#DEFINITION	Reference Metabolome for Bassia scoparia
#IDENTTFIER	RefMeta-Bassia scoparia.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Bassia scoparia
#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 Bassia scoparia was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77570	1.3
71.01003	0.4
71.01376	7.1
72.99306	2.1
73.02937	1.2
75.00868	15.3
83.01389	1.1
85.02945	9.5
86.00041	0.2
87.00864	1.5
87.34016	0.2
89.02434	1.7
95.01385	2.1
97.02924	0.2
99.00864	3.9
101.02430	2.2
111.00868	0.5
112.01657	0.3
113.02439	5.2
115.00346	0.6
116.35016	0.2
117.01917	0.6
119.03455	0.4
125.02371	0.2
129.01878	0.5
131.03490	0.5
139.00294	0.2
157.01392	0.4
161.00865	0.2
161.04597	0.3
166.72031	0.2
167.09451	0.2
175.02429	0.2
221.06680	0.3
247.70744	0.2
291.03897	0.3
354.68295	0.2
375.26926	0.3
391.26321	0.3
393.27930	0.9
395.29294	0.5
421.30933	0.9
435.29169	0.3
447.62500	0.3
451.32272	0.3
481.32901	0.6
497.32874	0.5
499.34271	13.9
500.34824	1.4
541.35291	1.4
553.35657	0.3
567.37134	1.2
571.32684	0.3
599.35968	0.7
613.37378	3.8
614.37396	0.3
615.35107	0.4
631.38300	0.7
652.56830	0.2
657.35999	0.9
675.37415	32.3
676.37811	3.5
775.42603	0.4
837.43243	2.6
837.93048	0.3
838.43616	0.4
879.44141	0.8
999.47974	100.0
1000.48273	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	995.6094
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62245	0.2
78.95898	16.2
92.36383	0.1
96.96953	0.7
122.00115	0.2
140.01167	1.9
152.99576	2.9
171.00620	2.9
196.03781	0.9
214.04837	2.9
261.22202	0.6
279.23251	100.0
280.23596	5.2
375.05814	0.2
402.24094	0.4
476.27765	65.8
477.28055	4.4
504.30884	0.2
945.07837	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.61
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09682	0.4
71.10008	0.4
78.95899	59.9
89.56719	0.3
96.96955	2.8
122.00100	0.7
122.33416	0.3
124.53209	0.3
140.01186	3.7
152.98331	0.6
152.99574	11.6
153.42500	0.3
171.00630	11.1
171.02094	0.6
196.03775	5.1
214.04831	0.9
279.23264	55.4
280.23544	2.6
301.53439	0.3
384.08224	0.3
402.24121	1.4
476.27777	100.0
477.28174	6.5
504.31122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	30.8
71.61102	1.0
72.98993	0.4
72.99297	4.5
73.02942	7.6
75.00868	19.1
81.03435	1.0
83.01370	4.7
85.02949	14.9
87.00839	1.9
89.01926	0.9
89.02440	15.4
95.00886	0.6
95.01381	6.6
96.95978	0.7
97.02956	2.3
97.03461	0.5
99.00876	14.0
99.39413	0.5
101.02439	15.4
103.00345	1.1
107.93286	0.6
109.02937	3.1
111.00854	1.4
112.01599	1.0
113.01714	0.9
113.02443	13.1
114.03194	0.7
117.01933	18.0
119.03478	3.6
130.65845	0.4
137.02429	3.2
139.00298	0.8
157.01382	0.9
161.00914	23.2
161.04500	0.7
184.06241	0.5
208.76076	0.6
375.26468	0.5
393.27893	0.5
481.32990	1.5
497.32629	5.9
499.09534	0.9
499.27408	0.8
499.34253	9.2
541.35370	1.2
549.35565	0.7
553.35522	0.7
567.36633	1.9
579.36774	1.9
581.34619	1.6
595.36072	2.0
613.37573	5.6
614.37958	0.9
619.35852	0.5
631.38409	1.3
637.37189	2.1
638.38123	0.5
657.36066	6.0
658.37006	0.6
675.36548	0.8
699.37482	1.4
773.33508	0.6
775.42969	0.6
799.34668	0.6
837.42688	100.0
838.42969	12.4
879.43781	89.4
880.44073	12.0
923.42517	3.1
981.43060	0.9
999.44318	69.7
1000.44684	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	979.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52702	0.7
71.01373	0.6
71.59787	0.1
72.99310	0.1
73.02957	0.1
75.00868	0.4
79.95261	0.2
79.95733	3.7
80.72555	0.1
80.96505	0.7
81.95313	0.1
83.01358	0.1
85.02937	0.3
87.00850	0.1
89.02461	0.2
94.98080	0.1
95.95229	5.0
96.96004	36.9
97.95933	0.1
98.20627	0.2
98.95583	0.7
98.96439	0.1
99.00882	0.1
101.02412	0.3
113.02413	0.2
122.97593	0.4
129.01962	0.1
138.97050	1.1
140.79938	0.1
141.95782	0.2
150.97052	0.6
152.08458	0.1
152.98611	0.2
156.60431	0.1
159.03027	0.2
164.98637	0.2
165.99977	0.1
168.98077	0.4
177.04033	2.7
178.04414	0.1
180.98050	0.5
194.99641	0.2
198.99135	0.5
213.00690	0.6
225.00740	0.7
241.00195	2.7
256.99698	4.0
258.00244	0.1
313.06003	0.2
387.16571	0.3
411.09802	0.1
465.14307	3.1
466.14618	2.4
467.15839	100.0
468.16211	5.9
469.16501	0.2
658.31891	0.1
890.16058	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91052	0.5
70.91364	0.7
71.01382	10.3
73.02944	1.9
83.01376	0.6
85.02946	2.8
87.00871	0.5
89.02445	7.5
93.03448	4.6
93.82035	0.4
95.01406	1.4
96.95989	2.1
101.02440	5.6
108.02184	1.0
109.02948	0.7
110.60612	0.5
113.02437	3.3
119.03496	3.1
121.02950	11.0
122.03732	14.6
123.00871	0.9
123.04497	1.4
124.01670	1.2
125.02474	0.5
129.38916	0.5
131.03500	0.5
132.02124	0.8
133.02940	2.4
134.03729	1.2
135.04520	5.9
136.01660	15.8
137.02460	3.1
139.04002	0.8
143.03503	0.6
147.04504	1.6
149.02438	27.0
149.06071	1.4
150.03215	86.2
151.00375	4.8
151.03999	21.4
152.01132	1.2
153.01932	0.8
153.05595	1.2
159.04510	1.0
160.05263	1.4
161.02472	0.8
161.04538	1.3
161.06013	1.2
162.03239	1.9
163.04045	2.2
164.04779	6.1
165.05556	83.4
166.02710	12.9
166.05795	2.3
167.03487	2.1
172.05382	0.7
173.06067	1.1
175.03989	3.7
175.07645	1.3
177.01912	0.8
177.05550	1.6
179.05605	2.9
179.06970	0.7
180.04280	4.4
181.05038	17.0
187.07538	0.5
189.05547	3.0
190.06323	6.0
195.06606	31.2
196.06940	0.7
203.07115	0.9
205.08655	1.7
206.05708	0.6
214.89227	0.5
259.74777	0.5
266.05792	1.0
278.05670	0.5
283.09805	0.5
294.05362	0.6
295.33963	0.5
297.07666	1.7
308.06918	0.5
309.07813	1.6
311.09061	0.7
314.04382	0.6
314.08081	0.6
315.05463	0.5
315.08719	2.2
324.09985	2.4
325.10638	1.1
326.11407	0.8
327.08414	0.7
327.12170	0.8
329.10342	3.4
339.08578	1.3
339.12332	2.6
341.10309	0.6
341.13977	0.7
342.10980	1.6
354.11087	1.0
355.12131	0.9
356.12653	1.5
357.09665	3.9
357.13452	5.2
358.09970	0.5
369.13693	3.4
372.12064	4.2
373.12650	1.5
386.13739	1.2
387.14490	26.9
388.14771	1.4
449.15454	1.5
490.16245	1.7
502.16287	0.5
505.18747	4.8
517.18658	1.3
519.18182	0.8
520.17358	1.1
531.18427	2.6
535.19690	36.9
536.19885	2.7
553.20160	0.7
565.20685	4.3
583.21802	100.0
584.22211	8.5
623.16156	1.4
625.23767	0.5
679.24359	0.9
697.24976	11.1
698.25397	1.6
727.26001	2.9
739.25836	2.2
745.27100	39.4
746.27704	4.0
787.28149	13.3
788.28577	1.8
1023.01910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81371	1.1
71.01373	0.6
71.02496	1.9
72.00897	2.0
73.04071	2.8
74.02469	6.3
75.00853	0.6
82.01717	1.3
82.02969	1.4
82.06622	0.7
83.02484	0.5
84.00912	0.7
85.02954	0.4
85.60786	0.4
86.02452	0.7
95.02528	0.4
96.96001	4.0
98.01194	0.4
99.01994	2.2
109.04028	0.6
110.01234	0.6
110.06109	0.5
111.01979	1.5
112.02771	1.4
112.07651	0.8
113.02451	0.5
113.07170	1.2
115.00379	2.1
115.08765	6.3
116.05054	14.1
117.05325	0.4
118.06606	1.6
125.06403	0.4
125.07206	4.3
126.09248	0.9
127.05107	2.5
127.08775	1.3
128.04611	0.4
129.10350	5.7
130.08730	1.4
136.01651	0.8
137.03574	1.0
137.07217	2.9
137.79585	0.4
138.05554	0.6
139.05180	0.6
139.08746	1.4
140.05954	0.5
140.07175	1.0
141.06691	3.7
141.10352	1.1
142.06613	4.2
143.08232	0.7
143.11890	3.1
146.06076	1.1
149.07153	0.5
151.03963	0.5
151.05090	1.4
151.08768	4.1
152.07138	0.8
152.08267	0.7
153.06685	12.0
153.10289	0.6
154.09837	1.6
155.08260	14.1
155.11916	1.0
156.06863	0.6
157.07687	0.9
157.09727	0.4
159.09265	4.9
163.08757	0.7
165.05443	0.4
165.06715	0.5
165.10367	0.7
167.08224	2.9
168.11404	1.5
169.09802	4.6
170.09338	13.1
172.10924	4.5
173.07132	1.1
173.09267	0.9
175.08739	1.4
179.04614	2.1
181.09784	1.2
182.09381	1.0
184.10872	1.3
186.05617	1.0
186.12471	3.2
187.05142	2.3
187.10863	4.7
189.06650	2.2
193.06122	0.9
195.11317	0.8
198.08820	1.5
200.14029	1.5
201.06653	1.5
203.08247	19.0
204.08545	0.6
206.09322	1.9
207.07765	0.7
210.08823	0.8
218.09305	0.8
224.10344	2.5
224.17679	0.6
227.11507	1.3
229.13107	0.8
244.12909	0.8
256.14502	1.4
263.07431	0.5
267.18188	1.4
272.17664	2.4
274.15488	1.2
279.18234	0.7
294.16019	0.6
299.15164	2.3
303.14758	0.5
311.20691	0.4
316.16589	4.5
317.16232	1.7
327.21625	0.9
329.19717	3.0
331.17767	0.5
343.19604	0.9
349.18860	0.4
353.16055	1.1
371.17212	4.8
373.18671	1.8
381.17874	0.7
394.31326	0.5
398.20425	0.7
428.26666	1.7
454.24408	0.7
472.25525	1.8
498.23422	1.0
510.23480	1.5
515.00885	0.4
525.24323	1.0
527.26147	6.8
528.26422	0.5
529.27795	1.0
571.28546	1.8
594.03137	0.4
624.24506	0.7
674.32825	3.7
718.35779	6.2
719.35889	0.7
800.31213	0.5
801.32251	0.9
882.41498	22.6
883.41791	3.1
908.43103	1.8
926.44092	100.0
927.44434	13.7
953.38373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.6
71.01378	2.4
72.99322	1.4
73.02928	0.3
75.00868	17.2
83.01387	0.6
85.02949	14.3
86.00079	0.3
86.94895	0.2
87.00889	1.3
89.67030	0.2
95.01384	2.2
96.96011	0.3
97.02927	0.3
99.00864	1.5
107.20721	0.2
111.00871	0.4
112.01638	0.7
113.02447	8.1
115.00346	0.5
116.01122	0.5
117.01920	0.5
129.01965	0.7
142.36218	0.2
150.50824	0.2
153.01895	0.5
157.01399	0.8
162.22446	0.2
170.70578	0.2
175.02469	0.3
199.22815	0.3
220.61444	0.2
231.50533	0.2
248.19260	0.2
299.05661	0.8
331.33356	0.2
393.28329	0.3
481.32986	0.3
497.32687	0.5
499.34259	4.8
500.34650	0.3
553.35321	1.1
555.33191	0.4
599.35895	2.2
657.35950	0.4
675.37433	100.0
676.37762	11.5
755.43536	0.2
981.93018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.5
71.01375	6.4
72.99292	1.9
73.02951	1.0
75.00867	1.7
76.97008	0.8
79.95731	33.4
80.96508	20.8
83.01376	4.8
85.02941	4.3
87.00865	9.1
87.04497	0.4
89.02438	1.7
91.63239	0.4
91.73661	0.4
94.98072	2.6
95.01371	0.7
95.95224	3.8
96.96002	100.0
99.00864	3.9
101.02442	3.3
103.00359	0.6
110.97572	1.4
111.00869	20.5
113.02455	2.7
115.00359	1.1
117.03432	0.6
120.96008	3.8
122.97544	0.5
127.00336	2.2
128.52652	0.4
129.01933	9.9
132.02196	3.1
133.02937	1.0
134.03729	10.4
135.04451	0.3
136.95518	0.9
136.99104	0.4
137.02400	0.5
138.97055	8.9
141.01877	0.5
149.06052	0.8
150.97052	0.5
154.96552	1.8
159.02991	4.6
160.01648	13.9
160.03006	0.7
161.02242	0.7
166.96521	1.5
167.00165	1.0
168.98001	0.4
175.03976	12.7
176.98625	0.6
177.04013	1.5
180.98064	0.6
182.96042	0.5
186.43614	0.4
190.96515	0.9
192.98055	1.2
193.05043	7.4
196.97470	0.5
210.99152	4.0
229.57188	0.5
235.29898	0.4
238.98637	25.0
239.98964	0.5
241.00211	8.0
247.64452	0.3
250.14284	0.4
256.99698	66.6
258.00021	1.4
259.01221	1.2
430.68198	0.5
463.19873	0.7
496.01923	0.4
528.77753	0.5
979.34735	79.8
980.35010	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	973.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.0
71.01382	19.2
72.99310	1.7
73.02934	3.2
75.00887	1.1
83.01370	2.0
85.02946	5.1
87.00893	4.1
89.01909	1.6
89.02442	21.3
95.01373	2.1
97.02937	3.8
99.00866	2.0
101.02438	17.6
113.02446	8.1
113.09717	4.6
119.03497	5.7
125.02447	7.4
131.03506	1.4
135.76477	0.8
143.03467	3.8
144.90738	0.9
146.10052	1.0
161.04512	3.6
167.10748	1.0
171.10231	1.1
179.05612	4.2
179.10777	1.4
195.13940	1.0
210.86711	0.8
221.06526	1.6
235.08243	7.6
249.22198	1.4
253.09193	1.0
275.20285	1.9
281.24826	64.8
282.25171	3.8
287.07715	2.9
293.21207	46.1
294.21576	2.5
305.08728	3.7
315.15671	1.0
323.09659	1.3
397.13477	100.0
398.13684	4.0
415.14545	28.3
421.83154	0.8
427.26227	1.0
467.77521	0.9
501.59836	0.8
589.21490	1.0
679.39362	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	975.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99810	1.3
71.01378	26.4
72.99299	8.6
73.02947	5.1
75.00863	15.7
79.95730	24.4
80.96514	14.7
83.01385	7.5
85.02946	15.8
87.00873	7.3
87.04505	30.0
89.02432	4.2
94.98066	2.3
95.01378	3.2
95.95222	2.5
96.96001	85.0
98.19794	1.5
99.00871	22.7
101.02433	10.6
103.00413	2.0
109.93623	0.9
111.00874	13.3
113.02448	12.8
115.00355	2.1
120.96033	2.6
129.01920	6.7
130.60539	1.1
138.97061	7.0
143.03490	1.0
157.01413	1.6
158.35677	1.0
159.03003	1.7
161.04474	1.7
166.96516	1.5
207.06906	1.0
210.99246	1.3
229.62106	1.2
235.17009	3.6
238.98680	12.6
241.00237	5.7
251.16451	1.7
256.99707	32.6
259.01312	5.6
264.51813	0.9
279.41510	0.9
295.93912	0.9
337.07639	1.8
358.18854	0.9
413.21777	5.5
475.62152	1.8
499.15710	1.0
636.66931	1.1
733.31464	1.1
895.37958	21.8
896.38702	3.2
900.37286	1.2
975.33734	100.0
976.34357	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	971.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.1
70.91676	0.7
70.92025	0.5
71.01379	16.2
72.99284	1.1
73.02952	3.1
75.00880	0.5
81.03440	0.8
83.01363	2.1
83.05001	0.5
85.02946	3.8
87.00865	3.9
89.02437	14.5
89.02992	0.7
95.01364	1.0
97.02931	2.7
99.00877	1.2
101.02438	13.8
109.02890	0.5
109.60903	0.4
111.04515	0.7
111.08152	0.5
113.02433	7.1
113.09715	0.4
115.03999	0.5
119.03481	4.8
121.02959	0.4
125.02425	5.8
129.05595	0.3
131.03500	0.8
133.05080	0.5
139.03937	0.4
143.03508	2.1
161.04523	3.6
167.03471	0.5
177.12718	0.3
179.05606	3.0
179.14436	0.7
195.13878	8.2
199.06081	0.4
205.12291	0.8
205.15923	0.7
211.13382	0.6
217.07065	0.6
218.62090	0.3
221.06578	1.3
221.15401	1.1
223.13370	5.9
224.13879	0.4
228.13611	0.7
235.08183	7.5
236.10501	1.0
239.13026	0.3
245.06601	0.6
253.09312	1.7
256.13092	1.6
263.07422	0.4
263.86353	0.3
275.20139	5.0
277.09247	0.3
279.23257	49.4
280.23669	2.4
287.07693	2.6
293.21194	100.0
294.21500	4.6
305.08673	3.1
323.09741	0.6
379.12299	0.6
397.13452	78.9
398.13818	3.2
415.14526	25.3
416.14877	1.0
677.37579	5.8
678.37427	0.5
712.27142	0.3
887.06799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03485	0.3
69.53551	0.8
69.53982	1.0
71.01373	3.0
72.99306	4.7
73.99636	0.3
75.00870	8.8
76.01218	0.5
81.03469	0.4
83.01385	0.2
85.02946	2.5
87.00883	0.4
89.02435	1.6
93.03452	4.5
95.01399	0.9
95.05006	0.5
96.96031	1.1
97.02975	0.5
99.00869	0.3
101.02455	1.0
105.03483	0.5
108.02187	0.8
109.02942	1.5
111.00888	0.4
113.02462	2.4
115.00375	0.8
116.98302	1.6
119.03503	0.9
121.02956	5.5
122.03733	14.5
123.00877	0.6
123.04522	0.9
124.01670	0.8
125.02454	0.4
133.01443	0.6
133.02934	1.6
134.03748	1.3
135.04552	1.1
136.01643	4.4
137.02435	4.5
137.06053	0.4
138.03163	0.4
139.00291	0.4
139.04030	0.3
143.03500	0.3
145.02957	0.6
146.03705	1.3
147.04477	0.4
149.02431	22.8
149.05978	1.2
150.03214	100.0
151.00383	1.9
151.04007	9.2
152.01102	0.4
152.04747	0.9
153.01909	0.6
161.02438	0.6
161.06142	0.3
162.03236	2.2
163.03929	0.4
164.04774	4.3
165.05551	92.9
166.02705	6.8
166.05859	2.9
167.03465	1.0
175.04002	0.8
176.04721	0.3
177.01920	0.9
177.05563	2.1
178.02733	0.5
179.03513	0.9
179.05602	0.6
179.07082	4.2
180.04262	6.2
181.05048	9.1
182.05347	0.3
184.03789	0.5
187.03966	1.0
191.03563	0.3
192.04323	0.4
193.05081	0.8
195.06606	52.7
196.06937	1.5
204.04385	0.4
205.04984	2.1
206.05807	0.5
207.06595	0.4
219.06598	1.1
220.07323	1.1
225.07692	0.5
282.05347	0.3
297.07269	0.3
308.01404	0.2
314.04370	0.3
315.08755	0.5
329.10318	0.9
355.11954	0.3
369.13574	0.3
371.11435	0.3
372.12094	0.9
373.12915	0.8
386.13364	0.4
387.10507	0.6
387.14713	2.9
402.13095	1.0
403.13995	0.8
416.14539	0.4
417.15515	6.9
418.15875	0.3
421.14896	1.4
471.34485	0.3
472.34949	0.4
473.35565	0.3
535.16339	0.9
550.18439	0.7
564.19501	0.5
565.20721	13.4
566.21191	1.2
577.20453	0.4
583.21466	0.3
585.37671	0.4
586.38538	0.6
587.38757	0.7
595.21747	2.2
596.21698	0.4
613.22815	8.6
614.23138	0.9
619.21503	0.4
645.38135	0.3
647.37268	0.3
648.66376	0.3
649.38745	0.4
667.23810	1.5
685.24463	0.3
696.64679	0.3
713.25983	1.8
725.26154	0.8
743.27179	2.0
761.28131	13.0
762.28186	1.9
773.27917	0.9
791.29077	3.5
792.29767	0.4
807.43488	0.3
809.30127	18.6
810.30310	2.5
810.43750	1.4
811.43939	2.2
867.43707	0.4
868.43292	0.4
869.44135	1.8
911.42712	0.4
923.33209	0.4
926.44458	1.1
927.45203	3.6
951.60669	0.3
970.44104	0.4
971.44714	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	969.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01849	0.5
68.99808	0.8
71.01386	7.8
71.39497	0.9
72.99303	10.6
73.02935	1.2
75.00866	34.7
83.01373	1.7
85.02945	17.9
87.00880	2.6
89.02428	1.6
95.01367	2.5
96.95953	0.5
99.00860	2.8
101.02421	1.3
101.32597	0.5
103.00362	0.5
109.72703	0.5
113.02441	9.4
115.00336	2.1
116.98297	3.4
117.01942	0.9
129.01898	0.6
131.03500	0.7
133.01402	1.2
161.04596	1.1
166.13350	0.5
172.32004	0.5
360.36517	0.8
392.80966	0.6
423.32623	0.7
461.26044	0.5
465.34082	0.6
469.33124	14.0
470.33401	1.8
511.34274	1.2
569.34717	0.6
583.36700	2.7
585.37524	1.6
599.36047	0.9
601.37415	0.7
645.36340	41.3
646.36810	4.6
647.37622	1.0
687.37488	0.8
805.43262	1.4
809.43170	6.7
810.44250	0.8
849.42273	0.9
867.43689	3.2
868.43542	0.6
924.42993	0.6
925.43866	6.8
926.44739	1.7
969.46802	100.0
970.47070	18.2
970.66779	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37351	1.1
71.01386	0.8
72.99318	0.9
75.00858	1.6
75.10731	0.2
81.03487	0.4
85.02955	0.6
89.02444	0.4
93.03454	4.4
95.01395	0.8
95.05031	0.7
96.95991	0.5
105.03475	0.4
107.05064	0.4
108.02174	0.9
109.02937	2.3
111.00844	0.4
113.02482	0.4
116.98325	0.4
121.02146	0.3
121.02944	8.0
122.03732	14.7
123.00856	0.6
123.04590	1.4
124.01649	0.7
132.02167	0.9
133.02959	2.4
134.03729	4.2
135.04535	1.7
136.01648	6.4
137.02434	6.3
138.03220	1.0
139.00377	0.6
139.03978	0.6
145.02939	1.1
146.03711	2.6
147.04529	1.1
148.01651	0.5
149.02432	30.2
149.06052	4.1
150.03209	100.0
151.00365	2.7
151.04001	14.6
151.07375	0.3
152.01131	1.0
152.04807	1.3
153.01898	0.6
153.05563	0.9
159.04541	0.4
161.02441	1.3
161.06053	1.3
162.03221	1.5
163.03999	0.8
164.04774	7.1
165.05550	84.0
166.02698	8.7
166.05797	1.8
167.03481	1.1
173.02414	0.3
175.03973	1.2
176.04675	0.5
177.01944	0.8
177.05573	3.1
178.02747	0.6
179.03455	1.1
179.07109	6.9
180.04260	5.5
181.05043	11.5
184.03752	0.6
187.03986	1.1
190.02742	0.5
190.06384	0.9
191.03412	0.7
192.04237	0.7
193.05037	1.0
195.06598	30.9
196.06908	0.9
199.34259	0.3
202.06253	0.3
204.04257	0.4
205.05035	3.5
205.08728	0.4
206.05711	0.3
207.06572	1.1
219.06558	1.3
220.07329	2.5
221.08081	0.4
225.07664	0.3
233.08000	0.3
235.09628	0.4
282.05231	0.4
297.07718	0.3
314.07852	0.4
315.08649	1.0
320.89944	0.3
325.07065	0.4
329.10281	1.1
339.08450	0.3
369.13474	0.5
372.12250	0.4
373.12457	0.4
377.94113	0.3
386.13852	0.5
387.10599	0.9
387.14920	1.8
401.12244	0.4
402.12985	1.3
403.13751	1.0
416.14554	0.5
417.15442	5.9
418.15714	0.5
421.15027	0.4
433.38589	0.3
456.12958	0.3
471.16510	0.6
505.14938	0.4
520.17590	0.7
535.16534	1.2
549.16986	0.7
550.18152	1.3
551.19189	0.6
564.19696	1.7
565.20709	16.4
566.21051	1.6
583.21301	0.3
594.21155	0.4
595.21692	3.0
612.21942	1.2
613.22815	10.3
614.22845	0.9
619.21570	1.4
667.23297	1.6
685.25562	0.3
713.25922	12.0
714.26410	1.1
725.25214	0.4
727.90350	0.4
743.27094	7.7
744.26984	0.7
761.28094	17.5
762.28644	2.3
773.28418	2.4
791.29114	5.9
792.29559	0.7
809.30157	24.7
810.29987	2.6
810.43036	0.5
811.43439	0.4
926.45709	0.4
927.44110	0.6
971.46979	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01872	1.0
68.99809	2.1
69.58296	1.2
69.58680	4.1
71.01377	10.8
72.99301	55.5
73.02929	0.6
75.00866	100.0
79.95731	9.0
80.96527	1.2
81.03435	1.0
81.25999	0.7
83.01389	1.9
84.02172	1.0
85.02945	24.3
86.00069	0.6
87.00875	3.5
89.02442	1.8
95.01377	4.2
96.96002	13.8
97.02962	1.9
98.20627	0.7
98.95629	0.7
99.00876	6.0
99.04529	0.8
100.07021	0.6
100.98797	0.9
101.02428	1.2
103.00354	1.0
109.02946	2.6
111.00877	3.3
112.01653	1.5
113.02443	12.4
115.00359	9.5
116.98294	23.4
117.02004	1.1
125.02411	1.0
129.01910	1.8
130.99834	1.4
133.01419	7.6
138.97037	0.7
139.00348	1.0
153.01898	3.5
157.01428	0.9
158.99356	1.6
165.05547	0.7
174.98801	2.0
187.76479	0.7
193.05043	1.0
233.03020	1.2
238.98720	2.2
256.99689	3.4
284.36887	0.7
291.03500	3.1
313.44070	0.7
348.20053	0.7
358.47220	0.7
360.09845	16.0
360.60059	5.9
361.09839	3.1
361.60089	0.8
437.84424	0.6
453.33887	1.2
463.19824	2.0
469.33014	1.0
471.34772	9.0
513.35760	4.2
525.35876	0.7
560.04565	0.9
571.36768	0.8
585.37933	16.2
586.38062	1.4
629.37000	3.0
641.24689	1.1
643.38470	6.2
647.38074	9.3
763.38965	1.0
767.00226	0.8
782.61926	0.7
791.42053	2.1
805.43530	8.8
806.43860	0.8
809.43207	45.2
810.43402	6.2
815.26556	2.0
849.42511	6.4
865.42303	1.3
867.43744	28.9
868.43671	3.9
897.44464	1.2
909.41296	4.6
910.41528	1.0
925.44305	55.2
926.44983	6.9
969.43359	32.6
970.44147	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	969.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	2.5
68.99818	3.5
69.03448	2.4
71.01375	15.5
72.99303	49.2
73.02945	5.9
73.99640	1.3
74.79229	0.7
75.00867	100.0
76.01244	1.7
77.01304	0.9
79.95749	2.2
81.03452	1.5
83.01376	2.9
84.02157	1.2
85.02943	33.0
86.03307	1.0
87.00861	4.4
89.02432	3.4
95.01375	8.2
96.96002	4.9
97.02940	3.8
98.19834	1.6
99.00866	7.9
99.04488	0.8
101.02428	2.1
103.00359	4.9
109.02901	3.5
111.00868	4.9
112.01663	2.3
113.02435	21.6
114.03218	2.2
115.00364	6.1
116.98293	14.3
117.01935	20.1
125.02425	1.1
129.01959	1.9
130.99850	6.9
133.01414	3.9
137.02417	1.3
139.00375	1.7
153.01945	1.0
156.93011	0.8
157.01373	1.5
158.99438	1.0
161.00900	13.3
161.63449	0.7
175.02544	0.8
291.03412	1.0
337.03998	1.4
352.07028	0.7
391.81256	0.7
427.85037	0.8
465.34741	0.7
467.31555	1.2
469.33081	7.6
470.33536	1.1
471.34811	2.3
511.34293	2.6
512.33716	0.8
549.35284	0.8
565.35718	1.3
583.36304	5.4
584.36273	1.1
585.37683	2.6
601.38086	1.0
625.37231	1.7
626.37695	1.1
629.36908	1.3
643.38385	2.7
645.36279	4.8
646.36804	1.6
647.37427	3.9
687.37567	3.1
747.43829	1.1
763.39130	2.7
790.61053	0.9
805.44214	3.9
807.41620	41.5
808.41913	8.0
809.43170	22.2
809.58569	0.9
810.43433	3.6
837.43152	2.8
838.43170	1.5
849.42688	72.7
850.43103	11.8
866.42603	1.0
867.43542	13.5
868.43585	2.4
893.41034	1.9
897.44550	1.2
909.40887	2.2
925.44104	27.0
926.44263	3.6
939.42639	3.6
940.42212	4.6
941.46027	2.9
947.08722	0.8
953.44421	1.7
954.45496	1.7
969.43311	67.9
970.43445	12.3
997.43054	1.5
998.43427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01911	0.6
68.99813	0.5
69.95131	1.3
71.01381	2.7
72.99303	100.0
73.99667	0.6
75.00869	75.5
76.01227	0.5
83.01382	0.6
84.02156	0.3
85.02947	11.7
87.00871	1.3
89.02460	0.5
95.01364	1.6
97.02941	0.3
99.00877	2.8
103.00367	25.2
111.00909	0.5
113.02443	4.8
115.00385	0.5
117.01904	0.4
121.44781	0.2
129.01897	0.3
130.99854	57.7
132.00188	0.8
157.01395	0.7
159.02962	0.4
188.94447	0.3
287.55075	0.2
298.16248	0.3
307.03067	0.7
499.34473	2.1
541.35205	1.0
613.37469	3.7
614.37500	0.5
651.59442	0.3
675.37268	2.9
837.42700	27.2
838.43048	3.8
893.41669	0.8
969.43280	67.4
970.43597	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	969.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.8
68.99825	2.6
69.03510	1.9
69.53791	1.8
69.64915	1.6
71.01376	14.8
72.99305	55.2
73.02950	3.4
73.99638	2.4
75.00870	100.0
79.95731	4.8
80.96524	2.3
81.07343	1.9
83.01389	3.6
85.02950	30.6
87.00883	4.0
94.91295	1.7
95.01370	5.4
96.95998	14.8
97.02966	4.3
98.19791	3.2
99.00881	8.5
103.00358	6.3
111.00855	3.7
113.02429	17.0
114.02740	1.9
115.00361	7.7
116.98286	15.6
117.01915	7.5
119.03452	2.1
129.01955	3.0
130.99847	12.1
133.01408	5.4
134.03787	2.0
161.01001	3.0
207.54965	1.7
219.42638	1.7
229.96063	2.8
583.59479	2.0
631.37592	2.7
643.38538	3.4
643.49469	1.9
647.37903	6.6
683.73334	1.8
763.38556	4.2
791.42102	2.6
805.43658	3.5
807.41125	13.4
808.42151	2.8
809.42773	19.3
821.58948	2.0
837.43323	3.1
849.42688	19.4
850.43127	4.0
867.43250	15.8
925.43927	26.9
926.44775	4.9
945.95062	2.1
953.43817	3.9
969.43121	46.4
970.44446	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	968.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02960	2.0
71.62451	0.7
71.62875	0.6
72.00882	2.1
72.04533	0.8
72.19675	0.6
73.04037	1.2
74.02473	10.5
75.00845	1.8
81.23705	0.6
82.02978	1.9
83.02500	1.7
84.00880	1.3
85.02921	1.6
96.96001	1.1
97.00408	2.8
98.01187	2.2
98.02465	5.7
99.02003	1.4
110.01215	2.0
110.06050	0.7
111.00860	2.3
111.01981	1.7
112.02772	5.1
112.07674	1.4
113.03559	1.4
116.05055	30.9
116.07134	0.7
117.05405	0.9
118.06609	8.9
125.03568	10.7
125.07279	0.7
126.09142	0.8
127.05164	1.0
128.03528	0.7
129.10335	5.5
130.06589	1.0
130.08728	2.9
135.05620	0.8
137.07181	1.2
137.10690	0.6
139.08736	1.7
141.06691	56.0
142.06578	6.6
143.11871	4.0
148.17343	0.5
151.08751	1.8
152.07147	1.0
153.06653	1.8
155.03297	1.8
155.08255	44.3
156.08626	1.3
157.07646	0.9
159.09285	4.0
165.10353	1.7
167.08267	1.0
169.09818	8.1
172.10884	2.5
173.07152	1.4
174.09210	0.8
179.04617	10.4
179.08109	0.9
181.09779	2.4
186.05566	2.3
186.12477	1.0
187.05098	4.6
187.10835	6.2
193.06126	1.0
198.08772	3.6
199.07283	1.2
199.08727	2.3
200.07144	1.1
200.14055	0.6
203.08240	31.7
204.08524	1.0
206.09193	0.9
207.07706	4.0
207.14958	1.5
209.09242	1.2
213.08740	2.1
215.08217	2.0
217.09790	15.9
222.08698	0.8
224.10312	1.3
243.07730	7.5
244.08449	1.0
250.15584	2.9
270.15924	0.7
272.17642	1.4
276.17233	0.9
282.13281	1.5
298.15509	0.9
316.16614	7.2
325.18787	2.7
326.15076	1.9
337.18500	0.9
342.14529	1.9
369.17773	6.6
411.19000	1.7
425.18246	7.4
443.79471	0.6
451.16260	1.3
454.24493	2.7
498.23532	65.4
499.23932	5.0
524.25201	8.1
525.25006	0.7
537.99335	0.7
542.26129	100.0
543.26459	9.8
597.26495	1.6
599.28540	0.8
613.20642	0.7
613.29553	0.9
641.29303	24.8
642.29907	2.1
716.34277	1.7
760.37195	3.4
761.37085	0.9
793.43243	1.0
916.77393	0.7
924.42517	0.9
925.42590	0.7
943.47345	0.7
950.43933	0.7
968.45343	8.1
969.45135	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	967.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01896	1.0
68.99814	1.9
69.03456	1.6
70.76794	1.1
70.77126	0.6
71.01380	11.8
72.99303	53.4
73.64506	0.5
73.99653	0.5
75.00868	100.0
79.95752	1.5
80.96517	1.2
81.03434	0.6
83.01391	2.5
84.02173	0.7
85.02943	23.4
87.00876	3.3
89.02440	2.8
95.01363	2.4
96.96001	6.1
97.02948	2.4
98.95621	0.8
99.00886	6.2
99.04499	0.7
101.02466	1.5
103.00378	1.6
109.02959	1.9
111.00880	2.5
112.01672	1.2
113.02445	14.4
115.00362	9.7
116.98295	23.8
117.01948	1.4
125.02464	1.4
129.01984	2.0
130.99878	1.7
133.01440	6.5
133.02959	2.2
134.03600	0.9
135.04556	1.6
153.01991	1.0
157.01476	1.5
158.99377	1.2
161.02409	6.4
161.03503	0.5
161.22542	0.5
162.02754	1.2
174.98848	1.7
175.02475	1.2
179.03452	0.8
233.03023	0.9
256.99719	1.8
291.03589	2.6
334.36926	0.6
345.06458	0.6
468.26144	0.6
469.33154	10.5
470.33755	0.8
497.33200	0.6
511.34406	3.9
569.35449	1.9
583.36328	18.9
584.37177	2.0
601.37982	0.7
627.35303	5.1
641.36768	8.1
642.37445	0.7
645.36316	14.5
646.37152	2.1
687.37817	0.8
761.37378	3.5
789.41766	1.7
803.42212	6.0
804.43390	0.9
807.41632	41.8
808.42310	4.9
835.42944	0.5
847.40894	6.8
863.41498	1.8
865.42181	28.1
866.42529	4.2
894.46674	0.5
895.44604	0.7
907.39539	4.7
908.40704	0.8
923.42731	48.4
924.43073	7.0
929.74811	0.6
967.42493	30.6
968.42010	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	967.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76446	4.2
71.01379	21.0
72.99278	1.3
73.02927	1.5
75.89628	0.9
83.01364	0.9
85.02946	5.4
89.02444	15.8
93.03451	3.6
95.01363	1.7
96.96009	2.8
101.02441	10.2
113.02457	5.6
114.47302	0.9
119.03506	5.3
121.02948	7.3
122.03735	11.8
123.00846	1.5
133.02953	2.5
134.03712	2.2
135.04514	4.4
136.01662	9.8
137.02415	1.9
138.03206	1.0
139.00374	0.9
143.03450	1.7
147.04533	1.2
149.02428	23.9
150.03212	85.3
151.00388	1.7
151.04005	12.7
153.01913	2.1
153.05548	1.4
160.05344	1.5
161.04532	1.9
162.03252	0.8
163.03934	1.7
164.04793	6.3
165.05554	83.8
166.02699	7.3
166.05818	1.9
167.03439	2.2
175.03926	2.2
177.05524	1.0
179.05600	5.0
180.04288	5.8
181.05058	12.0
187.03922	1.2
189.05548	2.2
190.06329	3.3
193.04965	1.0
195.06596	25.9
196.06839	1.0
203.07068	1.3
205.08646	1.4
207.06659	1.1
266.05972	1.1
293.07703	0.9
297.07788	1.2
309.07739	1.4
314.07816	0.9
315.09045	1.2
324.09811	2.0
329.10175	2.1
339.12320	5.0
355.11948	1.2
356.12439	1.1
357.09521	1.9
357.13443	4.1
369.13400	3.8
372.12091	2.4
387.14471	14.1
394.55032	1.2
449.15985	2.1
467.38470	1.3
505.18790	4.6
517.18365	1.7
531.17975	1.8
535.19745	21.1
536.19757	2.6
565.20599	2.9
583.21783	73.1
584.22101	6.8
676.47815	1.2
697.25000	19.1
698.25354	1.3
715.26196	1.4
727.25433	1.2
745.27075	100.0
746.27319	12.7
875.91510	1.0
967.31183	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	5.6
72.99310	1.1
73.02962	0.7
75.00851	0.8
79.95733	14.3
80.96510	9.6
83.01382	2.2
85.02955	3.0
87.00867	4.0
89.02459	1.5
94.98086	1.2
95.01409	0.9
95.95237	1.3
96.96001	51.7
99.00889	1.8
101.02439	3.2
105.03436	0.6
107.05022	0.5
111.00868	8.4
113.02453	2.4
115.00362	1.1
117.03472	1.9
119.03504	0.9
120.96014	2.1
127.00365	1.6
129.01932	4.4
132.02162	2.1
133.02945	36.8
134.03781	2.2
135.04512	26.5
136.95569	0.7
137.02431	0.9
138.97058	4.8
146.42790	0.4
154.96591	1.3
159.02908	1.3
161.02429	100.0
162.02760	2.7
165.05544	0.4
166.96498	0.7
167.00189	0.5
177.04060	0.7
178.02568	0.6
179.03479	14.5
182.95837	0.5
195.06648	0.6
208.08299	0.5
210.99181	1.8
221.34346	0.4
238.98634	11.3
241.00229	3.5
256.99698	34.5
257.99918	0.5
259.01328	2.4
426.08578	0.5
463.20190	0.9
540.93921	0.4
543.26886	0.5
561.29340	0.6
707.32617	0.5
782.10883	0.6
803.30389	1.3
839.44836	0.5
885.37518	2.0
886.36670	0.7
955.13336	0.6
965.33118	77.9
966.33441	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	967.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	17.9
72.99297	1.8
73.02959	1.2
85.02926	4.1
85.44192	0.9
87.00877	2.2
89.02436	16.7
93.03439	4.5
95.01371	1.9
96.96024	3.2
98.27955	0.8
101.02438	10.4
108.02193	1.7
109.02974	1.4
113.02473	6.6
119.03500	5.8
121.02944	7.6
122.03732	12.5
123.00787	0.9
123.04544	1.4
128.22075	0.8
133.02937	1.9
134.03697	1.6
135.04578	5.5
135.05435	1.1
136.01643	11.3
137.02414	1.7
138.03226	0.8
147.04443	1.1
149.02435	27.1
149.06056	1.4
150.03212	96.7
151.00357	2.8
151.03993	16.9
153.01912	2.6
153.05566	1.3
154.02518	0.8
160.05278	1.6
161.02405	1.9
161.04526	1.4
162.03185	1.5
163.03986	2.2
164.04778	7.1
165.05551	91.9
166.02698	8.8
166.05885	2.0
167.03470	2.3
172.05449	0.9
173.06117	0.9
175.04008	3.1
175.07750	0.8
177.05495	1.2
179.05579	4.3
180.04292	6.7
181.05032	13.9
189.05560	2.2
190.06389	4.6
191.03554	0.8
193.05019	2.2
195.02930	0.9
195.06610	26.2
197.22781	0.8
201.84863	0.7
203.07074	1.3
205.08698	1.1
207.06532	1.0
221.08192	1.1
271.09818	0.9
282.05078	1.0
294.05234	1.3
297.07584	1.0
301.41077	0.7
309.07599	0.8
313.10840	0.8
315.08746	1.8
324.09903	1.8
325.06970	0.9
325.10699	0.9
329.10046	1.8
339.08624	0.9
339.12256	3.7
340.13223	1.0
341.13977	1.1
342.11118	1.5
357.09662	1.6
357.13391	5.4
367.57220	0.9
369.13696	3.7
372.12082	2.8
387.14435	17.2
449.15811	1.4
461.15820	1.0
490.16144	1.2
505.18747	5.5
517.18787	1.7
531.18701	2.0
535.19659	23.8
536.19843	1.9
565.20679	2.6
583.21765	95.7
584.22058	9.4
585.28217	0.9
697.24878	17.8
697.36163	1.2
698.25330	2.0
727.26068	1.7
745.27057	100.0
746.27350	12.4
967.32104	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	965.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	5.5
72.99306	1.5
73.02929	1.1
73.62788	0.6
75.00874	2.0
79.95734	16.6
80.96510	9.6
83.01379	2.1
85.02958	3.6
87.00853	4.0
89.02435	2.7
94.98080	1.0
95.01387	0.6
95.95238	2.0
96.96003	48.7
99.00887	2.1
101.02446	2.9
109.76604	0.5
111.00880	8.3
113.02448	3.2
115.00358	0.8
115.01839	0.6
117.03471	2.3
118.64278	0.5
119.03503	1.4
120.20946	0.5
120.96015	1.8
127.00328	1.3
129.01901	4.0
132.02174	1.8
133.02943	32.4
134.03764	0.7
135.04547	7.1
136.95508	0.6
138.97075	4.5
159.02965	1.6
161.02431	100.0
162.02783	3.2
168.64812	0.6
177.09196	0.6
179.03479	3.7
192.98111	1.0
210.99178	1.5
238.98650	11.0
241.00208	3.8
256.99710	36.7
257.99963	1.0
259.01227	2.6
561.29260	0.8
640.16095	0.6
774.11078	0.7
775.01196	0.7
799.79248	0.6
803.29810	1.4
839.68292	0.6
885.38373	2.5
965.33142	63.1
966.33636	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	959.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65213	0.6
71.01377	0.6
72.99319	0.1
73.02931	0.1
75.00864	0.1
79.95729	2.1
79.96185	0.1
80.96505	0.8
83.01385	0.2
85.02946	0.3
85.25819	0.1
87.00880	0.2
89.02434	0.2
95.94717	0.1
95.95226	2.4
96.96001	37.1
98.20583	0.2
98.95557	0.1
101.02441	0.4
105.03095	0.1
106.13255	0.1
122.97578	0.4
129.01895	0.1
138.97079	1.0
150.97069	0.7
152.98697	0.1
164.98587	0.2
168.98071	0.2
177.04010	0.9
180.98126	0.4
193.05064	0.2
198.99179	0.4
213.00587	0.1
225.00748	0.4
241.00189	2.2
256.99701	1.0
382.84244	0.1
395.10620	0.1
449.14453	0.2
450.15146	0.2
451.16367	100.0
452.16714	6.3
453.16089	0.2
959.34613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	1.5
71.63250	1.1
72.04753	0.7
79.95759	1.0
83.01396	2.2
87.00851	0.8
89.03960	0.7
93.78758	0.7
96.96004	8.1
98.95605	1.1
101.03967	0.7
107.01385	3.0
108.02187	0.7
111.04421	0.7
121.58493	0.6
125.02415	0.9
132.02173	7.7
133.02934	1.7
134.03734	6.9
135.04500	1.1
145.02997	1.3
151.00360	13.9
152.01146	0.8
155.04967	1.3
160.01648	24.1
161.02408	5.4
163.00357	0.9
164.01131	0.8
169.01414	0.9
169.02908	1.0
171.04453	1.6
175.03990	17.8
178.99834	3.4
183.04526	2.6
185.02466	0.9
187.04005	1.2
193.05069	4.3
199.03989	9.4
201.01974	1.9
202.02689	0.8
203.03557	0.9
214.02715	0.9
215.03485	4.8
226.02740	0.9
227.03490	10.2
242.02193	7.4
243.02953	40.2
244.03468	2.0
253.01343	0.8
255.02946	18.8
256.03409	1.1
257.04572	6.1
270.01657	7.2
271.02451	59.2
272.03070	3.6
284.03372	0.8
285.04004	12.0
286.04865	5.4
287.05621	1.9
298.01163	1.2
299.01950	100.0
300.02631	26.5
301.03430	1.2
313.03537	9.7
314.04300	87.3
315.05029	39.2
316.05545	2.0
328.05655	1.1
329.06424	1.0
339.04926	1.4
453.18005	8.2
454.18304	2.7
455.18207	2.2
509.16965	2.3
605.15613	1.0
645.19525	0.9
715.84949	0.8
767.20215	7.6
768.19971	0.9
780.04553	0.7
785.21472	19.3
786.22137	1.0
799.22870	1.6
961.26105	74.9
962.26385	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	961.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01874	1.1
68.99810	1.2
69.03455	0.7
71.01376	12.1
72.99303	5.8
73.02920	1.1
75.00871	10.6
77.56231	0.7
77.81721	0.6
80.28860	0.8
83.01372	3.5
84.38172	0.6
85.02950	10.3
87.00861	1.1
89.02440	6.9
95.01373	5.0
96.96014	2.3
97.02962	1.2
99.00890	5.5
101.02421	0.9
111.00894	8.0
113.02442	6.0
115.00388	1.0
116.98323	1.1
129.01904	2.1
139.00356	3.3
140.33501	0.7
229.96820	1.0
237.85571	0.7
453.33466	0.8
455.35132	3.1
497.36087	1.8
551.37158	2.1
569.38074	3.4
570.38843	1.0
613.37347	1.0
701.42889	2.4
760.46954	1.0
763.43018	2.9
837.43103	1.3
838.43335	0.8
925.47955	100.0
926.48224	18.4
927.47437	1.0
953.44891	1.8
997.42871	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	955.453
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	3.8
68.99803	1.8
69.03441	2.8
70.46972	2.7
71.01378	12.6
72.92534	0.8
72.99298	9.0
73.02945	7.6
75.00870	61.5
81.03428	1.5
81.36311	1.0
82.02888	1.0
83.01388	3.2
85.02945	27.4
87.00855	3.7
89.02428	1.9
93.03455	1.7
95.01383	8.3
97.02941	3.8
99.00890	5.1
101.02422	1.7
109.02941	2.2
111.00899	6.3
112.01666	2.3
113.02448	13.6
114.03230	2.7
115.00348	2.2
116.98296	1.7
117.01935	33.7
123.00851	1.4
129.01949	1.5
137.02403	1.9
139.00334	3.9
152.67892	0.9
157.01323	1.2
161.00914	24.0
192.40083	0.8
193.05443	0.8
197.00681	0.9
199.02348	0.9
265.93149	0.8
337.04114	1.5
407.32910	1.0
437.34125	1.4
453.33624	2.6
455.35214	12.4
456.35284	1.3
483.34824	1.5
497.36020	5.5
509.36252	1.2
551.37164	2.8
569.38391	9.3
570.38678	1.4
593.38208	1.1
611.39288	3.0
613.37299	1.5
629.40442	1.2
631.38275	7.7
673.39655	2.8
766.75171	1.0
793.43823	54.8
794.43768	10.2
795.44568	2.5
835.44745	100.0
836.45148	12.8
879.43951	1.6
911.44727	2.7
954.43860	1.5
955.45294	91.8
956.45343	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	955.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99806	3.1
69.33134	2.2
70.07276	2.3
71.01376	50.9
71.41536	3.8
72.21076	2.0
72.99302	10.8
73.02950	12.1
75.00867	38.1
83.01389	5.2
84.22411	2.0
85.02939	21.1
87.00846	2.5
89.02439	22.4
95.01379	8.6
96.95989	3.4
97.02935	4.2
99.00878	18.4
101.02420	17.2
108.99514	2.3
109.02927	2.9
113.02439	19.3
117.01180	2.4
117.01938	22.6
119.03487	7.6
129.01805	2.3
137.02477	3.9
161.00916	24.3
233.97935	2.0
287.04443	2.3
453.33591	7.9
455.35397	10.2
493.05524	2.4
569.38428	5.6
593.38031	3.8
613.37561	3.8
655.38855	3.2
793.43677	93.6
794.44476	12.7
835.44830	84.5
836.45215	11.2
955.45355	100.0
956.46075	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	955.4898
Annotation	Sandrosaponin X
Peak:m/z	Relative Intensity
67.01881	0.9
67.74389	0.5
68.99811	0.7
70.19512	0.9
70.19908	1.2
71.01382	6.2
72.99310	3.0
73.02937	1.0
75.00869	23.7
83.01437	0.5
85.02947	13.8
87.00854	1.7
89.02418	1.5
92.73457	0.5
95.01401	2.5
96.95995	2.5
97.02915	0.6
99.00870	2.2
101.02428	1.8
113.02441	5.7
115.00368	0.6
116.33123	0.5
117.01959	1.0
121.60246	0.5
129.01952	0.5
131.03514	0.7
158.57932	0.5
161.04547	0.7
243.42419	0.5
407.33060	0.9
437.34164	1.2
455.35205	18.3
456.35455	1.7
486.77469	0.5
497.36340	2.5
509.36554	0.7
555.36798	0.9
569.38202	3.1
571.37061	0.6
613.38129	0.7
631.38446	43.6
632.38818	6.3
634.43652	0.6
955.48981	100.0
956.49249	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01893	0.5
68.99829	0.7
69.03456	0.5
71.01379	5.5
72.99300	100.0
73.99625	0.5
75.00864	73.6
76.01213	0.4
79.95713	0.5
80.78866	0.3
83.01377	1.0
85.02941	15.0
86.30766	0.3
87.00855	1.6
89.02441	2.3
95.01375	2.3
96.96004	3.7
97.02935	0.3
99.00870	3.3
101.02439	1.1
103.00363	25.4
104.00633	0.4
112.01653	0.5
113.02442	8.8
115.00337	0.6
116.01128	0.9
117.01891	0.5
119.03496	0.4
119.04984	0.4
129.01924	1.0
130.99850	47.3
132.00194	0.6
141.01903	0.3
150.03191	0.9
153.01866	0.3
157.01385	1.0
165.05573	0.4
175.02493	0.5
307.02832	0.7
441.33603	0.8
465.29636	0.4
467.31726	0.6
470.17270	0.3
485.32651	5.1
486.33032	0.5
527.33905	0.6
585.34247	2.1
599.35919	1.0
641.33893	0.4
643.34808	5.0
644.34833	0.6
661.35846	13.5
662.36285	1.0
703.37164	0.8
745.28809	0.7
823.41150	29.6
824.41357	4.0
879.39685	0.7
955.41718	79.1
956.41968	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	953.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
66.93811	0.4
67.01895	0.7
67.98810	0.3
68.99805	1.6
69.03448	2.1
70.92567	0.9
71.01378	5.3
72.99306	2.7
73.02942	0.7
83.01366	1.8
84.02147	0.6
85.02943	14.4
86.20118	0.3
87.00874	4.8
87.04514	1.3
89.02433	0.8
89.03954	1.1
96.95972	1.7
97.02944	3.4
99.00861	2.7
101.02420	0.8
111.00852	2.0
113.02444	1.2
115.04011	2.4
117.03461	3.3
121.02923	1.9
129.01932	11.9
133.02982	0.4
134.03731	41.8
135.04260	1.3
141.01900	2.1
149.06079	3.8
159.02968	2.8
160.01639	1.0
161.02426	0.8
173.04581	0.4
174.03255	0.4
175.03992	1.9
178.02686	0.8
179.03476	0.8
191.05579	6.4
192.05980	0.4
193.05032	35.3
194.05394	1.0
194.17354	0.4
209.06638	33.4
210.06898	0.7
239.09233	0.4
313.22897	0.4
385.11362	100.0
386.11682	6.3
400.95465	0.4
474.96393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62580	0.5
72.99318	0.7
75.00874	1.0
78.95900	48.1
80.30154	0.3
96.96945	2.3
107.03172	0.4
122.00116	0.9
140.01178	4.8
152.99577	9.5
171.00621	7.0
179.82664	0.4
196.03789	7.8
214.04855	2.2
249.67833	0.3
279.23257	77.0
280.23618	4.1
402.24222	0.9
476.27774	100.0
477.28162	7.2
577.98328	0.4
596.70135	0.4
791.66022	0.4
793.44080	0.6
874.88953	0.4
909.44806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35813	1.1
69.48233	0.1
71.01384	0.8
72.99286	0.4
73.02945	0.3
75.00854	0.3
79.95734	3.1
79.96210	0.2
80.96505	0.9
81.46061	0.1
81.95300	0.2
83.01395	0.2
85.02945	0.6
87.00862	0.2
89.02435	0.1
95.95219	2.5
96.96002	49.2
97.95921	0.3
98.95583	2.6
98.96389	0.4
101.02424	0.5
107.83050	0.1
122.97572	0.7
137.09671	0.3
138.97044	1.4
140.96579	0.2
150.97052	0.8
152.98627	0.2
164.98616	0.4
177.04015	1.3
180.98128	0.7
194.99753	0.1
198.99165	0.4
225.00687	0.4
241.00214	2.6
256.99631	1.0
449.14828	10.6
450.08661	0.2
450.15125	8.1
451.16330	100.0
452.16678	6.7
453.16324	0.2
524.19031	0.2
660.22198	0.1
689.23370	0.2
828.21814	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	3.9
69.03456	1.3
69.56615	6.2
71.01381	11.5
72.41888	1.3
72.99301	88.0
75.00867	72.5
79.95725	21.0
80.96508	9.9
81.03453	1.4
83.01382	4.3
85.02943	27.9
85.03443	2.0
87.00852	6.1
89.02412	1.8
91.01878	1.9
94.98062	2.2
95.01381	3.9
95.95219	2.6
96.96004	58.1
97.02962	1.7
98.19862	1.9
99.00864	8.1
101.02462	1.4
103.00351	2.5
109.02943	32.2
111.00862	13.1
113.02439	16.0
115.00347	6.1
120.95996	1.5
127.00398	1.9
129.01932	8.2
130.99832	1.5
133.01427	5.0
133.11224	1.3
135.00870	16.2
138.97052	4.8
153.01921	99.6
154.02290	2.7
154.96539	2.1
155.89308	1.0
157.01454	1.4
159.02986	1.4
175.02455	1.2
177.01961	1.6
193.03825	1.2
195.02965	1.3
210.99214	2.2
238.98656	15.5
241.00128	5.9
247.00410	1.3
253.08296	1.5
256.99713	43.9
291.03619	6.1
499.34293	5.7
521.91449	1.2
541.35297	2.9
613.37415	10.5
671.37970	2.3
675.37366	4.6
791.37958	1.4
799.26892	76.7
800.27356	12.3
830.69147	1.4
837.42566	31.2
838.42987	5.3
873.34467	3.0
877.42499	2.5
893.42114	2.3
953.43866	100.0
954.43927	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	947.266
Annotation	Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
72.29183	0.2
75.32416	0.2
78.63901	0.2
79.95734	0.2
83.01367	1.2
85.02917	0.2
95.01349	0.3
96.96004	0.8
107.01401	2.3
108.02180	0.5
111.00804	0.3
124.01691	0.5
125.02454	0.4
135.00826	0.4
136.01675	0.3
148.01669	0.8
149.99545	0.5
151.00362	8.5
152.01048	0.4
153.01924	0.2
163.00398	0.8
164.01173	1.2
169.01450	0.5
175.03996	0.3
178.52341	0.2
178.99855	0.3
183.04463	0.3
189.01988	0.3
192.00682	0.3
198.03200	0.5
199.03963	1.1
200.04851	0.3
202.02631	0.3
203.03452	0.4
211.03954	0.3
214.02710	1.5
215.03453	0.5
216.04230	0.4
226.02695	0.6
227.03445	2.3
228.04167	0.5
241.01666	1.0
242.02184	9.5
243.02942	7.8
244.03535	0.7
245.00926	2.8
254.02238	0.5
255.02966	3.8
256.03555	0.4
257.04584	1.6
270.01651	15.7
271.02423	14.7
272.03024	1.5
282.01474	0.6
283.02463	0.7
285.04028	8.7
286.04745	1.2
287.05600	0.8
298.01172	4.2
299.01938	18.6
300.02722	41.4
301.03189	2.3
313.03510	46.9
314.04260	23.9
315.05066	100.0
316.05377	4.9
327.04968	0.3
357.06265	2.0
459.09409	0.3
467.16208	0.6
477.10483	0.9
519.11310	0.7
550.59998	0.2
623.16089	10.0
623.26459	0.5
624.16296	0.8
638.14813	0.6
639.15582	53.1
640.15784	5.2
665.17218	0.3
736.96179	0.3
785.19714	0.3
827.22607	0.7
849.29462	0.3
947.26654	19.4
948.27161	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	952.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	0.9
71.63271	0.1
72.99275	0.1
73.02954	0.2
75.00865	0.2
79.95733	2.6
80.96517	0.8
83.01393	0.1
85.02942	0.4
87.00881	0.2
89.02448	0.2
95.01400	0.1
95.95228	2.1
96.96004	45.9
97.02944	0.1
101.02441	0.6
113.02467	0.2
122.97583	0.6
129.01903	0.1
137.09686	0.6
138.97063	1.8
150.97057	0.8
151.97861	0.1
158.14645	0.1
164.98601	0.3
168.98096	0.2
177.04025	1.1
180.98102	0.5
193.05017	0.1
196.48096	0.1
198.99161	1.0
203.52309	0.1
213.00710	0.2
222.99127	0.1
225.00752	0.2
241.00209	2.4
256.99683	1.0
259.01154	0.5
449.14798	100.0
450.15125	6.8
450.21600	0.2
451.16290	1.3
452.16559	0.2
453.16055	0.1
469.17761	0.1
470.16446	0.1
772.92035	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2662
Annotation	Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
69.25590	1.3
69.26015	1.4
71.01384	0.5
83.01394	0.8
83.49123	0.3
85.54086	0.2
91.19386	0.3
98.20644	0.6
107.01394	1.6
123.04530	1.6
124.01656	0.4
135.00891	0.3
135.04539	0.3
137.02457	0.3
145.02936	0.4
151.00365	6.5
152.01125	0.4
153.05577	1.6
160.74963	0.3
163.00365	0.6
167.04990	0.3
168.64348	0.3
169.01439	0.5
178.99837	1.4
183.04507	0.8
188.91580	0.2
198.03268	0.3
199.03996	2.3
211.04033	0.5
214.02701	1.2
215.03458	1.2
226.02669	0.5
227.03484	2.9
228.04070	0.4
241.01451	1.1
242.02171	7.4
243.02943	14.0
244.03546	1.2
245.00916	1.8
254.02161	0.5
255.02948	7.9
256.03342	0.4
257.04440	2.6
259.06079	0.4
270.01660	11.7
271.02429	23.1
272.03119	2.3
283.02548	0.5
285.04016	7.5
285.07080	0.6
286.04660	1.8
287.05566	1.2
298.01151	2.4
299.01935	34.8
300.02686	16.7
301.03131	0.8
312.02606	0.3
313.03500	25.6
314.04282	45.3
315.05042	33.7
316.05280	2.2
339.05103	0.3
351.76022	0.3
356.05249	0.4
357.05997	0.8
357.11731	0.5
386.94843	0.3
461.06970	0.3
471.27390	0.3
476.09537	2.6
477.10172	0.5
503.44586	0.3
785.21350	100.0
786.21698	11.1
827.22650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.52969	0.1
68.66582	0.1
69.43390	0.4
71.01357	0.1
75.00870	0.1
79.95734	3.8
85.02917	0.1
89.02488	0.1
96.81860	0.1
96.96005	100.0
97.95943	0.2
98.20577	0.1
113.03587	0.1
115.08720	0.1
116.05022	0.1
117.19083	0.1
127.05157	0.1
134.03717	0.1
136.01643	0.1
150.03220	0.1
151.03986	0.2
153.06693	0.1
165.05446	0.1
170.09387	0.1
180.04179	0.1
203.08270	0.2
565.21033	0.1
595.57220	0.1
597.20441	0.1
604.85657	0.1
776.29749	0.1
840.36877	1.4
841.37140	0.2
938.33679	0.8
939.33527	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6411
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.7
71.01363	2.0
71.62610	0.8
73.02981	0.6
77.73163	0.6
79.95732	2.0
83.05006	1.2
85.02919	1.4
89.02443	0.6
96.96004	8.1
100.40427	0.7
101.02412	1.3
104.21604	0.6
111.00823	0.7
113.02437	1.0
117.06546	0.6
134.03722	1.7
135.04521	0.7
138.01079	0.6
149.02357	1.0
149.04727	0.6
149.06009	0.7
150.03204	1.6
157.48135	0.6
160.01590	1.3
161.02386	0.8
165.01881	0.8
165.05557	1.4
171.73117	0.7
175.03961	1.3
179.03506	0.7
180.04309	0.8
193.04980	1.5
195.06555	1.1
256.99722	1.0
342.13297	1.1
360.10025	1.1
642.25153	1.9
663.64063	0.7
688.55029	0.8
688.66351	0.9
878.88318	0.8
903.66541	1.2
939.64099	100.0
940.64252	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	943.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89162	0.6
70.89465	0.5
71.01382	2.2
72.99309	0.6
75.00444	0.9
75.00867	16.1
82.91408	0.4
83.01372	0.7
85.02943	14.2
87.00858	0.9
95.01358	1.8
99.00870	1.1
99.67255	0.4
103.17041	0.4
111.00861	0.6
112.01635	0.6
113.02440	8.1
115.00366	0.7
115.88564	0.5
129.01913	0.5
157.01410	0.8
175.02333	0.7
192.70189	0.5
204.93781	0.5
251.60063	0.6
453.33408	0.6
455.35394	3.2
509.36615	1.1
555.37274	1.2
606.05518	0.6
631.38428	100.0
632.38855	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	945.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62636	0.7
75.24458	0.4
78.95898	48.3
84.70176	0.4
96.96026	0.5
96.96956	5.3
150.97968	1.9
152.99576	100.0
153.99890	0.8
171.00641	4.2
192.38243	0.4
255.95789	0.4
271.36218	0.5
277.21667	0.9
431.21976	36.6
432.22498	2.2
644.96362	0.4
818.20691	0.4
937.86194	0.4
968.97723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36855	0.6
70.37202	1.3
71.01369	1.2
83.01369	1.3
93.03454	0.6
105.87817	0.4
107.01376	3.9
108.02177	2.0
117.03484	0.7
121.02950	1.2
132.02211	2.3
133.02945	20.4
133.07828	0.5
134.03647	2.0
135.00893	1.3
135.04495	3.9
137.02356	0.5
147.79341	0.5
148.01688	1.9
151.00343	12.4
160.01704	0.9
161.02428	43.9
162.02768	0.9
163.00359	2.0
164.01129	0.7
169.01399	0.7
171.04449	0.8
175.03932	1.4
178.99838	6.5
179.03476	1.0
183.04494	0.8
199.03998	3.5
201.02040	0.6
203.03514	1.1
211.03943	1.0
215.03510	1.5
216.04312	0.6
226.02682	2.4
227.03429	4.8
242.02190	1.0
243.02946	20.6
244.03491	1.0
245.04376	0.7
254.02242	2.8
255.02953	32.6
256.03360	1.5
257.04575	1.4
270.01566	2.4
271.02444	74.7
272.02890	5.4
283.02216	0.6
284.03107	0.6
285.03986	2.1
286.04776	0.9
299.01950	27.7
300.02713	100.0
301.03381	13.3
302.04071	0.5
313.03525	1.4
314.04282	22.4
315.05045	14.0
316.05298	1.4
398.54584	0.5
540.82019	0.5
631.18341	1.6
753.18433	3.3
754.19080	0.6
771.19824	24.4
772.19824	4.2
785.21277	9.5
786.21051	1.1
947.24426	44.3
948.24628	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	937.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.4
71.01381	6.1
72.99301	1.7
73.02946	1.0
75.00869	1.6
79.95731	29.5
80.96513	18.9
83.01378	4.3
85.02936	4.5
87.00874	7.6
89.02444	1.1
93.03451	23.1
94.98075	2.8
95.01390	0.5
95.95232	3.5
96.40153	0.4
96.96003	100.0
97.02938	0.4
99.00883	3.0
101.02427	2.6
103.00320	0.7
104.55560	0.5
107.05029	0.7
111.00877	20.4
113.02445	1.7
115.00365	1.7
116.98260	0.7
120.96006	3.3
127.00355	2.4
129.01927	10.5
134.03702	0.7
135.04498	0.7
136.95491	1.3
137.02434	27.9
138.02890	0.8
138.97063	7.3
147.02965	0.6
150.97119	0.7
154.96541	2.3
159.02985	3.9
161.02466	0.9
164.98582	0.6
166.96562	1.6
167.00067	0.9
176.98621	0.6
177.04054	1.7
179.03502	1.0
190.96532	1.0
192.98141	1.2
208.97699	0.4
210.99202	4.2
238.98648	28.8
239.98912	0.8
241.00208	9.6
256.99707	81.0
257.99982	2.0
259.01285	1.3
263.74060	0.4
291.69324	0.4
359.32468	0.6
413.21793	1.0
450.07361	0.4
473.83722	0.4
493.17368	1.7
799.26935	52.7
800.27228	7.6
857.35626	0.9
937.30103	33.6
938.30139	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	935.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75813	0.1
70.76145	0.1
71.01355	0.1
75.00869	0.1
78.95892	0.2
79.95734	3.9
83.59939	0.0
85.02932	0.1
94.98050	0.1
95.97565	0.1
96.96004	100.0
97.22248	0.1
97.95924	0.2
98.01567	0.0
113.92606	0.1
114.93389	0.1
115.00351	0.4
133.08090	0.0
350.25436	0.0
352.52643	0.1
579.61841	0.1
683.88751	0.1
837.42432	0.3
838.43854	0.1
935.37939	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.62405	2.4
72.99294	1.8
75.00875	3.9
75.77647	1.6
93.03453	2.1
96.96002	6.1
108.02177	34.4
109.02946	51.9
109.22919	1.4
110.03279	1.5
119.05002	6.0
121.02947	3.2
122.03677	5.7
123.04495	7.0
139.03871	2.3
148.01649	3.5
149.02386	3.6
150.03186	3.2
151.03915	2.6
153.05568	1.8
163.03947	3.0
165.05602	1.7
192.04219	2.3
203.13875	1.5
251.06976	1.8
262.06049	2.4
263.07056	4.8
266.08148	4.1
267.06409	2.0
267.08908	1.9
280.09763	4.2
292.06119	1.9
306.07581	2.9
308.09366	2.9
311.41367	1.5
312.08847	2.3
318.07498	4.4
320.09213	2.3
322.10672	2.9
330.07648	3.0
334.10812	1.9
355.09705	3.1
371.09088	2.8
372.09970	4.6
373.10773	3.1
382.07965	1.8
384.09824	2.4
386.11469	2.3
387.12390	15.9
388.12860	4.3
390.53458	1.8
397.10529	3.6
398.10928	5.6
399.12396	3.2
401.13840	6.3
402.14590	4.7
413.13455	2.8
426.13937	2.0
428.11182	2.2
441.11533	2.6
442.12289	3.9
443.16165	2.0
444.14609	3.2
445.17068	1.6
452.14313	2.6
456.13885	13.0
548.16864	2.6
550.18726	4.1
560.16748	3.7
561.17645	3.3
562.18402	2.1
563.19745	2.3
564.19836	5.2
576.20135	11.2
578.21564	2.0
579.24750	2.3
580.23535	7.8
603.20166	2.2
608.22723	3.5
619.21167	2.9
623.24469	2.2
641.19104	4.4
737.25128	5.3
739.26270	28.1
740.26697	3.5
742.31000	3.1
743.29413	5.5
765.24432	22.8
766.24182	3.2
769.27216	1.9
771.29089	58.4
772.29272	9.0
793.44000	4.0
794.43689	2.2
797.27191	10.7
902.33063	22.9
903.32538	4.9
934.35388	100.0
935.35510	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	933.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00299	1.6
69.42677	1.1
69.43103	1.2
74.43228	0.2
83.01382	0.5
93.03451	0.3
98.19788	0.6
107.01369	2.3
109.02959	0.8
118.57800	0.3
121.02927	0.5
125.02430	0.3
133.02916	0.7
147.00800	0.3
151.00359	10.2
152.00787	0.3
153.05556	0.7
157.02910	0.3
161.02444	0.7
163.00352	0.7
164.01048	0.4
169.01440	0.4
171.04488	0.6
175.00443	0.5
175.03987	0.7
178.99858	1.3
183.04578	0.4
187.03938	0.4
190.99911	0.4
191.51294	0.3
193.01395	0.7
199.03958	2.8
201.01862	1.0
203.03552	0.5
215.03442	1.5
226.02707	0.6
227.03496	3.0
243.02956	3.5
254.02191	0.3
255.02998	3.2
256.03314	0.4
271.02441	57.1
272.02887	2.5
273.04031	0.4
283.02505	0.5
299.01941	100.0
300.02640	25.0
301.03482	27.0
302.03806	1.3
343.04532	0.5
460.50327	0.3
473.99606	0.3
500.61649	0.3
532.70300	0.3
609.14166	0.5
624.13556	1.8
625.13916	4.7
626.14465	0.4
771.19470	0.8
933.25098	45.9
934.25446	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	933.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00320	0.1
68.99803	0.1
71.01378	0.6
71.41370	0.2
72.99302	1.9
75.00442	0.2
75.00869	2.6
79.95734	3.8
85.02937	1.0
95.01357	0.1
96.96007	100.0
97.93126	0.1
97.95926	0.2
99.00896	0.2
111.00818	0.1
113.02447	0.8
115.00359	0.2
116.98274	0.4
118.96638	0.2
119.97364	0.1
125.02400	0.1
128.98683	0.1
130.96622	0.3
133.01399	0.3
142.96638	0.2
148.97656	0.2
156.98105	0.1
157.43236	0.1
158.57397	0.1
168.98210	0.1
174.99210	0.1
182.99815	0.1
184.97626	0.5
202.98769	0.2
214.98724	0.2
235.35283	0.1
248.68745	0.1
318.99722	0.2
433.48123	0.1
499.34225	0.4
527.33594	0.1
657.36865	0.1
671.37872	0.4
675.37518	1.7
676.38000	0.2
715.37201	0.2
733.38147	1.1
734.38129	0.2
775.36005	0.1
776.36005	0.1
791.38574	2.6
792.39087	0.3
798.10095	0.1
835.37531	5.0
836.37854	0.6
873.32202	3.0
874.32672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67417	2.5
71.01368	2.4
71.61940	3.9
83.94385	2.5
93.03431	4.9
96.96001	32.9
102.09338	3.1
108.02158	5.1
113.02464	2.4
118.96531	3.6
119.05015	6.0
121.02927	14.4
126.61357	2.5
134.02419	4.6
134.06082	4.6
135.04497	3.0
145.69603	2.4
148.01605	6.0
148.05234	4.0
149.02341	3.4
150.03195	5.2
153.98361	2.9
163.03981	3.7
177.06689	14.7
189.06642	3.6
202.05170	2.9
211.04001	4.9
212.04709	5.0
213.05486	3.1
239.03587	4.8
240.04216	19.2
241.04947	18.2
251.03412	3.7
255.06558	7.4
256.07297	11.0
259.08023	2.8
270.08997	4.3
271.09708	7.3
287.66190	2.7
296.06784	6.5
311.09079	4.9
311.13928	5.5
371.10934	2.7
410.89063	2.7
417.17999	3.0
430.12930	2.8
431.19791	4.1
446.16064	5.1
457.18323	2.7
471.52780	2.8
550.18542	17.3
565.21021	9.8
568.58441	2.6
580.23340	15.0
608.22443	3.3
631.05688	3.1
663.22980	3.8
739.26422	7.7
743.29980	15.6
771.29120	77.7
772.29089	10.5
797.26941	9.1
902.32892	5.9
934.35339	100.0
935.35565	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00346	0.8
69.42412	0.2
71.01392	0.4
71.22268	0.3
78.53982	0.2
83.01407	0.3
91.52068	0.3
96.95979	0.2
103.42884	0.3
107.01381	2.1
109.02952	0.8
121.02935	0.8
125.02408	0.3
131.43787	0.3
133.02983	0.8
135.00905	0.2
135.04494	0.3
136.54955	0.2
136.72260	0.2
147.00867	0.5
147.04510	0.4
149.02419	0.4
151.00363	8.3
152.00766	0.2
161.02365	0.3
163.00345	0.6
171.04469	0.7
175.00356	0.7
175.04013	0.3
178.99843	2.8
183.04434	0.5
187.03943	0.4
189.05545	0.4
199.03999	3.0
201.01907	0.8
203.03528	0.4
211.03810	0.3
215.03503	1.5
226.02742	0.6
227.03488	3.2
229.01389	0.3
242.02222	0.4
243.02943	4.8
245.04724	0.4
254.02246	0.6
255.02943	4.3
256.03378	0.3
264.08917	0.3
271.02444	61.8
272.02838	2.7
273.04211	0.5
283.02393	0.2
285.04077	0.3
286.06937	0.3
287.00687	0.2
299.01935	100.0
300.02664	29.1
301.03473	18.4
302.03925	0.8
312.02658	0.3
313.03500	0.6
325.03439	0.3
343.04565	0.5
355.04794	0.4
359.09747	0.3
462.07986	14.1
463.08444	2.3
730.51691	0.3
771.19794	23.0
772.19989	2.1
933.25073	34.2
934.25336	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	927.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.5
71.62594	0.6
72.99314	0.6
75.00857	1.3
85.02957	1.0
88.98802	100.0
89.99144	0.5
96.96006	2.0
98.95532	0.4
99.92567	0.5
106.11982	0.4
113.02428	0.7
115.00360	0.8
116.92867	2.3
149.20015	0.3
151.04010	0.4
163.63843	0.4
175.92436	0.4
181.05127	0.4
202.05518	0.3
254.40239	0.4
506.01508	0.4
589.48840	0.5
837.42969	1.6
838.43439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.478
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.8
68.99811	1.3
71.01370	15.1
71.62171	0.9
72.99303	27.0
73.02918	0.8
75.00867	25.9
83.01375	3.4
85.02943	13.6
87.00864	1.7
89.02434	7.5
89.72085	0.7
95.01385	5.9
96.96001	0.9
97.02929	0.9
99.00874	5.6
101.02415	1.8
103.00355	6.1
111.00871	7.0
113.02448	9.9
116.17366	0.8
129.01910	1.6
130.99840	14.6
139.00334	3.3
151.40541	0.7
197.60033	1.0
210.30804	0.9
455.35046	2.0
569.38062	1.1
622.80188	1.1
744.13904	0.9
744.60864	0.9
755.39880	0.8
763.43036	1.3
793.43707	6.3
794.43658	1.7
795.44257	2.4
873.11603	1.0
925.47552	100.0
926.47809	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	926.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03474	0.8
67.34139	0.5
67.76165	0.5
71.01285	1.4
71.02505	4.9
72.00902	4.9
72.99305	0.9
73.04063	8.3
74.02471	16.6
75.00880	0.9
82.01727	2.6
82.02985	3.3
82.06617	2.0
83.02496	2.7
83.08353	0.5
84.00893	1.2
85.04047	0.7
86.02457	0.9
95.02510	0.7
96.04544	1.9
96.96019	1.2
97.00417	1.9
97.04065	0.7
98.01205	1.9
99.01994	5.2
99.05664	0.7
109.04041	1.7
110.01212	1.4
110.06110	0.7
111.02018	1.6
112.02786	3.3
112.07670	1.7
113.03537	1.1
113.07198	3.9
113.53687	0.6
115.00349	0.9
115.07950	1.0
115.08765	19.0
116.05054	36.3
117.05368	1.0
118.06631	4.3
123.05649	0.6
123.09264	0.9
124.02777	0.8
124.04003	0.8
125.03541	1.2
125.07192	10.3
126.05576	1.5
126.09228	2.3
127.05116	6.0
127.08755	2.2
128.03554	1.2
129.03104	0.8
129.10336	16.7
130.06615	1.9
130.08725	4.1
137.03546	2.1
137.07202	5.3
138.05582	2.3
139.05070	1.7
139.07991	0.5
139.08777	4.9
140.07144	2.0
141.05634	0.5
141.06685	9.1
141.10304	3.0
142.05548	0.8
142.06610	10.9
143.08238	2.4
143.11871	9.9
146.06100	1.9
149.07172	1.5
151.05144	4.2
151.07568	0.8
151.08746	7.2
152.07123	2.3
152.08284	1.5
153.06686	25.6
153.10313	2.4
154.09854	3.8
155.03358	0.9
155.08253	36.1
155.11858	3.0
156.06920	1.0
156.08609	0.7
157.07704	3.0
157.09767	0.8
158.06075	1.1
159.09268	11.3
161.07040	0.7
163.08774	1.7
165.06660	1.0
165.10269	1.9
166.09824	1.6
167.08267	6.3
168.11417	5.3
169.09790	10.8
170.09326	27.4
171.09567	0.6
171.11235	0.5
172.09564	1.0
172.10909	12.7
173.07164	2.3
173.09326	1.5
175.08725	2.3
179.04608	4.8
179.08147	1.0
180.07639	0.6
181.06155	0.7
181.09819	2.8
182.09404	2.8
184.10921	2.3
186.05653	3.1
186.12448	8.7
187.05122	6.5
187.10851	11.0
189.06674	3.5
193.06163	1.7
195.11330	1.6
198.08844	5.4
200.13995	5.5
201.06654	3.5
203.08238	38.6
204.08534	1.6
206.09328	6.1
207.07733	1.9
210.08771	1.7
211.12038	1.2
213.08865	1.3
218.09267	0.9
219.07704	1.0
224.10364	7.2
224.17641	1.5
225.10445	0.7
227.11478	2.5
228.09898	1.0
229.12997	0.7
240.11612	0.6
242.13052	0.9
243.11368	0.8
244.12898	1.5
256.14594	3.8
260.13998	1.5
262.15561	0.7
265.38116	0.6
267.18195	4.5
270.16284	1.0
272.17676	7.1
274.15558	1.7
279.18219	1.3
281.12375	0.6
285.19107	0.7
286.17636	1.0
294.15921	0.9
296.13864	0.8
298.15610	1.1
299.15256	3.1
299.21063	0.9
310.15335	0.8
311.20657	0.8
316.16644	8.9
317.16223	4.0
318.16675	0.7
323.16977	0.8
325.18710	0.7
329.19733	6.6
331.17548	0.8
337.18704	1.0
342.14456	0.9
343.13977	0.6
343.19595	1.3
353.16046	3.2
354.21146	0.7
368.22760	0.6
369.17816	0.7
371.17255	8.7
373.18848	3.3
374.18320	0.6
381.17862	1.2
398.20486	1.7
428.26709	3.4
438.25333	1.0
454.24658	1.1
466.24521	1.2
470.24338	0.8
472.25507	2.2
483.27017	0.6
498.23672	1.8
510.23404	5.7
525.24585	2.1
527.26184	12.7
528.25909	0.7
529.27612	1.7
554.26227	1.2
571.28772	4.9
657.30347	0.6
674.33057	14.1
675.33105	1.2
698.64166	0.6
718.35571	13.5
719.35724	2.1
763.43018	1.2
882.41498	60.0
883.41626	11.0
908.42340	5.4
909.43616	1.6
926.44067	100.0
927.44446	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01882	0.6
68.99820	0.7
70.76036	1.2
71.01378	1.9
72.99303	100.0
73.99632	0.4
75.00869	77.8
83.01392	0.7
85.02950	12.2
87.00867	1.1
95.01376	2.0
99.00888	2.2
103.00368	25.0
113.02443	5.3
117.01907	0.5
124.24535	0.4
130.99855	56.5
132.00182	0.7
157.01399	0.4
175.02405	0.5
307.03046	0.8
437.33997	0.5
455.35114	2.4
497.36444	1.2
509.36835	0.6
569.38287	4.7
631.38202	3.0
632.38519	0.7
793.43762	27.2
794.43915	5.3
849.42090	0.8
925.44312	76.1
926.44678	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	925.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99816	1.5
69.53353	7.6
71.01379	25.2
71.05473	1.0
72.99287	4.7
73.02940	1.6
73.95005	1.0
75.00864	7.1
83.01369	4.6
85.02931	14.5
87.00842	1.9
89.02438	9.0
95.01372	4.9
96.95992	1.9
97.02956	1.3
99.00861	6.8
101.02444	10.4
111.00828	3.7
113.02441	15.0
119.03474	4.4
121.02929	1.7
131.03462	1.1
137.02435	1.3
139.00322	1.8
139.39566	1.1
146.38261	1.0
157.01369	1.5
221.06609	2.1
257.17239	1.0
300.32251	1.0
324.68076	1.1
334.73233	1.1
344.96899	1.0
453.33951	2.3
455.35144	4.5
466.72363	1.1
472.44977	1.2
483.34775	1.7
549.35632	1.3
551.37396	2.1
553.16833	1.2
569.38538	3.1
742.00781	1.3
925.47882	100.0
926.48047	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	919.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	23.2
72.99300	8.0
73.02950	3.7
75.00875	15.2
79.95730	23.9
80.96502	15.4
83.01370	5.0
85.02932	22.5
87.00859	9.0
89.02410	5.5
95.01370	4.1
95.95193	2.6
96.96002	100.0
99.00866	13.3
101.02460	7.6
103.00400	2.2
111.00869	13.5
113.02440	17.1
115.00305	2.5
117.01921	3.6
127.00304	1.8
129.01961	7.7
132.02148	3.3
133.02948	2.0
134.03746	18.7
138.97046	8.5
149.06079	1.9
159.03050	2.1
160.01649	15.0
161.02382	2.5
175.03960	13.9
193.05049	6.4
210.99057	1.9
235.16991	9.3
236.17377	1.6
238.98634	10.0
241.00150	6.2
249.06021	7.0
251.16403	2.4
256.99695	28.6
259.01208	6.5
267.07181	2.1
413.21725	10.0
485.23157	2.6
663.28101	4.5
677.27820	2.6
839.33246	39.8
840.33411	8.8
919.28931	92.9
920.29156	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	2.5
68.99805	0.3
71.60097	0.2
71.62768	0.3
72.85172	0.2
72.99288	1.0
75.00859	2.2
79.95702	0.3
81.15498	0.2
85.02955	1.4
87.00857	0.3
95.01366	0.5
96.95982	0.9
104.04109	0.3
110.00086	5.9
111.00836	0.5
113.02432	1.0
121.02968	0.3
123.00837	0.5
124.98736	0.4
134.03650	0.3
136.98801	2.6
137.99576	1.8
141.99054	0.4
146.03699	0.2
165.99052	9.1
167.04973	0.2
178.02664	0.7
183.04482	0.4
185.02417	0.3
187.03983	2.0
188.04715	0.9
199.04118	0.3
200.04773	2.7
211.04008	0.9
212.04779	5.3
213.01918	0.6
213.05057	0.3
214.02682	3.5
215.03145	0.3
216.04254	0.5
227.03383	0.7
228.04185	0.5
239.03673	0.4
239.07121	0.3
240.04211	0.7
255.02850	0.7
255.05473	0.3
256.03610	0.9
260.03192	0.4
267.03107	0.4
267.06442	0.4
282.08939	0.8
283.02411	0.8
284.03238	75.6
285.03571	3.7
296.10480	0.3
297.11255	1.6
299.05579	100.0
300.05933	5.7
342.13663	0.3
404.05133	0.2
430.13007	0.8
432.18179	0.4
445.15207	0.7
455.34738	0.3
460.17609	2.3
503.46158	0.3
569.38928	0.3
610.71100	0.3
623.23914	9.6
624.24237	1.4
748.51880	0.3
773.78101	0.3
793.43848	4.3
794.44458	0.6
923.46350	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	917.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.8
67.86285	0.2
69.89098	1.2
74.99100	0.6
75.84026	0.3
83.01386	1.0
85.02950	0.5
93.03465	1.0
96.96008	0.8
98.20679	0.3
107.01371	2.0
108.02174	0.5
109.02977	0.5
117.03443	0.6
119.05075	0.3
121.26540	0.3
123.04532	0.4
132.02193	0.5
135.00926	0.8
135.04471	0.7
136.99182	0.5
143.05017	0.5
151.00362	6.2
152.01111	0.6
153.05498	0.7
159.04509	0.7
163.00372	1.1
169.01418	0.7
169.06563	0.3
171.04483	0.6
178.99857	1.5
183.04517	2.6
185.02409	0.4
185.06104	0.8
187.03989	0.9
191.05670	0.4
195.04568	0.4
199.03955	0.5
211.03998	2.5
213.05496	0.8
227.03471	20.1
228.03888	0.7
229.05052	3.2
239.03435	1.1
240.04262	0.4
241.05005	0.6
253.05089	0.3
255.02957	58.9
256.03540	5.3
257.04529	3.4
267.03134	0.4
281.04486	0.6
283.02460	44.1
284.03214	67.1
285.03989	43.6
286.04349	1.8
299.01926	0.6
309.03931	0.4
310.08865	0.4
315.10858	0.3
326.04248	0.4
327.04974	1.3
339.05161	0.5
393.06293	0.5
446.08466	4.8
447.09076	0.9
469.27225	0.3
575.13824	0.6
693.52618	0.4
710.57672	0.3
755.20325	100.0
756.20642	12.1
814.69086	0.3
917.25635	1.5
922.02325	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84296	0.3
69.52242	2.0
71.01382	0.5
80.77637	0.3
85.02941	0.6
96.95988	1.2
109.02964	1.1
123.00881	1.0
134.03755	0.7
135.04585	0.5
137.02434	6.6
139.03975	0.4
144.86096	0.3
149.02397	1.1
149.06122	0.4
150.03201	0.6
151.00357	10.4
151.03995	1.1
152.01091	1.3
152.04774	1.3
161.02374	0.7
163.03911	0.5
165.01912	0.5
166.02696	42.1
167.03342	2.1
175.03996	0.7
177.01971	2.2
179.03493	0.5
181.05045	58.4
182.05389	2.2
184.03708	0.7
190.06325	0.7
191.03529	0.6
192.04243	0.4
193.04993	0.6
205.05060	0.6
205.08659	0.9
207.06557	0.5
219.06551	0.4
220.07278	0.5
271.02524	0.4
359.11270	1.2
387.10809	8.6
402.13123	8.3
403.13370	0.6
417.15500	100.0
418.15860	9.1
453.17889	0.6
537.16449	0.4
561.19684	0.9
603.20801	1.0
621.21405	0.7
742.53204	0.3
840.48181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01883	0.4
68.99819	0.2
71.01376	4.3
71.62663	0.3
72.78740	0.2
72.99308	1.2
73.02937	0.4
73.25718	0.2
73.31116	0.2
75.00870	1.7
79.95731	0.2
82.73190	0.2
83.01396	1.3
85.02949	4.0
87.00856	0.5
89.02441	2.7
95.01384	2.2
96.96019	1.7
97.02940	0.6
99.00869	2.1
101.02437	0.3
111.00870	2.6
113.02444	3.8
123.04492	0.3
125.08218	0.2
127.50572	0.2
129.01929	0.7
130.99899	0.3
131.03471	0.4
134.03737	0.4
135.04553	0.2
137.02434	0.5
139.00383	1.7
150.05588	3.1
157.01421	0.4
239.09344	0.2
275.78275	0.2
296.93137	0.2
302.70154	0.2
307.71567	0.2
343.11328	0.2
381.59464	0.2
407.33301	0.4
437.34329	0.5
453.33688	0.6
455.35251	7.4
456.35544	0.7
483.34528	1.3
523.37665	0.2
526.69348	0.2
537.35706	0.5
551.37457	2.0
569.38074	1.3
631.38477	0.6
698.15875	0.3
763.42664	100.0
764.42993	15.7
764.57355	0.5
897.20660	0.3
914.49402	0.5
937.60736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00338	1.3
69.36692	1.5
69.37117	1.6
83.01373	0.5
93.03466	1.1
96.96001	0.4
98.19907	0.7
99.21241	0.4
107.01393	1.5
117.03461	1.1
133.02939	0.5
135.00826	0.4
151.00360	5.0
155.05028	0.5
159.04486	0.8
161.02315	0.4
163.00313	0.8
169.06615	0.5
171.04533	0.7
173.02289	0.4
178.99812	0.4
183.04498	2.4
185.02405	0.4
185.06032	1.2
187.03995	1.0
191.41808	0.4
211.03976	2.2
213.05507	0.7
214.02492	0.4
227.03473	10.5
228.03914	0.6
229.05070	1.8
229.07024	0.4
239.03404	0.9
241.05019	0.6
255.02954	45.1
256.03534	3.4
257.04514	1.5
269.04443	0.5
283.02460	61.1
283.99884	0.3
284.03210	31.8
285.04016	100.0
286.04410	5.0
327.05026	1.9
428.89691	0.4
447.09152	0.4
467.15744	0.5
593.15228	5.2
594.15668	1.0
608.13824	0.8
609.14532	35.2
610.14771	3.0
635.17145	0.6
645.73901	0.5
755.20148	0.5
917.25604	31.2
918.25818	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	907.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84794	0.4
71.01376	13.7
71.01756	0.7
71.02176	0.6
72.99308	1.3
73.02925	1.2
75.33797	0.4
80.96516	0.4
83.01387	0.7
85.02951	3.6
87.00847	0.8
89.02438	11.6
93.03441	3.9
94.03809	0.4
95.01398	1.4
95.04984	0.4
96.95997	6.1
98.95589	0.6
99.00854	0.4
101.02436	6.2
102.34657	0.4
104.16819	0.3
108.02178	0.7
109.02934	1.0
113.02441	5.4
119.03487	3.7
121.02950	10.1
122.03732	13.8
122.04609	0.7
123.00881	1.1
123.04526	1.1
124.01646	0.9
131.03412	0.5
132.02104	0.8
133.02934	1.8
134.03734	1.4
135.04509	6.5
136.01656	14.5
137.02402	3.0
138.03194	0.9
143.03490	0.9
147.04495	1.4
148.07628	0.4
149.02428	28.8
149.06094	1.4
150.03210	100.0
151.00389	2.9
151.04002	21.3
152.01180	1.1
153.01917	0.9
153.05556	0.8
154.02719	0.4
159.04518	0.7
159.90028	0.3
160.05301	1.3
161.02464	0.5
161.04533	1.6
161.05956	0.7
162.03101	0.8
163.03963	2.4
164.04782	5.8
165.05550	97.6
166.02690	12.2
166.05841	2.7
167.03453	2.1
172.05225	1.0
174.03130	0.6
175.03989	4.0
175.07607	0.6
177.01892	0.8
177.05490	2.3
179.05583	4.0
179.07115	1.0
180.04276	6.8
180.05801	0.7
181.05043	14.5
182.05298	0.9
187.07585	0.8
188.04752	0.4
189.05533	3.6
190.06310	5.9
193.05034	0.4
195.06598	35.2
196.06932	1.1
203.06941	0.8
205.05035	0.6
205.08698	1.4
207.06604	0.8
221.08105	0.9
245.09274	1.1
252.88921	0.4
265.04764	0.5
266.05707	0.6
271.09396	0.5
277.05011	0.5
278.05804	0.6
281.08057	0.6
282.05338	0.7
283.09671	0.5
294.05356	0.7
297.07742	1.1
297.11090	0.4
309.07550	1.1
313.10519	0.4
314.07800	0.7
315.08688	1.8
324.09894	1.8
325.10617	0.8
326.11536	1.5
329.10245	3.7
339.08521	0.7
339.12265	3.1
340.12903	0.7
341.10117	0.4
341.13867	0.6
342.11057	1.2
343.11758	0.7
355.11749	0.6
356.12589	1.4
357.09644	2.7
357.13422	5.3
369.13425	3.7
372.12091	3.1
373.12811	1.0
386.13800	0.8
387.14456	24.1
388.14853	2.4
449.16040	0.7
453.17957	7.0
454.18320	6.1
455.17880	3.3
461.16083	0.8
490.16132	0.8
505.18585	4.8
506.18008	0.4
517.18567	1.8
519.18958	0.6
520.17249	1.4
531.18591	1.7
532.19580	0.5
535.19653	36.7
536.20111	4.2
553.20990	0.9
565.20624	4.5
566.21594	0.5
583.21759	92.9
584.14606	0.3
584.22052	11.2
697.24963	16.7
698.25171	2.5
727.25641	0.8
745.27094	41.5
746.27448	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	907.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83763	0.4
71.01377	20.4
72.99299	2.3
73.02950	1.6
74.02478	1.1
75.00865	0.4
83.01373	1.2
85.02943	5.6
87.00861	0.8
89.02438	17.3
93.03451	4.7
95.01394	1.4
96.96003	3.7
97.02961	0.6
99.00833	1.1
101.01772	0.6
101.02432	10.2
105.03447	0.5
108.02209	1.2
109.02956	1.5
113.02434	7.9
119.03501	6.2
121.02943	9.9
122.03733	15.2
123.04569	0.9
124.01676	1.0
125.02361	0.5
129.01855	0.5
131.03458	1.3
132.02141	0.6
133.02921	2.1
134.03712	1.6
135.04507	4.4
136.01648	12.0
137.02423	2.6
138.03203	0.9
139.03949	0.5
143.03500	1.8
147.04494	1.2
149.02435	29.3
149.06116	0.9
150.03209	100.0
150.49071	0.4
151.00383	2.1
151.04004	15.9
152.01125	0.6
152.04327	0.4
153.01830	0.7
153.05569	1.7
154.02702	0.7
159.04515	1.0
160.05273	1.4
161.02437	0.9
161.04562	2.9
161.05852	0.7
162.03206	1.4
163.03973	2.0
164.04768	6.6
165.05548	97.2
166.02701	8.3
166.05913	3.5
167.03461	1.6
172.05333	0.8
175.04007	3.0
175.07568	0.5
177.01959	0.6
177.05551	1.4
179.05620	6.1
179.07077	0.6
180.04277	6.1
181.05045	12.9
182.05382	0.5
188.04805	0.7
189.05525	2.6
190.06348	4.4
191.06903	0.5
192.04271	0.5
193.05084	0.8
195.06598	39.8
196.06891	1.2
203.07129	1.8
205.08531	0.5
221.08101	0.6
237.05515	0.6
245.09286	1.7
253.08627	0.7
256.07437	0.5
265.04984	0.6
266.05783	1.0
269.08014	0.6
269.26474	0.4
271.06232	0.5
271.09741	0.4
277.04999	0.5
278.05643	0.6
282.05264	1.1
294.05237	0.9
297.07880	0.6
301.10779	0.6
309.07596	2.2
309.10800	0.5
313.10706	0.7
315.08630	2.0
323.09280	0.5
324.09946	2.7
325.06808	0.5
325.10638	1.3
327.08615	0.7
327.12198	0.6
329.10165	2.3
339.08954	0.6
339.12384	4.6
340.12756	0.6
341.10144	0.6
341.13870	1.1
342.11200	0.6
343.11728	0.6
354.10941	0.5
355.11789	0.8
356.12546	0.9
357.09534	1.7
357.13498	4.5
368.12070	0.5
369.13480	5.4
372.12247	2.4
373.12817	1.2
385.12378	0.8
386.13629	1.0
387.14471	21.2
388.14673	1.3
449.15897	1.5
453.17862	2.0
454.18005	1.3
461.16376	0.7
490.16205	0.9
505.18564	3.6
517.18304	2.4
519.18634	1.6
520.17621	1.2
531.18744	3.9
535.19641	33.2
536.20032	3.4
549.19598	0.5
553.20306	0.7
564.13477	0.5
565.20624	3.9
583.21777	78.4
584.22168	8.4
679.23547	0.6
697.24896	24.1
698.25232	3.9
727.25568	1.4
745.27039	61.0
746.27368	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	905.384
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95556	0.1
71.01368	0.1
71.50842	0.1
75.00878	0.2
79.95735	4.1
85.02936	0.1
96.96005	100.0
97.95936	0.2
125.78586	0.1
129.01938	0.2
143.37468	0.1
173.50984	0.1
284.85712	0.1
289.35452	0.1
471.19968	0.1
500.23907	0.1
664.55139	0.1
683.95795	0.1
807.40930	0.5
807.91748	0.1
808.43280	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04597	0.1
71.01363	0.5
72.99323	0.1
73.02943	0.2
79.95737	1.8
80.70597	0.1
80.96502	0.8
83.01396	0.2
85.02934	0.3
89.02442	0.1
95.95224	1.4
96.96001	34.5
98.19885	0.1
101.02409	0.5
113.02403	0.1
122.97584	0.4
124.46204	0.1
138.97066	1.0
150.97084	0.6
152.98630	0.1
164.98647	0.2
177.04050	0.1
180.98132	0.4
198.99191	0.3
204.98134	0.1
225.00766	0.3
241.00206	1.7
256.99698	0.3
299.04532	0.1
421.15598	0.2
452.16422	0.1
453.17944	100.0
454.18253	7.9
492.67648	0.1
496.88190	0.1
501.14828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98535	1.2
71.01377	3.3
72.99295	1.9
73.18900	1.1
75.00873	28.0
85.02944	16.2
95.01384	1.8
96.95987	2.4
99.00892	2.9
101.82938	1.0
111.00908	1.3
113.02440	7.1
129.01917	1.4
137.02422	1.3
191.70639	0.9
194.46745	1.1
340.28391	1.1
388.56827	1.3
499.34216	2.3
593.68597	1.2
613.37274	4.1
634.22882	1.2
675.37250	4.9
837.42657	100.0
838.42993	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25275	1.7
69.25559	1.8
69.25866	1.9
69.26204	0.9
71.01366	3.2
75.00846	1.1
76.41865	0.7
79.95731	76.7
80.96514	13.7
83.01395	1.6
85.02953	2.4
87.00884	3.9
93.06662	0.7
94.98086	1.1
95.95208	2.9
96.96004	77.7
98.19839	2.3
99.00870	1.8
101.02444	1.4
111.00867	10.0
112.41405	0.7
118.01091	0.7
120.28584	0.7
120.95996	2.7
127.00298	1.1
129.01930	4.9
138.97066	5.3
150.96997	1.3
154.96562	1.2
159.02971	1.9
164.98566	0.7
210.99158	2.1
233.07951	0.7
238.98613	10.2
241.00208	5.8
256.97025	1.3
256.99710	25.5
257.99817	0.9
277.21710	8.4
279.23233	1.1
392.05988	0.9
405.15710	0.8
453.33606	2.5
463.20056	4.7
499.20328	1.0
517.21326	4.2
723.41443	3.5
901.46204	100.0
902.46497	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	905.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01879	0.9
68.99790	0.9
69.03429	2.2
71.01379	16.5
71.62272	1.1
72.99305	4.7
73.02914	2.6
75.00865	8.4
79.95734	18.4
80.96510	11.2
83.01374	5.5
85.02942	13.2
87.00873	6.9
89.02425	2.9
93.03400	0.8
95.01357	3.3
95.95226	2.4
96.96003	68.0
97.02960	0.8
99.00862	8.5
101.02448	5.3
103.00327	1.2
105.45074	0.7
107.05020	1.1
109.02928	3.1
111.00859	9.3
113.01699	0.8
113.02441	13.3
115.00355	2.5
117.03376	1.0
120.95947	1.8
129.01920	5.1
133.02943	22.4
134.03781	5.9
135.00899	1.3
135.04520	52.0
136.04903	1.1
138.97061	6.2
153.01927	10.1
154.96506	1.3
157.01413	1.5
159.02974	1.5
161.02431	65.8
162.02721	1.6
175.02390	1.4
177.04114	1.0
177.05542	1.2
179.03485	25.2
180.03709	0.9
193.04990	1.1
210.99092	1.4
231.05101	1.1
235.16927	5.0
238.98618	8.3
241.00255	4.8
249.06139	5.2
251.16530	1.7
256.99686	31.1
259.01257	3.7
267.07132	1.9
296.76169	0.8
367.10446	1.0
404.14130	1.3
405.14749	1.2
413.21774	8.5
530.33331	0.9
663.28656	3.9
743.24426	2.0
752.65179	0.9
825.31781	16.3
826.31927	2.6
905.27313	100.0
906.27533	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	899.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99799	1.2
69.03429	1.7
71.01380	26.3
72.99300	10.6
73.02955	5.3
75.00871	18.2
79.95735	4.5
80.96518	2.0
81.03522	0.8
83.01389	2.7
85.02948	23.0
87.00886	7.7
87.04520	5.2
89.02451	5.5
95.01367	4.6
96.96011	15.7
99.00871	16.3
101.02435	6.5
103.00385	2.3
111.00884	2.6
113.02442	16.5
115.00368	2.7
116.92839	3.5
117.01940	1.7
119.31014	0.9
121.02952	67.1
122.03278	1.7
122.64177	0.8
125.02432	1.6
129.01930	2.3
131.03494	0.9
132.82562	0.9
138.97020	2.1
157.01300	1.0
158.50751	0.8
175.02487	2.3
199.66159	1.0
235.17079	2.6
241.00443	1.0
249.06113	1.1
256.99936	1.2
291.47586	0.8
299.00699	2.1
413.21768	1.5
436.97623	0.8
589.26703	1.8
775.34119	9.1
776.34747	1.6
855.29248	4.1
899.35632	100.0
900.35962	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73508	0.3
63.02364	0.5
64.69488	0.3
65.00313	0.5
66.36464	0.3
69.10093	0.3
70.76404	0.9
74.02467	1.3
83.01395	0.6
85.44792	0.3
96.96008	1.3
97.83204	0.3
98.02446	0.5
103.59731	0.4
107.01318	1.5
108.02174	1.1
109.02914	0.5
116.05058	0.9
121.02954	0.9
135.00874	0.5
135.04518	0.5
137.02385	0.4
148.01700	0.7
149.02367	0.3
150.99161	0.5
151.00365	6.7
154.79616	0.3
161.02452	0.3
163.00359	1.1
178.99852	3.4
203.03506	0.4
203.08241	1.1
208.78250	0.3
226.02739	0.5
227.03481	1.5
243.00447	0.4
243.02928	5.8
243.41162	0.3
244.03406	0.3
245.09315	1.2
254.02190	1.3
255.02963	15.0
256.03278	1.1
271.02448	31.1
272.02942	2.4
273.03955	0.6
283.02481	0.6
299.02029	0.6
300.02728	74.1
301.03433	20.1
302.03864	0.9
343.04382	0.5
609.14526	100.0
610.14893	13.4
610.24951	0.5
702.82983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.0
63.35719	0.0
71.01363	0.1
72.99300	0.1
75.00873	0.2
76.89521	0.0
78.95895	0.3
79.95733	3.8
85.02942	0.2
87.00859	0.1
94.98057	0.1
96.96004	100.0
97.93104	0.1
97.95940	0.2
108.27230	0.0
112.18809	0.1
113.02427	0.1
113.92602	0.1
114.93375	0.1
115.00365	2.5
132.79747	0.1
149.87805	0.0
172.65135	0.0
182.26610	0.0
229.63454	0.1
273.02496	0.0
482.61517	0.0
569.38605	0.1
670.34259	0.1
726.09454	0.0
793.44031	0.6
794.44684	0.2
891.43097	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	1.8
68.99809	0.7
71.00980	1.0
71.01382	15.1
71.61631	0.5
72.99303	4.1
73.02937	1.0
75.00867	6.5
78.62958	0.5
79.48579	0.6
83.01389	4.5
85.02950	12.0
87.00864	1.1
89.02443	7.3
95.01386	7.1
96.96004	2.3
97.02931	1.5
99.00886	4.7
101.02438	1.4
111.00879	7.4
113.02451	7.4
116.92836	1.9
117.47831	0.6
119.99608	0.5
129.01903	1.5
131.03490	0.8
134.03665	0.6
135.30357	0.5
139.00343	3.7
146.14459	0.6
156.58958	0.5
157.01460	1.0
160.57129	0.5
221.93510	0.6
228.81882	0.5
259.79651	0.5
437.34021	0.7
453.33652	0.7
455.35257	3.1
483.35257	0.8
511.34433	0.6
523.37244	0.8
537.35626	0.8
551.37622	2.8
569.38556	1.9
701.42810	2.9
702.42944	0.7
763.42151	2.8
764.42334	0.8
767.35687	0.7
895.46893	100.0
896.47131	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	883.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79099	0.1
65.88319	0.1
71.01352	0.1
71.62593	0.1
79.95734	3.9
85.02954	0.1
96.96004	100.0
97.95952	0.3
134.03743	0.4
135.04549	0.1
149.06105	0.1
151.00238	0.1
151.03935	0.1
151.87213	0.1
160.65491	0.1
168.03813	0.1
176.00487	0.1
178.02638	0.1
181.05128	0.1
185.11549	0.1
193.05072	0.7
227.03532	0.1
243.02945	0.3
255.03058	0.1
271.02432	0.4
285.03964	0.1
291.98190	0.1
299.01846	0.8
300.02600	0.4
314.04358	0.9
315.05115	0.5
358.81085	0.1
373.13739	0.1
387.14517	0.2
397.11264	0.1
445.40311	0.1
644.68372	0.1
744.45636	0.1
785.21387	1.3
786.21954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98799	0.3
70.00529	0.9
72.99299	0.5
75.00871	1.2
85.02950	0.9
88.98803	100.0
89.99159	0.6
96.96009	1.2
98.19886	0.3
113.02468	0.5
115.00462	0.2
137.65056	0.2
164.00183	0.2
165.05617	0.3
196.78592	0.3
203.36586	0.2
210.56209	0.2
243.54337	0.2
254.07208	0.3
631.39056	0.3
793.43866	1.6
794.44031	0.6
795.43896	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96389	0.2
63.45557	0.2
69.39700	0.6
69.40107	1.5
71.50764	0.2
78.95897	51.9
87.48679	0.2
96.96962	6.5
130.00352	0.2
135.40710	0.2
150.98009	2.0
152.99573	100.0
153.20612	0.2
153.99898	1.5
171.00624	3.9
254.97028	0.2
275.16736	0.2
279.23251	0.9
433.23532	36.6
434.23898	3.3
885.00549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96415	0.3
71.62730	0.4
78.95899	55.1
81.28146	0.2
90.56070	0.2
96.96955	6.1
97.51869	0.2
98.61623	0.2
135.70338	0.2
150.97980	1.6
152.99576	100.0
153.99953	1.1
159.49606	0.2
161.72177	0.2
164.39743	0.2
171.00647	4.0
172.00963	0.3
178.22372	0.2
225.60838	0.2
278.38171	0.2
279.23120	1.0
433.23550	41.5
434.23932	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	882.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.9
67.65192	0.3
70.02965	1.5
70.76196	0.9
71.01353	0.5
72.00899	0.9
72.04553	0.4
74.02469	5.9
75.00877	0.4
82.01730	0.4
82.02986	0.7
83.02510	1.2
84.00896	0.6
84.04561	0.4
85.02953	0.5
85.04059	0.5
87.05631	2.9
88.04037	1.7
89.02445	0.3
91.06293	0.3
96.96017	1.4
97.00431	1.3
97.04055	0.8
98.01182	0.3
98.02463	3.4
99.02023	0.7
100.79431	0.3
101.07198	1.8
110.01211	1.2
110.02445	0.5
111.01989	0.3
111.05658	0.4
112.02766	1.7
112.03992	0.3
113.03565	21.8
113.07214	0.4
115.05133	0.3
115.08738	0.5
116.05056	15.4
117.05392	0.3
118.06635	4.4
119.07011	0.3
123.05635	0.6
125.03567	4.8
125.07191	0.5
126.04401	0.4
126.05661	0.3
126.06688	0.6
127.05125	6.3
128.03526	0.5
130.00389	0.3
133.91884	0.3
137.03661	0.3
137.07243	0.3
138.43033	0.3
139.05122	1.9
141.06693	20.8
142.06612	3.2
144.07776	1.0
144.25311	0.3
145.06181	5.8
153.06650	0.6
155.03342	0.8
155.08250	6.2
156.07803	0.5
157.07658	0.4
158.09294	0.4
159.09247	1.8
163.08752	0.3
165.10338	0.5
167.04620	0.7
171.04166	1.6
172.10909	0.6
173.07225	0.7
174.09274	0.3
179.03162	0.5
179.04617	5.0
184.07173	0.3
186.05612	0.4
187.05099	2.9
195.07681	0.3
198.08798	1.9
199.07149	1.1
199.08759	1.3
200.39890	0.3
201.06685	0.6
202.08679	0.4
203.08243	13.9
204.08612	0.5
206.09259	0.5
207.07755	1.9
208.10939	1.1
215.08237	1.6
215.11986	0.4
217.09799	10.9
218.09892	0.4
227.07870	0.4
229.05894	0.3
230.13019	1.7
240.08644	1.3
243.07704	4.1
244.08446	1.0
252.09898	0.8
256.10751	0.4
269.12561	0.7
274.11932	3.6
275.12460	0.5
283.13983	1.6
285.13425	0.3
287.15161	0.6
295.13834	0.3
300.09839	0.8
310.15640	0.3
326.15048	1.1
327.13065	3.9
346.44202	0.3
369.14206	1.1
412.19894	1.2
425.18298	3.8
451.16153	1.2
456.18842	100.0
457.19147	10.7
513.21069	0.4
527.22473	1.0
529.24298	0.7
554.21515	0.4
555.21967	11.7
556.22211	1.8
674.29230	2.9
675.29285	0.4
808.85114	0.4
859.14124	0.4
882.37634	4.2
883.38275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.338
Annotation	Pusilatin E
Peak:m/z	Relative Intensity
65.03960	3.5
67.01884	1.9
68.99831	0.1
69.03450	0.4
71.01379	5.8
71.62863	0.2
72.96308	0.2
72.99306	0.5
73.02950	1.4
76.06446	0.2
82.73539	0.1
83.01379	1.2
85.02949	3.2
87.00880	0.5
89.02438	1.5
91.01891	1.7
95.01398	0.4
96.96048	0.4
99.00882	0.9
101.02428	2.9
109.02945	27.3
110.03275	0.9
111.00853	0.3
113.02449	2.2
117.44991	0.2
119.03497	0.5
123.04502	0.2
125.02450	0.5
129.01939	0.2
135.00874	10.9
136.01242	0.4
143.03535	0.3
153.01926	100.0
154.02261	3.4
161.04550	0.4
235.17015	1.0
245.06731	0.2
251.16501	0.5
263.07986	0.2
275.41629	0.2
360.94769	0.2
367.98080	0.2
413.21753	2.5
788.51947	0.2
873.33899	12.6
874.34161	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	873.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	2.4
67.01875	0.6
68.99798	1.3
71.01375	5.5
71.62481	0.3
72.99303	2.6
75.00867	37.3
83.01372	1.3
84.02148	0.4
85.02944	23.3
86.03294	0.5
87.00871	2.3
89.02435	0.7
95.01378	2.9
96.52832	0.3
96.96015	2.3
97.02847	0.4
97.28859	0.4
99.00870	2.4
103.00343	0.4
112.01661	0.4
113.02444	9.0
115.00341	1.0
116.01113	0.6
117.01925	0.9
129.01930	0.6
157.01393	1.5
175.02412	0.6
197.96346	0.4
240.99983	0.6
390.95868	0.4
449.42422	0.3
458.38593	0.4
499.34067	2.7
500.34763	0.5
541.35468	1.0
542.35132	0.4
553.35541	0.6
599.36310	0.6
613.37323	6.0
614.37854	1.1
614.56458	0.3
615.35754	0.5
627.76477	0.3
631.38342	0.8
675.37476	6.3
676.37701	1.0
837.42676	100.0
838.42999	23.6
873.38245	0.9
879.29095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01862	0.9
68.99821	2.4
69.03462	2.5
69.34808	3.1
70.02966	0.6
71.01379	6.6
72.99306	3.5
74.02457	3.6
80.16236	0.4
83.01357	2.1
85.02947	13.4
87.00873	2.8
87.04491	1.3
87.97686	0.4
89.02419	0.9
93.03439	1.1
96.95998	2.0
97.02940	5.3
98.02449	0.9
99.00858	2.7
111.00888	2.2
113.02426	1.2
113.39942	0.4
115.03988	3.0
116.03505	1.2
116.05036	1.6
121.02965	1.4
122.03751	2.2
123.04527	0.9
125.02592	0.4
129.01918	9.1
129.02809	0.7
133.02940	1.5
134.03731	14.7
134.43410	0.4
135.04451	1.5
137.02423	2.5
139.04065	0.5
141.01970	2.2
142.06607	0.7
149.02420	3.6
149.06081	4.3
150.03209	19.3
151.04045	2.1
159.02972	0.9
160.01628	1.2
161.02446	1.2
164.04773	1.3
165.05548	20.9
166.05824	0.5
175.03975	2.0
178.02721	6.4
179.03357	1.0
180.04237	1.7
181.04967	1.3
191.03932	0.7
191.05586	6.8
191.07127	0.8
192.04279	0.5
193.05029	20.6
194.05301	1.1
195.06575	5.3
203.08208	2.6
209.06656	2.3
220.33635	0.6
245.09280	6.1
248.64920	0.4
282.08951	0.5
285.04166	0.5
334.40063	0.6
367.09818	0.5
384.10492	0.7
420.94012	0.5
504.02417	0.4
531.14954	1.0
581.18695	100.0
582.19043	10.3
802.74353	0.5
871.25293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83155	0.0
61.62940	0.0
71.01372	0.1
79.62862	0.0
79.95731	3.9
95.97563	0.1
96.96001	100.0
97.95931	0.3
97.96449	0.0
98.19839	0.1
113.02394	0.1
114.93385	0.1
139.00354	0.0
229.51472	0.1
329.32016	0.0
763.42535	0.6
764.42999	0.1
861.39954	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95896	0.1
79.95728	3.7
95.97593	0.1
96.75658	0.1
96.96001	100.0
97.09977	0.1
97.95936	0.2
128.62062	0.1
280.65021	0.1
281.45471	0.1
282.10797	0.1
283.07877	0.1
331.25250	0.1
386.18854	0.1
396.43643	0.1
474.58267	0.1
505.64438	0.1
619.68213	0.1
763.42065	0.4
877.33289	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
67.01894	1.0
71.01378	5.2
72.99305	2.2
73.02947	0.8
75.00864	4.0
75.41571	0.7
76.96109	0.6
83.01391	2.2
85.02956	5.9
87.83267	0.8
89.02457	4.9
95.01394	2.4
96.96027	0.9
98.20641	1.8
99.00886	3.0
111.00858	3.5
113.02431	5.7
139.00385	1.8
139.79584	0.7
499.34167	1.8
595.36676	1.2
613.37854	1.5
796.61804	0.9
807.41620	69.7
808.41925	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	859.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.9
71.01379	10.3
72.99297	1.2
73.02942	9.2
75.56955	0.4
75.82291	0.4
83.01382	3.0
85.02939	3.3
87.00863	1.6
88.74162	0.5
89.02419	3.2
94.60175	0.4
95.01415	0.5
96.95992	2.3
97.02931	0.9
99.00896	1.0
101.02433	8.0
113.02441	2.4
117.03485	0.5
119.03487	1.1
125.02434	0.5
129.01924	1.7
134.03735	7.8
135.04431	0.6
137.02483	0.4
143.03403	0.4
145.10181	0.5
149.06023	0.9
149.35258	0.3
152.01083	0.5
161.02422	0.5
161.04556	0.4
163.11276	3.6
165.05482	0.4
175.03934	0.5
191.05565	0.7
193.05026	5.2
207.10271	6.2
209.06639	5.4
215.73476	0.4
229.83290	0.6
241.00200	0.9
341.09152	0.9
360.29376	0.5
364.97906	0.5
369.15341	1.0
385.11411	12.0
386.11691	1.6
387.16513	6.3
429.17590	100.0
430.17941	10.0
613.12518	0.4
845.91925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	1.5
68.99785	1.6
69.03448	5.2
71.01379	23.2
72.99293	10.3
73.02933	4.9
75.00850	4.6
79.01868	1.8
79.95732	28.6
80.96507	13.5
83.01376	5.4
85.02940	17.8
87.00864	12.6
89.02421	3.4
89.03959	3.3
94.98084	2.1
95.01375	1.9
95.95201	3.8
96.96001	100.0
97.02925	7.6
99.00845	6.2
101.02443	9.2
111.00865	13.7
112.33484	1.4
113.02441	9.1
115.03977	3.1
117.03417	5.4
129.01930	13.4
134.03731	99.0
135.04030	3.4
137.02341	1.9
138.97069	9.3
141.01929	3.3
149.06064	7.2
155.03458	2.4
159.02924	2.8
160.01602	4.5
173.04494	3.9
175.03958	5.5
178.02606	4.5
191.05536	5.0
193.05037	66.0
194.05304	2.9
235.16959	9.1
238.98770	8.2
241.00250	7.7
251.16397	3.8
256.99741	29.4
259.01236	5.5
332.71719	1.6
413.21597	16.1
414.22012	1.7
555.24438	10.7
605.27734	11.7
606.28333	1.5
721.33008	1.4
763.42181	3.3
764.42749	2.0
781.32739	42.5
782.33276	6.5
807.37823	1.6
861.28198	83.5
862.28778	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.1
79.95731	2.7
80.96510	0.8
85.02936	0.7
95.08325	0.3
95.95231	1.1
96.96004	36.5
98.19780	0.6
98.95587	0.6
101.02428	0.9
111.54874	0.3
122.97585	0.7
129.24071	0.4
135.04492	0.4
138.97054	1.3
150.97078	0.8
161.02509	0.4
164.98647	0.3
180.98035	0.4
241.00226	2.0
244.05121	0.3
387.16492	0.5
437.14865	0.6
451.16623	0.5
467.15784	0.6
468.15909	1.1
469.17432	100.0
470.17749	10.9
471.17355	0.5
532.96588	0.3
631.67328	0.3
713.82471	0.3
776.11462	0.3
823.10706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	1.2
62.32611	0.7
67.01892	1.4
68.99823	1.4
69.03458	2.5
70.84064	1.4
71.01382	19.5
72.99305	92.5
73.02957	0.9
75.00871	31.0
83.01405	4.2
84.02161	3.5
85.02944	19.0
86.00083	2.1
86.96992	2.7
87.00870	7.4
95.01373	5.2
96.95985	1.2
96.99024	0.9
97.02929	4.9
97.53275	0.8
99.00878	14.3
103.00315	1.4
109.02914	1.9
111.00835	6.0
112.01707	3.8
112.47541	0.8
112.98577	11.7
113.02443	20.1
113.99554	1.0
115.00141	24.0
116.98293	9.6
117.01887	2.1
125.02410	1.3
127.00306	1.6
130.99928	0.8
133.01404	1.4
135.00735	0.8
136.98541	2.8
137.02338	0.9
139.00150	4.6
141.01833	1.1
147.02950	0.8
153.01759	1.2
154.99597	7.2
157.01270	1.1
158.99060	2.3
166.99635	1.1
168.97551	4.4
169.01183	1.7
170.99138	1.6
175.02478	1.8
182.99031	1.3
185.97809	2.4
194.98961	1.4
196.97049	2.3
197.00684	3.7
198.98633	1.3
275.98038	1.1
357.00687	1.8
369.76419	0.8
497.32565	2.6
499.34335	8.5
500.34622	1.6
579.38049	0.9
581.34357	1.0
595.36188	1.5
671.37854	2.3
675.37671	2.4
676.37524	1.2
697.35760	5.0
737.35455	1.1
755.36023	2.9
785.37054	2.4
795.36377	0.9
797.33350	2.8
799.35339	1.8
813.36682	31.2
814.37134	6.0
857.35681	100.0
858.36084	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	855.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12997	0.3
69.74863	1.9
71.01369	0.9
79.95721	2.5
80.96539	0.6
95.95234	4.3
96.96004	34.6
98.20602	0.7
98.95580	0.7
138.97095	0.9
177.04005	2.3
180.98076	0.4
225.00739	0.8
241.00206	2.7
256.99622	3.7
305.06918	1.7
387.16617	0.7
431.30225	0.3
465.14273	1.2
466.14688	1.3
467.15857	100.0
468.16217	9.2
468.21902	0.2
469.16309	2.0
629.43268	0.4
645.65088	0.4
682.60156	0.4
715.39697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
62.98528	0.1
71.01385	0.2
72.99332	0.2
75.00869	1.9
85.02948	1.1
87.00876	0.2
96.96011	0.8
99.00887	0.1
99.78464	0.1
113.02415	0.5
115.00373	0.2
115.76335	0.1
122.86515	0.1
125.43201	0.1
132.18056	0.1
138.59406	0.1
175.02586	0.1
190.25716	0.1
198.28735	0.1
229.52817	0.1
236.77782	0.1
376.36444	0.1
455.35361	0.2
569.38245	0.4
605.64056	0.1
631.38544	0.4
777.36969	0.1
791.57739	0.1
793.43738	6.9
794.44177	1.3
812.34277	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	17.7
67.95834	0.4
71.01379	0.9
71.61810	0.6
72.99292	0.6
74.32751	0.3
75.00872	0.9
83.01375	0.4
85.02952	0.8
88.98800	100.0
89.02438	0.6
89.99146	0.8
99.00846	0.6
102.07366	0.3
108.21663	0.3
111.00851	0.6
113.02431	0.6
156.27563	0.3
347.94562	0.3
763.42651	12.0
764.43048	2.4
793.39948	0.5
793.89349	0.4
853.34821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.422
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89357	0.3
60.89690	0.3
60.99303	17.3
70.89136	0.3
70.89436	0.3
71.01382	0.4
75.00881	0.3
85.02946	0.8
88.98802	100.0
89.02444	0.4
89.99147	1.1
97.90723	0.2
113.02432	0.3
134.54829	0.3
188.72057	0.3
214.41542	0.3
442.66104	0.3
462.73566	0.3
496.50296	0.3
554.13184	0.3
671.00879	0.3
678.51312	0.3
763.42657	10.3
764.43018	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90958	2.3
67.01891	3.9
67.37357	2.1
69.03451	3.3
70.14642	8.9
71.01380	13.0
72.99289	12.2
73.02946	10.0
75.00873	62.1
83.01376	3.4
85.02953	44.7
87.00850	5.7
95.01385	10.0
96.95995	6.4
97.02942	9.5
99.00887	5.5
103.00314	2.6
109.02893	3.0
111.00851	4.8
112.01664	4.8
113.02445	23.9
115.23392	2.5
117.01935	28.9
134.33464	2.1
137.02440	4.5
139.00362	3.0
149.27965	2.2
151.01114	2.7
153.87981	2.6
161.00902	16.2
218.68652	3.0
230.88843	2.3
234.33609	2.4
391.26019	3.0
453.36920	2.5
469.98953	2.3
581.92676	2.6
673.36407	3.1
691.36920	71.5
692.36841	13.5
733.37860	100.0
734.38141	19.2
853.38409	71.1
854.38580	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	851.442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.0
67.01884	2.4
68.99818	2.7
71.01389	10.2
71.62278	1.0
72.99306	18.6
73.02946	2.0
75.00871	100.0
76.01195	1.2
83.01384	2.3
85.02441	1.5
85.02948	20.3
87.00866	1.2
95.01382	6.8
96.96011	2.5
97.02954	2.0
99.00879	9.8
111.00877	4.0
112.01670	2.5
113.02454	21.1
115.00359	1.4
116.98306	3.4
117.01953	2.7
139.00359	1.4
157.01428	3.7
181.05063	1.0
204.31479	0.9
233.03014	5.6
255.23238	0.9
302.42499	1.1
342.90720	1.0
377.58414	0.9
379.52625	0.9
425.38867	1.1
438.00110	1.0
453.33597	1.2
455.35388	3.5
495.46878	1.1
515.33392	1.2
569.38831	1.2
627.39160	1.8
687.37213	1.9
691.36743	7.4
692.36969	1.1
731.36609	1.9
749.37042	4.6
773.94580	1.1
807.37885	6.7
808.38116	1.1
851.44501	96.4
852.44775	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	1.4
68.54980	0.6
68.99796	1.3
69.03452	1.2
71.01381	24.1
72.99301	13.7
73.02943	4.0
75.00872	33.0
83.01369	1.9
85.02945	28.1
86.03276	1.6
87.00872	6.6
89.02430	3.5
95.01379	5.9
96.96003	1.5
97.02923	1.0
97.98180	0.6
99.00877	12.3
101.02453	3.2
103.00368	2.9
105.05206	0.6
111.00865	1.6
113.02448	21.6
115.00371	3.2
116.98280	2.1
117.01958	5.4
121.02951	60.7
122.03261	1.8
129.01917	1.9
129.16341	0.6
130.99898	0.7
133.01466	1.4
139.00357	0.9
152.97420	0.6
154.16463	0.7
157.01430	1.2
161.00874	1.8
175.02422	2.2
175.03964	0.8
193.03433	0.6
235.16946	4.1
249.06050	0.8
251.16277	1.0
288.11703	0.6
371.09616	0.8
374.40311	0.6
413.21561	1.4
429.41104	0.6
435.28354	0.7
451.31488	0.7
455.22858	1.1
461.27310	0.6
498.33176	0.7
587.33118	0.6
589.26263	3.6
635.92700	0.6
689.37848	0.9
691.36841	4.9
692.37354	3.1
693.37585	4.7
733.37811	7.7
734.38202	1.1
751.37561	2.5
767.30579	2.0
780.39111	0.7
791.31329	0.9
809.32214	100.0
810.32587	21.2
853.38049	6.4
854.38995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.0
60.99297	1.3
61.68392	1.2
64.10165	1.4
67.01857	1.6
68.99818	1.2
69.03420	1.7
71.01379	14.5
71.41463	2.4
72.98878	1.2
72.99301	53.0
75.00869	100.0
76.01184	1.4
81.03486	1.9
83.01354	2.4
85.02944	40.1
87.00859	4.4
89.02450	1.7
95.01376	5.2
96.95996	4.1
97.02940	3.1
99.00856	5.7
106.83474	1.1
109.02923	3.4
111.00862	1.2
112.01646	1.9
113.02440	24.2
115.00375	9.5
116.98297	23.0
117.01940	1.8
130.99870	1.2
133.01405	5.5
139.00296	1.2
142.99443	1.1
153.01804	1.4
233.02986	1.2
244.83699	1.3
291.03537	4.6
317.45230	1.2
393.27795	2.0
419.29816	1.3
451.32452	1.3
602.48102	1.3
673.35883	1.5
687.37305	12.5
688.37622	2.8
691.36902	38.4
692.37360	6.6
731.35962	8.2
732.37555	1.9
749.37518	26.0
750.37726	4.0
791.35022	2.6
807.37994	40.3
808.38428	8.1
851.36902	33.3
852.37305	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	850.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	3.7
69.03458	1.3
71.01374	8.0
71.63311	1.2
72.99290	4.8
73.02929	2.1
75.00863	4.6
79.01888	1.7
79.95728	9.7
80.96507	6.3
83.01356	2.6
85.02940	8.3
86.52631	0.9
87.00858	4.0
89.02408	1.3
94.98122	1.0
95.01381	1.0
96.96003	35.9
97.02917	3.2
98.40530	1.0
99.00832	2.5
101.02406	3.1
111.00863	3.7
113.02433	5.5
120.95995	0.9
123.02435	1.7
123.03257	26.2
126.16379	0.9
129.01923	5.0
138.05597	100.0
138.97031	4.0
139.05910	3.8
141.01923	0.9
159.02946	1.7
166.23573	1.0
182.04500	1.4
191.05557	2.4
235.16957	2.8
238.98615	2.1
241.00165	2.8
244.05458	1.0
251.16490	2.1
256.99686	9.4
259.01248	4.3
259.63412	0.9
285.07568	1.3
286.08160	1.7
301.10556	1.4
385.30530	0.9
413.21786	6.8
414.21884	1.0
443.22897	1.0
464.16846	2.7
465.17249	2.5
479.19464	0.9
555.24518	6.4
605.28387	5.9
606.27789	1.4
615.84479	1.0
694.61426	0.9
749.37720	1.2
770.32245	20.8
771.32983	5.0
818.29346	1.1
850.27930	32.2
851.27588	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	851.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.8
60.99301	1.9
62.76043	0.7
67.01877	1.7
68.99815	1.4
69.03461	1.3
70.47063	2.3
71.01377	13.0
71.16823	0.6
72.99303	53.4
75.00865	100.0
76.01206	0.9
81.03441	1.8
83.01385	2.9
84.02159	0.9
85.02944	37.0
87.00871	3.0
89.02432	1.4
95.01370	5.6
96.72182	0.6
97.02932	3.6
98.20504	0.8
98.82390	0.7
99.00860	6.6
101.02445	1.0
103.00375	1.9
109.02957	3.4
111.00851	3.7
112.01617	1.7
113.02431	23.6
115.00352	9.8
116.98296	21.7
117.01917	1.6
125.02393	1.8
126.40859	0.6
129.01932	2.9
130.99869	1.0
133.01405	7.8
137.15967	0.7
139.00314	0.9
147.95006	0.6
157.01372	1.4
158.99399	1.8
174.98882	1.2
175.02470	1.5
224.71741	0.8
233.02895	1.2
291.03494	5.6
391.26028	1.0
393.27689	1.7
451.32040	1.1
482.33524	0.7
501.50165	0.8
507.31018	1.4
629.37091	1.4
646.39697	0.8
673.35596	3.5
687.37421	12.7
688.37842	2.8
691.36908	47.7
692.37067	8.6
717.38220	1.3
731.36328	8.3
732.36865	2.3
747.00085	0.8
747.36182	1.2
749.37469	25.1
750.38165	4.8
779.37067	0.9
791.35059	2.5
792.35052	2.1
807.37946	39.3
808.38239	8.4
851.36847	28.7
852.37384	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	851.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.6
60.99299	0.5
67.01867	1.2
68.99815	1.7
69.03448	1.6
71.01375	9.8
72.99303	44.3
73.02943	0.7
73.99654	1.2
75.00867	100.0
76.01218	1.4
79.01860	0.6
79.64499	0.5
81.03444	0.8
83.01385	1.9
84.02168	1.4
85.02946	27.0
86.74409	0.4
87.00885	2.8
87.73999	0.6
89.02457	1.0
95.01385	3.9
96.96014	2.4
97.02927	3.4
98.20670	0.8
99.00866	5.5
99.04549	0.6
100.98780	0.9
103.00341	1.2
109.02951	1.9
111.00867	1.5
112.01655	2.3
112.68884	0.6
113.02442	18.3
114.02763	0.8
115.00353	6.3
116.01102	1.2
116.97462	0.7
116.98302	14.9
117.01927	1.5
119.03499	0.6
125.02477	0.9
127.03976	0.6
129.01926	1.4
130.99858	1.4
133.01430	4.5
146.06070	0.6
157.01451	1.1
158.99335	1.0
173.07161	1.0
174.98895	0.6
233.02982	0.8
243.11438	0.6
291.03403	2.3
297.12488	2.2
315.38208	0.5
319.53699	0.6
323.10400	1.6
362.09607	0.5
391.26520	0.7
393.28122	2.3
451.32089	1.2
455.35190	1.0
473.30981	0.5
495.31250	0.9
497.32306	2.9
498.32962	0.6
515.33636	2.7
553.31360	0.7
569.38397	8.9
570.38995	1.1
611.36328	0.8
613.37793	1.7
629.36694	3.3
673.35822	2.9
674.36249	0.8
687.37469	7.4
688.38269	1.9
690.36475	1.0
691.36835	34.9
692.36792	5.5
731.36206	3.4
732.37091	0.7
747.35754	1.2
749.37402	17.2
750.38110	3.8
775.42944	1.1
779.38550	0.8
791.34924	1.6
792.36047	0.9
807.37921	30.9
808.38257	6.7
819.30518	4.0
820.30945	1.8
851.37701	11.8
852.38470	2.6
852.43958	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	849.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.7
59.66527	1.0
60.99308	1.7
64.91353	1.1
67.01890	1.9
68.99831	2.0
69.03455	2.3
71.01380	18.3
71.18707	2.3
72.99304	96.1
75.00869	100.0
79.66110	1.0
81.03447	2.4
83.01373	2.0
84.02174	1.7
84.12736	1.1
85.02950	44.8
87.00883	6.3
89.02441	2.7
95.01381	6.0
96.96007	5.2
97.02956	5.9
99.00880	9.8
100.98772	1.9
103.00350	2.2
109.02946	3.1
111.00889	2.4
112.01672	3.2
113.02444	28.5
113.03232	1.7
115.00369	15.8
116.01143	2.8
116.98296	38.2
117.01962	3.2
125.02421	2.6
129.01918	3.2
133.01448	10.4
139.00365	1.7
156.71529	1.6
157.01424	2.1
158.99287	2.1
174.98856	1.5
175.02457	1.2
233.03032	1.7
280.82071	1.2
281.10095	1.1
291.03683	6.1
304.19055	1.3
409.27103	8.3
435.29227	2.0
437.26642	1.8
465.29922	1.1
467.31665	16.7
468.32028	1.4
509.33353	1.4
513.32385	7.3
514.32562	2.0
523.30731	3.4
567.33807	2.6
581.34619	6.0
609.34094	3.9
613.33362	1.5
627.35388	17.5
628.35870	2.8
671.34033	12.1
672.34906	1.8
685.35870	13.4
686.35913	3.5
689.35309	93.0
690.35773	15.9
729.35071	11.7
730.35101	2.7
745.34454	2.7
747.35870	40.4
748.36774	6.7
777.36627	1.8
786.46466	1.2
789.33020	5.9
790.33990	3.4
805.36432	68.7
806.36780	14.8
849.35406	35.4
850.35358	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	847.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	35.2
61.98805	1.4
67.01861	1.1
69.03436	4.5
71.01374	37.1
71.50298	1.0
71.63161	1.2
72.99294	6.6
73.02935	6.7
75.00861	1.6
79.95733	28.2
80.96511	17.4
83.01373	13.0
85.02944	19.6
87.00880	7.4
89.02437	19.3
93.09307	1.0
94.98077	2.4
95.01401	4.7
95.95208	3.4
96.96003	91.9
97.02954	5.2
99.00884	4.9
99.04527	1.7
101.02437	20.8
111.00866	22.6
112.47424	0.9
113.02429	15.2
115.04021	1.4
119.03486	6.5
120.95987	2.6
121.02908	0.9
125.02471	1.3
127.00346	1.1
129.01910	9.2
134.03726	1.3
137.02451	5.0
138.97076	8.4
141.01915	8.5
143.03450	1.0
150.03111	1.2
151.00334	2.3
151.04004	0.9
154.96521	1.3
159.02979	1.5
161.04462	1.3
164.04617	1.2
165.01913	13.7
165.05482	1.8
166.02716	6.3
166.96509	1.0
173.04562	1.6
178.02611	1.0
179.03473	3.2
180.04248	8.0
181.05060	7.2
190.06586	0.9
191.05557	3.2
193.05113	1.0
195.06587	12.7
210.05293	1.2
210.99066	1.2
218.05423	1.0
225.07712	7.9
230.91856	1.1
235.16966	7.7
238.98663	12.6
241.00218	7.2
251.16402	3.6
256.62509	0.9
256.99695	33.9
257.99976	1.2
259.01215	6.4
262.58655	0.9
266.11221	0.8
268.16382	1.0
295.19604	1.1
353.10678	1.6
361.10513	5.2
361.60541	1.2
387.14828	1.3
413.16913	1.5
413.21768	14.8
414.22192	1.0
417.15491	7.8
595.21906	7.7
605.27936	3.5
626.39514	1.0
643.24036	3.8
685.24072	4.3
685.37079	1.5
767.33459	23.6
768.33862	5.2
847.28967	100.0
848.29242	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	843.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01344	0.6
65.00301	0.8
70.93542	0.9
87.15725	0.4
96.80088	0.5
96.91956	0.4
96.95961	0.9
107.01340	1.6
109.02969	0.7
133.02924	0.6
135.00774	0.4
142.64265	0.4
143.04945	0.5
147.00908	0.5
147.31709	0.4
149.11728	0.4
151.00356	4.0
169.01274	0.6
171.04448	0.8
175.00279	0.6
175.03972	0.4
178.99837	1.0
187.04024	0.6
199.04005	3.3
201.01880	1.0
215.03416	1.4
226.02576	0.8
227.03476	3.6
243.02946	5.0
255.02933	3.1
271.02444	60.1
272.02768	4.5
299.01941	100.0
300.02606	24.1
301.03418	9.8
302.04074	0.5
462.07999	18.9
463.08417	3.0
557.22253	0.5
637.13977	16.7
638.14355	2.1
663.67499	0.5
757.18884	1.2
799.19281	52.1
800.19733	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	847.269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.4
60.32278	0.9
69.03440	1.7
71.01376	22.5
72.99298	6.2
73.02938	4.9
75.00874	14.6
76.97031	1.1
78.42496	0.8
79.95734	29.9
80.96511	16.6
83.01371	6.2
85.02941	25.9
87.00869	13.0
89.02429	3.7
94.98064	2.8
95.01385	7.6
95.95220	3.8
96.96001	100.0
99.00871	14.4
101.02439	7.2
103.00352	3.0
111.00870	14.4
113.01678	1.7
113.02433	20.9
113.03224	1.2
115.00343	3.3
117.01898	3.2
120.96006	2.6
121.02943	69.9
122.03301	2.1
127.00340	2.0
129.01938	8.7
138.97052	10.3
157.01515	1.1
159.02995	2.2
166.96542	1.4
175.02475	2.5
189.98621	0.9
190.96654	1.2
192.98166	0.9
193.03430	1.0
210.99075	2.2
229.30443	1.3
235.16986	5.5
238.98621	12.2
241.00177	7.0
251.16473	2.9
256.31433	0.8
256.97006	1.7
256.99683	31.9
258.00058	1.5
259.01242	7.1
371.10175	0.9
413.21771	1.7
544.28174	0.9
605.25916	2.5
767.31262	49.4
768.31506	9.6
847.26874	93.5
848.27325	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	839.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65059	0.9
59.01379	17.3
61.98806	1.9
67.01855	1.4
69.03424	1.3
71.01003	1.6
71.01377	27.8
71.62852	1.6
72.99302	10.4
73.02943	6.1
75.00870	22.9
82.37341	0.9
82.71556	0.8
83.01350	3.9
85.02946	29.4
85.88506	0.9
87.00881	5.3
89.02438	4.6
89.99782	0.8
94.14592	0.8
95.01381	6.1
96.95998	4.3
97.02910	1.2
99.00880	13.5
99.04491	1.6
101.02437	9.4
103.00329	2.1
113.02441	23.5
115.00281	1.9
116.23624	1.0
117.01855	2.5
117.03406	1.9
119.60415	0.9
129.01883	2.8
132.02156	4.5
133.02893	2.2
134.03729	17.5
137.02379	1.8
138.90338	1.0
149.02357	1.0
149.05956	1.2
150.03209	4.4
159.02911	1.1
160.01649	15.5
161.02373	2.0
165.01880	5.7
165.05528	5.0
175.02385	2.5
175.03903	14.1
177.01924	1.0
178.28600	0.8
179.03433	1.1
180.04153	3.3
193.05006	8.8
195.06578	6.4
220.85442	1.0
225.07515	3.5
231.04884	1.9
233.22781	0.9
235.16994	8.7
249.06027	6.5
251.16333	2.7
267.07166	1.9
293.40430	0.9
413.21762	9.6
485.23102	2.1
526.70764	0.9
661.28021	1.2
663.28735	16.2
664.28705	2.5
821.31921	1.9
838.42474	3.4
839.32581	100.0
840.33374	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	840.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.0
61.98815	1.3
66.97643	0.6
69.96157	0.6
70.02971	1.0
71.01391	1.2
71.02503	4.2
72.00897	4.0
72.99308	0.9
73.04072	5.0
74.02469	12.3
79.95732	1.3
81.81135	0.6
82.01712	1.5
82.02977	2.0
83.02495	1.5
84.00899	1.3
84.04533	1.6
85.02927	0.9
85.04059	0.7
86.02447	1.0
87.05636	10.9
88.04021	3.1
95.95218	1.3
96.04546	1.8
96.96011	4.7
97.00404	1.1
97.04078	1.8
98.01219	1.0
98.19847	1.6
99.01990	4.3
99.05641	1.7
101.02448	0.8
101.07194	8.5
109.04052	3.6
110.01263	0.9
110.02460	2.0
111.01984	1.4
111.05610	1.0
112.02767	0.8
112.04036	0.8
113.02401	1.1
113.03564	22.3
113.07247	3.8
115.08759	11.1
116.05052	24.3
117.05357	0.7
118.06635	3.3
123.05632	1.5
125.03599	0.8
125.07200	7.2
126.05763	0.6
126.06707	3.6
127.05122	12.5
127.08756	1.2
129.06627	0.8
134.03677	0.6
137.02512	0.7
137.03532	1.7
137.07193	2.9
138.05609	0.9
139.05147	2.2
139.08739	1.6
140.07175	0.9
141.06677	5.9
142.06627	5.0
143.07002	1.1
143.08217	1.5
144.07779	7.7
145.05122	1.1
145.06184	10.9
146.06082	1.2
149.07121	1.0
150.03201	1.0
150.20892	0.7
151.04062	0.6
151.05159	4.4
152.05901	1.1
152.08171	0.8
153.05507	1.2
153.06689	17.5
154.09833	1.9
155.08247	6.1
157.07654	1.3
158.06148	0.9
158.09311	3.9
159.09253	5.9
165.01898	0.8
165.05473	0.8
165.06705	0.7
166.09908	0.7
167.08238	5.0
170.07967	1.2
170.09341	16.8
171.04207	0.8
172.10913	7.8
173.07164	2.4
173.09319	1.6
175.08743	1.4
177.06708	0.9
179.04599	3.9
179.08308	0.7
181.09776	0.8
182.09305	2.1
182.12952	1.0
184.07323	1.1
184.10867	1.5
185.07211	1.0
186.05537	1.6
186.12389	1.2
187.05058	3.3
189.06610	3.4
193.06168	1.9
194.09335	0.8
195.06552	0.7
198.08855	2.6
201.06668	2.2
202.08340	0.8
203.08240	25.5
204.08658	1.0
206.09332	4.2
207.07706	1.5
218.09244	1.2
220.10844	1.3
224.10379	4.0
225.10338	1.2
225.13634	3.8
227.11499	2.5
228.09795	1.4
230.13020	5.1
237.13557	1.4
240.11420	1.0
244.13002	1.2
253.13104	0.7
256.14606	2.1
257.16101	0.7
268.11102	0.8
274.11911	10.0
274.14957	1.1
281.12448	0.8
286.94611	0.7
287.15112	5.8
295.14172	0.9
299.15054	2.0
301.15253	1.2
317.16116	2.5
317.59711	0.6
317.93622	0.7
331.14023	2.3
339.13123	1.3
353.15906	1.2
356.15427	0.9
371.17252	7.2
372.17621	1.1
386.22034	3.3
389.46262	0.7
396.16461	1.0
412.19769	1.0
426.17578	1.0
430.20926	1.7
456.18884	1.7
468.18808	7.5
469.19406	1.4
485.21518	16.1
486.21890	2.0
487.22675	1.5
632.28333	16.3
633.28552	2.9
822.35291	0.8
840.36792	100.0
841.37152	27.6
847.48114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.9
59.01377	19.3
61.98830	0.5
67.01885	1.4
68.99792	1.0
69.03464	0.4
70.99143	0.7
71.01381	15.8
71.45383	0.2
72.99306	4.8
73.02956	1.7
75.00867	6.2
83.01380	5.2
85.02952	13.2
87.00857	1.6
89.02443	9.0
95.01381	6.6
96.96004	0.5
97.02933	1.4
99.00869	5.3
101.01767	0.4
101.02441	8.0
111.00880	5.9
112.01647	0.5
113.02442	11.2
114.02723	0.3
115.00349	0.4
119.03490	2.5
129.01907	1.0
130.99821	0.3
131.03503	0.4
139.00377	2.4
157.01372	1.2
161.04562	0.5
175.02454	0.2
179.05452	0.3
288.85950	0.2
375.38879	0.3
474.41797	0.3
481.33490	0.5
497.32709	1.9
499.34283	4.1
500.34967	0.6
527.33777	2.0
555.33063	0.8
581.34619	0.6
593.34741	0.3
595.36243	2.0
596.36725	0.4
613.37555	1.5
614.37842	0.3
614.56689	0.3
675.37262	0.5
793.37067	0.3
837.42725	100.0
838.43042	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.4
59.91784	2.6
61.98836	4.0
68.99819	16.8
71.01376	28.2
71.62051	3.5
72.99303	3.8
73.02945	5.5
75.00854	5.3
83.01398	9.4
85.02948	20.7
87.00863	5.0
95.01376	6.2
96.95960	3.6
99.00874	12.7
101.02425	5.6
110.95449	2.5
111.00893	8.2
113.02452	4.0
120.26591	2.6
123.00908	5.9
125.02475	3.4
131.03438	14.2
139.00368	5.3
153.01935	28.6
157.01544	3.7
171.54810	2.9
191.05594	11.6
194.75224	2.8
214.45715	2.7
253.60120	2.9
274.29013	2.6
453.33731	23.6
455.35269	90.8
456.35492	10.5
537.35760	25.0
585.38013	51.7
586.38306	10.0
609.37933	81.4
610.38074	13.4
613.37610	7.4
628.39355	3.2
745.41364	4.4
777.44305	100.0
778.44653	21.8
847.91083	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	839.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.2
69.34650	1.2
69.35072	1.4
71.01379	1.1
72.99321	0.3
74.24773	0.3
79.95730	2.5
80.96516	1.2
85.02927	0.7
87.00863	0.4
95.95235	1.1
96.96001	41.6
98.19794	0.7
98.95589	0.6
101.02390	0.4
121.02953	0.9
122.97604	0.7
138.97031	0.9
150.03201	0.6
150.97009	0.8
180.98163	0.6
198.99167	0.4
241.00191	2.3
249.06110	0.6
256.99591	0.5
267.63812	0.3
286.36368	0.3
323.18082	0.3
371.09659	2.1
423.12982	0.4
465.14090	1.0
466.14706	0.8
467.15833	100.0
468.16144	9.9
617.22308	0.7
750.47223	0.4
843.27557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.1
59.01374	16.8
61.98825	0.7
67.01883	0.6
68.99816	1.8
69.88146	1.7
69.88561	1.0
71.01376	23.6
71.75144	0.5
72.99303	12.6
73.02951	2.4
75.00869	22.5
83.01396	3.1
85.02942	17.4
85.03442	1.0
86.03311	0.5
87.00872	2.1
89.02441	7.4
95.01383	4.5
96.96016	2.5
97.02934	0.9
99.00871	15.2
101.02440	7.8
111.00870	1.3
112.01662	1.1
113.02444	11.3
115.00398	1.9
116.98286	3.0
118.13009	0.6
119.03496	2.1
133.01454	0.6
150.54735	0.5
157.01442	1.6
175.03986	0.5
193.05026	0.5
195.39658	0.6
255.39799	0.5
291.03635	0.8
439.32355	1.1
466.68353	0.7
481.33224	0.8
497.32614	3.4
499.34396	2.6
501.32062	1.0
541.35730	1.0
553.35419	0.8
567.37109	1.2
581.34674	0.8
613.37463	3.6
614.38391	0.9
615.35547	0.8
631.38336	0.7
657.36987	2.9
673.35938	1.5
675.37500	0.6
677.35327	6.4
678.35736	1.3
717.35394	1.1
735.35846	2.6
793.36566	5.4
794.37054	1.3
837.42950	100.0
838.43341	22.3
838.59393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.3
61.98824	4.5
69.03445	2.4
70.61140	2.0
70.87203	1.9
71.01384	16.8
72.99302	52.5
73.02928	3.0
73.78791	2.1
75.00865	100.0
83.01386	2.5
85.02943	54.6
87.00883	9.8
89.02457	4.3
89.90508	2.3
95.01368	7.0
96.95992	7.3
97.02953	4.8
99.00863	7.5
100.98806	3.8
103.00372	3.8
111.00826	3.7
113.02447	27.4
115.00341	9.7
116.01120	2.5
116.98299	18.9
129.01846	2.7
130.99837	3.5
133.01413	8.4
170.57692	2.0
183.02420	2.2
195.54372	2.2
291.03574	5.2
437.30338	2.5
439.31937	3.6
464.61435	2.2
501.32184	6.1
553.35291	3.2
613.37262	2.9
615.35333	8.3
631.37561	2.1
647.44208	2.1
659.34924	2.9
673.36182	13.1
674.35944	3.7
675.37054	6.0
677.35272	43.7
678.35785	5.5
705.33215	2.6
717.34851	10.0
735.35925	24.0
736.36035	6.4
777.32874	5.8
793.36469	42.1
794.36200	10.4
837.44281	88.9
838.44647	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.4
61.98827	1.7
67.01876	1.7
68.21744	0.7
68.99816	2.3
69.03439	1.1
71.01378	12.5
72.99306	21.2
73.02971	0.9
75.00868	78.4
76.01208	1.0
79.40620	0.8
83.01397	3.3
84.02146	0.9
85.02944	41.9
86.03326	1.2
87.00890	4.5
89.02457	1.1
95.01389	6.7
96.95999	3.7
97.02959	1.1
97.92013	0.6
98.19874	3.1
99.00871	7.2
100.98824	2.0
103.00350	1.0
109.02917	0.9
111.00861	1.5
112.01656	1.1
113.02445	20.2
115.00340	3.9
116.98285	7.7
117.01933	1.5
129.01955	2.4
130.99878	1.0
132.22600	0.7
133.01430	3.5
157.01439	2.1
175.02472	1.4
227.27209	0.7
291.03650	0.8
437.30853	1.2
439.32220	0.9
499.34369	4.3
501.32153	1.8
541.35577	1.9
553.35803	1.1
597.34869	0.9
613.37335	8.0
614.38019	0.9
615.35736	3.3
616.36029	1.0
631.39099	1.3
657.36951	1.6
659.34369	1.6
673.36377	4.0
674.37610	0.9
675.37555	8.1
676.38385	2.2
677.35175	13.7
678.36072	3.4
705.35492	1.2
717.36029	2.2
735.36005	8.0
736.36395	1.8
793.36578	11.3
794.37384	2.5
837.43201	100.0
838.43542	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27890	0.2
61.98825	100.0
70.64446	0.2
70.64809	0.8
80.96507	0.6
105.06476	0.2
105.34949	0.2
125.65855	0.2
169.97894	0.2
231.73717	0.3
277.21735	0.3
499.62909	0.3
574.64832	0.3
597.55536	0.3
837.47766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.4
61.98827	3.3
64.08516	0.9
67.01889	1.3
68.99809	15.1
71.01373	9.7
71.62318	1.4
72.99314	8.7
75.00868	55.9
76.01220	1.0
77.98878	0.8
79.95783	1.1
81.03453	0.8
83.01375	2.8
85.02946	33.0
85.71456	0.9
87.00868	2.4
89.02437	2.2
95.01383	6.7
96.96011	7.6
97.02931	1.0
99.00895	2.7
101.02461	1.3
108.02170	0.8
109.02962	4.4
111.00873	1.2
112.01644	1.8
112.98853	0.9
113.02448	14.8
115.00457	0.8
116.98299	1.1
117.01952	2.2
120.95029	0.9
121.02988	4.1
122.03717	4.6
123.00890	9.9
123.04527	1.2
124.01694	1.4
125.02442	7.0
129.01959	1.0
130.99844	1.2
132.02151	0.9
133.03033	0.8
134.03758	1.5
136.01656	1.3
137.02438	7.8
138.03217	20.1
139.04013	4.2
146.03760	2.2
147.00853	1.4
149.02437	12.2
149.06078	1.1
150.03212	33.1
151.00294	1.8
151.03996	4.5
153.01941	8.2
153.05563	28.6
160.01630	1.7
161.02458	1.0
162.03264	2.3
163.00298	1.2
163.03957	1.3
164.04762	2.3
165.01917	10.8
165.05554	23.8
165.06853	1.8
166.02673	5.6
166.05861	1.1
168.04269	20.7
175.00319	9.5
175.02518	1.4
175.03926	0.9
176.01135	25.7
177.01897	17.1
177.05426	1.2
178.02698	10.1
179.03488	3.1
179.07115	12.8
180.04233	6.5
181.05020	5.8
190.02687	1.5
191.03477	17.9
192.04256	30.1
193.01405	16.4
193.05042	13.2
194.01898	0.9
195.06572	9.4
205.05077	1.7
207.06616	33.0
208.03748	26.1
208.06882	1.2
209.04491	4.3
219.06529	2.1
223.06090	66.0
224.06549	3.6
276.92459	0.9
311.57150	0.9
337.43143	0.9
340.50626	1.2
357.75620	0.8
387.10684	1.1
417.15533	1.9
499.34186	3.3
541.35614	1.4
565.20673	1.2
613.37280	5.5
631.38660	1.7
640.21564	13.3
641.22351	7.6
675.37500	7.9
676.37109	2.2
677.36078	2.5
695.23309	1.6
713.24756	1.0
717.37091	1.4
735.37280	1.0
771.26526	1.1
789.27557	2.1
819.28357	2.4
837.29181	21.8
837.42755	100.0
838.29547	5.5
838.43121	19.2
859.21106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
60.99280	0.9
63.55471	0.7
65.55248	0.5
67.01870	1.7
68.99815	1.9
69.03457	0.7
71.01369	11.3
71.19178	1.6
72.99300	66.3
73.02963	1.2
73.99635	1.0
75.00863	100.0
76.01192	1.2
81.03452	0.8
82.83051	0.6
83.01388	2.0
84.02145	1.8
85.02943	36.1
86.80922	0.6
87.00878	2.3
89.02454	1.2
95.01373	5.3
97.02932	2.1
99.00873	5.4
100.98799	0.9
103.00356	1.1
109.02956	2.6
111.00892	2.1
112.01644	1.6
113.02442	23.7
115.00365	9.5
116.97459	1.3
116.98293	25.2
117.01920	1.6
125.02444	1.3
125.70948	0.5
127.03941	0.8
129.01944	1.6
130.99869	1.4
133.01413	7.6
157.01460	1.2
158.99370	0.6
174.98799	0.9
175.02490	1.1
212.16171	0.6
291.03528	3.3
497.32614	2.9
499.34201	12.2
500.34641	2.5
527.33832	1.8
599.35858	2.7
613.37421	2.8
657.36493	5.2
671.37866	13.6
672.38293	2.2
675.37408	56.0
676.37793	12.5
715.36768	5.2
731.36578	2.3
733.37964	27.7
734.38257	5.2
763.39423	1.8
766.00592	0.7
775.35132	1.0
776.35431	3.6
791.38507	48.5
792.38782	12.3
835.37482	25.4
836.38135	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	835.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.6
59.01371	3.4
60.99300	1.0
67.01883	2.1
68.99805	1.6
69.03460	0.7
70.36192	2.3
70.36543	0.6
71.01380	11.0
72.99303	65.2
73.02944	0.7
75.00867	100.0
76.01203	0.9
76.91730	0.5
81.03462	0.8
83.01389	2.4
84.02165	1.4
85.02945	35.2
87.00865	2.3
89.02441	2.0
95.01381	5.9
97.02937	2.9
99.00879	5.3
99.04499	0.8
100.98744	0.6
103.00365	1.4
109.02946	2.5
109.67083	0.6
111.00869	2.1
111.37468	0.5
112.01649	2.2
113.02438	24.4
114.02777	0.9
115.00372	8.2
116.01170	0.8
116.98293	21.2
117.01921	1.4
120.68114	0.5
125.02489	0.6
129.01904	1.2
130.99841	1.4
133.01430	6.4
157.01410	1.5
158.99229	0.7
174.98846	0.9
175.02470	0.8
186.27765	0.6
230.68517	0.6
291.03510	1.2
393.27786	0.9
421.30566	0.7
481.33496	1.0
497.32581	1.8
499.34238	11.4
500.34735	1.9
527.33789	1.6
536.44708	0.6
541.35352	0.6
553.35077	0.9
555.33014	0.9
595.36884	0.7
599.35858	2.9
613.37555	2.2
657.36389	2.7
658.36835	0.9
671.37622	6.8
672.38037	1.2
675.37390	33.9
676.38007	5.8
715.36816	2.8
731.35498	0.8
733.37854	12.5
734.38733	2.1
776.36340	1.8
791.38489	25.9
792.38922	3.8
835.37463	10.8
836.37646	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	833.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
60.99287	1.1
65.82815	0.7
67.01887	2.0
68.99818	2.5
69.03443	2.0
71.01379	13.2
71.57954	1.2
72.99302	56.4
75.00866	100.0
81.03449	2.3
83.01380	4.2
84.02171	0.8
85.02944	42.9
87.00866	4.1
88.56178	0.7
88.98796	0.7
89.02446	1.3
92.71189	0.7
95.01381	6.6
96.95990	1.4
97.02954	3.8
99.00877	6.9
99.04493	0.9
100.98809	1.0
103.00385	1.0
109.02945	3.2
111.00854	2.6
112.01659	1.8
113.02439	27.5
113.03235	1.4
115.00375	9.3
116.98292	24.2
117.01905	1.4
125.02412	1.7
129.01927	1.5
130.99832	1.1
133.01421	6.9
153.01918	1.3
157.01364	1.4
158.99406	0.9
174.98776	1.1
175.02481	1.1
180.64342	0.7
196.14653	0.7
231.34023	0.8
291.03580	3.3
334.45581	0.7
378.13297	0.8
393.27960	2.6
405.53531	0.7
421.31259	1.3
474.90549	0.7
497.32709	1.7
611.35541	1.4
655.35022	5.0
656.34406	0.9
669.36426	13.0
670.37012	2.2
673.35834	55.6
674.36194	10.3
713.35291	7.5
714.35284	1.7
729.35101	2.1
731.36304	30.4
732.36902	5.4
773.34583	3.1
774.34485	2.8
789.36963	52.5
790.37329	9.9
833.19678	1.1
833.35901	23.3
834.36151	5.2
838.43933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.1
59.25490	0.7
65.21701	0.5
71.01393	2.4
71.63473	1.0
73.02959	0.7
79.95737	12.1
79.96183	0.9
80.96525	3.2
82.95420	0.5
83.01400	0.9
84.95152	0.9
85.02950	0.8
87.00872	1.3
89.02431	0.7
93.03448	4.0
95.01403	1.0
95.05052	0.6
95.95215	3.8
96.96003	24.3
98.95581	0.7
99.00865	0.8
101.02461	0.6
108.02140	0.6
109.02915	0.9
111.00894	1.6
116.27826	0.5
119.05016	1.5
121.02949	5.5
122.03728	15.6
123.04567	0.8
127.00357	0.5
129.01939	1.5
132.02191	0.8
133.02974	1.7
134.03735	0.9
135.04523	1.8
136.01656	1.6
137.02466	1.6
138.97089	1.3
146.03575	0.6
149.02428	30.7
150.03210	99.8
150.97061	1.6
151.00412	3.2
151.03540	4.1
151.97737	0.7
153.01952	1.1
160.01593	0.8
161.02356	0.6
163.04007	0.7
164.04782	7.1
165.05550	100.0
166.05856	4.0
175.03931	1.2
177.04163	0.7
177.05522	2.9
178.99831	1.6
179.07161	0.9
180.04254	6.7
181.04916	0.6
190.06456	0.7
192.07959	0.8
195.06602	58.9
196.06952	1.9
203.07103	0.7
207.79671	0.5
209.06427	0.5
224.06856	1.1
238.06334	0.8
238.98682	3.1
241.00217	2.2
256.07510	0.9
256.99701	5.5
268.07379	2.7
271.09674	0.7
279.10297	0.8
281.08377	0.7
283.09671	2.2
284.06921	0.7
293.08267	0.7
295.06174	0.6
295.09552	0.8
296.06851	1.1
297.07703	1.2
297.11298	1.3
299.09186	0.8
301.03586	4.3
307.09702	1.3
308.06982	1.3
308.10168	1.1
309.07614	2.0
309.10806	0.7
311.09152	1.8
312.06271	2.5
312.09409	0.7
321.07587	0.7
322.08206	1.1
323.09189	4.0
324.06348	1.6
324.09940	2.7
325.10672	1.9
326.07919	1.0
326.11456	3.8
327.08792	6.6
327.12311	1.3
328.09186	1.0
337.10944	1.0
338.11469	2.1
339.08694	13.5
339.12369	2.7
340.08997	1.9
341.10245	0.8
341.13922	2.1
342.10983	9.5
343.11481	0.8
354.11023	6.5
355.11523	0.9
357.13370	25.3
358.13620	2.3
360.09866	39.9
360.60025	11.3
361.09900	5.8
361.59882	0.8
369.13367	39.1
370.13791	4.4
455.03870	0.7
461.15985	1.5
463.08722	4.7
463.19949	2.4
467.29321	0.6
472.15149	1.4
473.15979	0.7
475.17383	1.2
479.19519	1.4
487.17392	1.6
488.17462	0.7
505.18652	3.5
517.18658	4.2
518.18384	0.7
535.19672	41.2
536.19885	7.0
553.20850	0.9
565.20721	1.8
577.20844	1.6
583.21765	55.1
584.22150	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	829.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.6
61.84550	0.7
61.98824	2.0
68.99813	1.7
69.03448	2.2
70.52791	2.7
71.01377	13.3
71.05012	4.2
72.99303	4.8
73.02943	3.5
75.00864	3.9
79.95731	34.2
80.96507	19.8
83.01372	5.7
85.02948	11.6
87.00858	8.9
87.04514	1.2
89.02435	3.8
91.58345	0.6
93.03411	1.1
94.98081	2.5
95.01369	2.3
95.95222	3.5
96.96001	100.0
97.02953	3.6
99.00882	6.5
99.04503	4.5
101.02432	5.2
111.00874	18.1
112.01247	1.0
113.02432	6.3
115.00359	1.3
115.03992	4.8
117.05599	6.0
120.95992	3.4
127.00371	2.2
129.01936	12.9
134.03694	1.5
137.02400	3.0
138.97050	8.6
141.01941	1.4
143.03487	14.6
150.03223	1.1
154.96550	1.4
159.02991	3.5
161.04546	28.6
162.04871	1.3
162.97168	0.8
177.04062	1.1
180.97969	1.0
191.05571	1.9
192.98048	1.0
193.05038	1.3
195.06406	1.0
209.06647	0.9
210.99113	3.0
235.17056	3.6
238.98639	18.7
241.00169	7.3
249.06190	1.1
251.16388	2.8
256.99692	49.2
258.00040	1.4
259.01193	3.4
267.06937	1.0
348.43860	0.8
407.09351	0.8
413.21524	2.9
605.28217	9.0
606.27832	1.5
749.32275	15.7
750.32501	2.7
829.27850	70.9
830.28210	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	829.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
60.67889	0.3
67.01894	0.7
68.99797	1.3
69.03436	0.4
69.87177	0.5
69.87572	1.5
71.01384	4.4
72.99299	2.6
73.02924	0.9
73.99635	0.3
75.00867	36.1
78.34925	0.3
83.01371	1.2
84.02163	0.6
85.02946	20.4
86.03279	0.5
87.00870	2.1
89.02426	0.3
93.84449	0.3
95.01385	3.0
96.95994	1.0
99.00869	2.0
111.00896	0.4
112.01704	0.7
113.01684	0.6
113.02444	9.0
114.02734	0.5
115.00361	1.1
116.01127	0.3
117.01949	0.7
129.01930	0.8
157.01410	1.0
175.02393	0.4
272.51489	0.4
290.16376	0.3
343.68503	0.4
434.60831	0.4
453.33813	0.5
455.35223	4.0
497.36444	1.2
509.36163	0.5
511.34061	0.5
569.38367	6.8
570.38715	0.9
571.36493	0.4
583.39899	0.5
587.39484	0.8
613.37396	0.7
631.38538	7.0
632.38849	1.8
641.93280	0.4
793.43726	100.0
794.44061	26.4
794.59326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
61.98825	100.0
62.98535	0.4
67.01890	0.6
68.99781	0.5
71.01380	6.5
71.01762	0.7
72.99305	1.2
73.02941	0.4
75.00873	2.1
81.84092	0.3
83.01389	1.8
85.02944	5.3
87.00860	0.5
89.02433	3.7
95.01373	2.9
98.20682	0.6
99.00876	2.8
100.83289	0.3
101.02447	0.5
111.00868	3.2
113.02446	4.2
120.69356	0.3
131.03481	0.5
139.00360	1.4
174.95413	0.3
193.92299	0.3
205.83942	0.4
223.13696	0.3
331.08600	0.3
453.33829	0.7
455.35092	2.2
468.33276	0.3
483.34836	1.6
537.35736	0.4
551.37329	1.8
552.37469	0.4
569.38354	1.3
631.38342	0.5
763.42645	71.4
764.42938	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	827.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.3
59.01377	16.7
67.49044	1.3
68.01658	1.4
68.99815	2.1
69.11304	1.2
70.62737	2.4
70.63076	2.0
71.01379	25.3
72.99313	8.3
73.02933	4.0
75.00871	17.6
79.95735	25.2
80.96517	17.7
83.01391	7.0
85.02947	25.5
86.60648	1.3
87.00882	13.2
89.02431	4.5
95.01367	5.6
95.59554	1.4
95.95224	2.7
96.96004	94.7
99.00878	13.2
101.02437	4.8
101.06076	44.6
102.06434	1.2
103.00363	3.0
111.00874	16.7
112.47514	1.2
113.02446	23.5
115.00344	3.8
117.01954	2.7
120.95993	2.0
129.01918	8.0
138.97066	11.0
175.02515	2.8
210.99202	1.9
235.16959	6.0
238.98654	14.5
241.00182	6.9
243.96202	1.4
249.06131	2.1
251.16423	3.5
256.99713	31.6
257.99969	1.2
259.01212	5.5
321.67053	1.4
351.13016	1.9
413.21771	7.7
493.54562	1.6
585.29053	4.6
747.34412	47.5
748.34595	10.7
827.30066	100.0
828.30554	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	0.6
59.01089	0.5
59.01375	7.2
61.98826	100.0
67.01882	0.6
67.47078	0.3
68.33247	0.2
70.75702	0.7
71.01377	7.0
71.01762	0.5
72.33611	0.2
72.99315	2.1
73.02934	0.7
75.00862	2.3
83.01384	2.4
85.02944	5.6
87.00871	0.4
89.02435	4.3
95.01375	2.9
97.02950	3.1
99.00858	2.6
101.02444	0.6
111.00877	3.2
113.02446	4.6
122.47050	0.3
129.01926	0.7
131.03500	0.5
139.00366	1.8
157.01390	0.5
161.04887	0.2
292.01337	0.3
376.34653	0.3
409.34363	0.6
453.33499	0.6
523.37628	0.5
631.38171	0.4
719.43579	1.1
763.42645	69.7
764.42926	15.2
764.57043	0.5
785.41492	0.3
785.91071	0.4
791.79242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.3
59.01377	5.9
61.98825	100.0
62.75675	0.3
67.01898	0.7
68.99804	0.4
70.75599	0.6
70.75915	0.3
71.01376	5.9
72.99306	1.4
73.02947	0.5
75.00866	2.3
75.56010	0.3
75.67415	0.3
82.06794	0.3
83.01388	1.7
85.02950	5.2
87.06009	0.3
89.02431	3.6
94.78078	0.2
95.01398	2.9
99.00870	3.1
101.02448	0.5
111.00875	3.1
113.02451	4.5
129.01897	0.3
131.03500	0.5
139.00339	1.7
157.01363	0.3
218.16754	0.3
289.08731	0.3
453.33713	1.3
455.35223	2.5
483.34744	1.6
523.37714	0.4
537.35376	0.4
551.37256	1.8
552.37732	0.4
569.38184	1.2
570.38104	0.4
571.36200	0.3
631.38593	0.5
756.34460	0.4
763.42645	72.5
764.42993	16.6
764.57129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.8
61.98836	1.2
67.01875	1.8
68.99806	1.8
69.03485	1.1
71.01388	10.3
72.99305	20.4
73.02948	2.5
75.00871	50.9
83.01381	3.4
84.02164	1.3
85.02946	44.2
86.03275	1.5
87.00895	6.0
89.02429	2.2
95.01355	5.8
96.95999	3.0
97.02959	2.1
99.00887	5.9
103.00366	3.3
111.00891	2.5
112.01694	2.2
113.02449	27.7
114.52518	0.9
115.00381	2.2
116.98295	2.9
117.01921	2.9
129.01961	5.4
130.99866	4.9
133.01346	1.2
157.01419	2.3
175.02440	2.3
229.46490	1.0
255.55704	1.3
376.89786	1.1
494.31674	0.9
497.32669	1.3
499.34326	8.3
500.34872	1.9
555.33228	1.1
599.35870	2.7
645.36230	1.7
663.37097	5.0
664.37909	1.2
675.37482	53.1
676.37830	12.2
691.36951	2.7
703.36371	2.6
721.38275	4.6
722.38147	1.2
732.96997	1.2
779.38672	5.7
805.40143	100.0
806.40558	23.0
823.37384	11.7
824.38470	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	825.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
60.99335	0.4
61.98819	2.7
69.03431	0.7
69.49470	3.9
70.78590	0.5
71.01379	5.9
72.99294	0.9
75.00870	2.8
79.30878	0.5
79.95731	41.4
80.96510	2.4
85.02934	3.0
87.00847	0.9
87.04565	0.5
89.02454	1.2
95.95226	61.4
96.96002	100.0
97.02912	0.8
98.20574	0.9
101.02426	1.9
109.03013	0.5
110.97581	7.9
113.02447	2.3
119.03484	0.6
121.02942	0.8
122.97574	1.3
124.01624	0.6
129.01892	0.7
134.03722	1.1
135.04503	0.9
136.01601	0.8
137.02446	1.0
138.97063	6.1
141.95706	0.8
145.99368	0.5
150.03210	0.9
150.97057	8.5
151.03946	1.3
151.97838	3.9
161.02420	0.7
162.03194	5.8
163.03964	0.7
164.98573	1.0
165.05557	1.1
167.00119	0.6
168.97998	0.7
173.32457	0.5
175.03781	0.5
176.98643	0.6
177.03976	1.4
177.05521	3.1
179.03459	0.7
180.14453	0.5
181.05028	0.7
182.62364	0.5
194.99657	1.4
195.06607	1.0
198.99092	3.2
213.00786	1.7
215.03000	0.5
222.99223	3.1
225.00661	1.0
241.00204	8.4
256.99747	4.4
259.01151	2.1
269.21872	0.5
284.21988	0.5
318.19815	0.6
361.60757	1.0
372.11923	0.7
421.08029	3.2
437.07413	0.9
745.30444	0.9
825.22559	51.6
826.22852	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	823.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
60.99321	2.8
69.93770	10.6
71.01385	12.8
72.99305	59.5
75.00868	100.0
76.94189	2.3
85.02947	42.5
87.00876	4.2
95.01373	5.5
96.95995	6.1
97.02934	5.2
99.00879	6.0
109.02921	2.3
110.65479	2.0
111.00864	5.6
113.02437	25.3
115.00372	13.3
116.98287	26.1
117.03487	2.9
129.01894	3.2
130.99889	2.6
133.01405	8.0
134.03741	25.5
136.54059	2.2
149.06090	3.1
160.01675	12.4
175.03973	7.6
193.05042	23.0
204.18979	2.5
263.03983	2.1
291.03461	4.1
487.34662	2.7
631.16650	2.5
645.35797	3.8
659.37665	11.8
662.36310	5.1
663.37360	45.1
664.37518	10.2
703.36835	9.5
721.37518	25.6
722.37891	7.5
763.35046	4.6
779.38074	46.9
780.38446	10.9
823.37427	46.4
824.37518	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	823.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
60.99279	0.8
68.99798	0.6
71.01371	4.7
72.99298	100.0
73.99655	0.8
75.00862	83.3
76.01202	0.8
79.60704	0.5
82.85320	0.5
83.01365	1.5
85.02943	18.1
86.03280	0.7
87.00871	2.8
92.81134	0.5
95.01371	3.9
96.96004	0.9
97.02906	0.8
99.00868	3.5
100.54433	0.5
103.00362	26.6
111.00819	0.7
113.02437	8.6
115.00336	1.5
116.01107	0.9
116.98260	1.0
127.71097	0.6
130.99846	57.1
132.00179	0.6
133.01392	0.7
157.01364	1.4
159.60579	0.6
307.03009	1.5
393.27933	1.2
451.32272	0.8
507.31207	0.7
663.37164	1.8
691.36835	36.7
692.37274	7.2
721.38129	1.1
747.36224	0.8
776.98126	0.6
779.38885	1.9
823.37421	74.6
824.37811	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	823.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	3.2
61.98800	0.8
70.14513	2.2
71.01376	5.6
72.99301	100.0
73.99641	1.1
75.00864	87.1
76.01240	0.7
83.01386	1.4
85.02943	21.6
87.00864	2.3
95.01382	3.4
95.31146	0.7
96.95991	3.2
97.02920	0.7
99.00864	4.1
103.00360	23.9
106.49757	0.8
111.00881	2.0
113.02446	12.6
115.00358	2.9
116.66260	0.9
116.98286	4.1
117.01912	0.9
129.01967	1.2
130.99849	46.8
133.01378	1.2
139.00354	1.0
157.01410	0.8
175.02574	1.2
178.09013	0.8
220.69229	0.8
280.65729	0.8
317.01730	0.8
371.85999	0.8
531.29333	1.6
663.37604	8.5
664.37646	1.1
673.35577	1.1
691.36920	35.9
692.37573	5.8
721.38116	5.2
722.38568	0.9
747.36078	1.4
779.38470	8.4
780.39331	1.8
823.37402	69.2
824.37775	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	821.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.5
58.00594	1.2
59.01375	22.8
66.16517	0.6
67.01875	2.9
68.99820	1.3
69.03442	0.8
71.01375	11.7
71.41785	1.2
72.99304	18.4
73.02929	4.5
73.99648	0.6
75.00867	24.9
81.03463	0.7
83.01391	5.1
85.02433	1.1
85.02945	21.0
87.00869	3.0
89.02437	3.2
95.01376	9.0
96.95962	1.6
97.02940	2.4
99.00879	10.5
101.02424	3.2
103.00378	0.9
103.04028	1.7
104.55147	0.6
104.69437	0.6
111.00868	7.4
113.02441	14.4
115.00373	2.0
115.58456	0.6
116.98267	3.6
119.03453	0.6
123.53229	0.7
125.02379	0.7
129.01965	1.4
129.51880	0.6
130.99873	1.8
133.01404	1.2
139.00365	3.2
143.03539	0.7
157.01418	2.0
175.02519	1.1
219.50540	0.7
220.93523	0.7
253.01193	0.6
276.04773	0.6
291.03558	0.7
497.32724	2.7
499.34088	4.2
527.33929	2.6
555.33661	0.7
584.87085	0.7
595.36273	3.4
596.35754	0.8
599.36755	0.8
613.37244	1.6
657.36292	2.2
661.35852	6.8
662.36652	2.0
675.37073	0.8
701.35663	1.6
719.36353	4.7
777.36914	8.9
778.37842	1.3
821.43463	100.0
822.43781	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	9.6
59.01361	5.6
63.46471	1.0
64.79704	1.3
65.69643	1.2
67.01885	3.0
68.99802	2.6
69.03467	2.3
69.81268	6.2
71.01369	17.6
72.99302	90.3
75.00866	100.0
76.01240	1.2
83.01370	4.4
85.02947	56.0
87.00858	4.1
89.02411	1.3
95.01376	7.4
96.95976	2.8
97.02918	1.7
99.00892	9.8
99.04508	1.5
103.00355	3.4
108.24675	1.2
109.02941	4.2
111.00889	2.5
112.01697	2.6
113.01692	2.0
113.02442	34.2
114.02723	1.3
115.00375	14.6
116.01092	1.3
116.98290	39.1
125.02446	1.3
129.01932	2.9
130.99803	2.3
133.01402	12.9
157.01427	1.6
158.99263	2.3
159.41212	1.2
174.98848	2.0
175.02406	2.2
277.14371	1.2
291.03516	4.5
301.71994	1.2
325.06384	1.2
441.33716	6.0
483.31131	3.2
485.32669	27.6
486.32889	4.3
488.02704	1.5
513.32239	2.8
527.33197	1.7
539.33679	1.6
581.34613	1.8
585.34192	4.8
599.35840	17.9
600.36304	2.7
643.34662	12.7
644.35181	3.1
657.36237	21.3
658.36652	3.7
661.35858	98.3
662.36383	19.8
674.51123	1.4
701.35254	12.1
702.35358	2.0
717.35162	1.8
719.36304	45.2
720.36530	9.9
752.01959	1.4
761.33752	3.6
762.34229	7.9
777.36945	84.4
778.37177	18.8
821.35956	57.4
822.36096	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	821.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	10.2
57.79241	1.0
59.01374	10.3
60.99304	5.6
60.99588	1.0
67.01897	3.7
68.99824	2.9
69.03467	3.4
71.01377	21.4
71.01758	1.3
72.99303	75.3
75.00866	100.0
79.95730	4.9
80.96525	2.9
81.03470	4.4
83.01389	4.2
84.02171	1.9
85.02944	56.1
86.03316	1.4
87.00864	6.9
89.02437	4.5
91.52750	1.3
91.75172	0.9
95.01374	8.6
96.96000	22.2
96.96978	1.0
97.02937	5.3
98.20571	2.0
99.00873	12.2
99.04527	3.6
101.02451	3.1
103.00362	1.8
108.04584	1.9
109.02968	4.0
111.00902	4.9
112.01698	4.0
113.02440	35.6
115.00357	13.6
116.01138	2.4
116.98296	37.7
117.01966	1.6
125.02487	2.6
127.04076	1.1
129.01956	2.8
130.99889	2.3
133.01401	10.1
134.03731	5.3
135.04538	1.3
137.02405	1.1
141.02040	1.0
152.03525	1.9
153.01921	1.3
157.01392	1.7
158.99373	1.9
160.01703	1.0
163.46983	0.9
174.98872	2.3
175.02560	2.0
175.04022	1.5
193.05113	3.0
238.98573	1.2
241.00337	2.2
256.99750	4.6
277.14813	1.7
291.03784	3.8
357.60544	1.3
373.18948	2.1
407.29672	1.5
409.31018	0.9
411.32950	1.5
421.30981	2.0
423.32993	4.1
441.33945	3.2
483.31177	2.3
485.32639	17.9
486.33401	3.1
486.84680	1.0
513.32275	2.0
527.33972	1.6
581.34595	1.6
585.34741	3.6
599.35815	14.3
600.36749	3.2
643.34845	16.1
643.43933	1.2
644.35339	2.4
657.36267	19.6
658.37067	4.0
661.35840	86.8
662.36206	16.4
701.35303	13.0
702.36401	2.2
717.35620	2.9
719.36316	45.4
720.36688	9.2
741.30206	5.4
761.34149	5.5
762.35577	3.9
763.35291	1.3
777.36969	75.9
778.37250	19.2
821.36700	44.8
822.37158	10.3
840.30621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.3
59.01373	6.5
60.81892	1.0
61.65012	1.2
67.01882	2.3
68.68933	1.1
69.03429	1.5
70.62218	1.9
70.62568	2.4
71.01379	13.3
72.99306	85.7
75.00870	100.0
81.03432	1.8
81.69170	1.3
83.01388	3.4
85.02946	48.5
86.00046	1.2
87.00890	5.3
89.02415	1.9
95.01386	7.2
96.96045	1.2
97.02933	3.5
99.00864	8.1
103.00333	2.4
109.02953	2.5
111.00867	2.8
112.01674	2.5
113.02446	30.8
115.00362	15.5
116.01197	1.2
116.98296	35.8
119.28510	1.1
125.02382	1.1
129.01938	2.7
130.99826	2.5
133.01445	11.4
157.01378	2.1
158.99362	1.9
174.98701	1.3
175.02463	1.6
213.24986	1.2
233.02885	1.6
255.97089	1.2
277.14575	1.3
280.37436	1.1
291.03430	4.6
307.32330	1.2
441.33688	3.6
467.31232	2.2
483.31061	3.4
485.32687	30.0
486.32977	4.5
500.43719	1.3
513.32159	3.1
527.33356	1.6
539.34131	1.6
585.34076	6.2
599.35797	16.5
600.36157	2.3
643.35089	12.8
644.34827	3.7
657.36328	19.5
658.36810	4.1
661.35876	87.4
662.36438	16.6
701.35736	7.9
702.35010	1.7
717.35223	2.4
719.36444	44.3
720.36938	9.6
761.34119	3.7
762.34338	5.9
777.36951	72.3
778.37103	15.2
821.35895	52.2
822.36511	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	821.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	8.6
59.01376	7.2
61.98811	2.2
64.96868	1.1
67.01887	2.5
68.99815	1.6
69.03414	1.3
71.01377	17.0
72.99303	87.6
75.00868	100.0
76.01199	1.4
79.95734	1.0
81.03442	1.9
83.01371	2.6
84.02173	1.5
85.02944	55.4
87.00859	4.0
89.02447	2.3
95.01373	6.1
96.96002	7.2
97.02946	3.9
99.00872	8.5
99.04482	1.9
100.98769	1.2
101.02429	1.1
103.00378	2.5
109.02953	3.0
111.00896	3.2
112.01656	3.2
113.01685	2.0
113.02444	34.5
115.00377	13.5
116.01167	1.4
116.98289	40.7
117.01921	1.4
125.02384	2.4
127.04019	1.1
128.30072	1.0
129.01965	3.0
130.99867	2.5
133.01422	10.6
136.01552	1.2
139.00282	1.2
153.01970	1.4
157.01399	1.8
158.99365	3.0
162.82166	1.1
174.98837	1.7
175.02493	1.3
178.53821	1.1
198.69533	1.3
229.74181	1.7
277.14429	1.3
277.24878	1.1
291.03561	4.1
331.08685	1.0
377.07599	1.1
441.33646	3.9
453.30338	1.9
467.31744	1.4
483.31024	2.5
485.32614	28.1
486.33066	6.4
513.31934	3.4
527.33679	2.0
539.33289	1.4
543.32892	1.6
581.34564	1.7
585.34149	5.7
586.33734	1.2
599.35706	16.7
600.36194	3.0
643.34827	11.4
644.35046	3.0
657.36432	18.5
658.36816	5.7
661.35864	89.6
662.36060	16.5
689.34851	1.8
701.35278	10.2
702.35895	3.3
717.34814	2.8
719.36432	44.1
720.36523	10.6
743.34106	1.2
749.37390	1.3
755.75739	1.3
761.34149	4.9
762.34192	3.5
777.36963	80.7
778.37140	20.1
821.35895	47.1
822.36511	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	819.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18843	0.4
59.01376	100.0
60.01715	1.2
61.98825	0.7
63.48999	0.4
71.01383	2.3
71.62168	0.6
81.90762	0.4
85.02876	0.4
89.02436	1.9
96.99318	0.4
101.02453	1.6
113.02459	1.3
119.03472	0.5
125.02447	1.0
141.01692	57.0
142.02028	1.2
153.01646	0.5
161.04604	0.5
205.91429	0.5
225.61627	0.5
235.08246	0.7
243.04875	0.7
279.23267	7.2
280.23718	0.5
339.62048	0.6
342.16656	0.4
361.23578	4.7
397.13474	10.7
415.14334	1.8
419.11633	2.2
425.66357	0.4
437.12665	4.1
677.37653	1.4
699.35504	2.9
700.35852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.5
65.00313	1.6
68.31053	0.8
68.56670	0.8
71.01357	1.3
71.07008	0.8
71.38641	1.1
74.88294	0.8
77.80168	0.7
83.01395	1.6
96.96002	7.8
107.01395	2.1
151.00360	9.2
152.01123	1.1
161.02437	1.1
178.99828	2.9
179.75822	0.8
193.05025	1.6
199.03957	6.6
215.03485	3.3
225.11319	5.8
227.03528	6.6
242.02197	3.8
243.02950	30.6
244.03499	2.4
255.02979	15.3
256.03296	1.0
257.04504	4.6
270.01584	5.6
271.02451	41.7
272.02921	4.8
285.04013	10.2
286.04752	3.2
289.01843	0.9
299.01935	75.9
300.02661	24.7
301.03293	1.2
313.03580	4.6
313.06882	1.1
314.04291	82.5
315.05020	43.9
316.05417	3.9
429.09781	3.0
785.21393	100.0
786.21741	21.5
847.41730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.1
59.01378	4.7
67.01901	2.2
68.99795	1.7
70.90618	3.7
71.01385	15.4
72.26397	1.4
72.99303	73.5
73.99634	1.3
74.19611	1.2
75.00867	100.0
77.72565	1.3
81.03481	1.5
83.01406	3.5
84.02156	2.1
85.02946	41.9
87.00874	3.5
89.02434	1.8
95.01389	5.8
96.95995	3.5
97.02975	3.3
99.00857	8.0
109.02906	1.8
111.00862	2.0
112.01657	2.9
113.02442	31.8
115.00365	15.1
116.01169	4.1
116.98299	32.6
117.01945	1.8
129.01924	1.7
130.99883	2.6
133.01445	12.5
157.01436	1.9
158.99373	2.9
174.98820	2.3
214.20084	1.5
233.02995	1.7
291.03528	3.8
441.33539	12.4
442.33902	2.1
453.25052	1.4
485.32632	6.8
555.36963	3.1
599.35852	11.8
600.36145	3.0
643.34479	9.6
657.36395	15.3
658.37207	2.9
661.35815	71.4
662.35870	15.9
701.35107	7.4
702.36194	2.4
717.34039	3.1
719.36414	35.5
720.36823	7.6
749.36194	1.9
761.34369	2.6
762.34625	6.6
777.36963	67.9
778.37256	15.6
821.35791	33.8
822.36444	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	817.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.4
59.01370	3.6
60.44601	1.0
63.96925	1.1
70.62926	3.0
71.01366	5.6
72.91308	1.2
79.95261	1.9
79.95732	33.7
80.96513	21.6
83.01369	5.2
85.02924	3.4
87.00869	7.5
94.98068	2.6
95.95200	3.7
96.96004	100.0
97.02959	1.1
99.00854	3.8
99.77659	1.0
101.02402	2.7
109.66673	0.9
110.97576	1.5
111.00155	1.3
111.00871	17.6
111.49038	1.1
113.02418	1.5
115.00347	1.6
120.95962	4.1
121.09282	1.0
127.00307	2.2
129.01970	10.3
132.02153	1.2
134.03734	11.7
136.95496	1.6
138.80290	0.9
138.97060	9.1
154.96512	0.9
159.02972	2.7
160.01649	7.5
175.03998	9.8
177.04004	1.3
181.17183	1.0
190.83446	1.0
192.98091	1.7
193.05051	9.5
210.99120	2.9
226.49342	1.1
238.98648	23.3
239.01041	1.6
241.00212	8.5
256.99704	60.9
257.99973	3.1
259.01352	1.4
374.72931	1.2
377.85495	1.1
499.72571	1.2
646.55627	1.3
684.62183	1.2
817.29431	83.2
818.14777	1.3
818.29865	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	817.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98829	1.8
62.46102	0.7
63.04544	0.6
65.31898	0.6
66.23675	0.7
70.89263	1.7
71.01382	1.9
72.99257	0.6
89.02465	1.7
96.96017	0.8
96.99323	2.5
97.02993	1.0
98.19931	0.7
101.02448	1.6
113.02502	0.7
125.02420	1.0
141.01694	54.8
142.02060	1.3
142.05099	1.6
155.93030	0.8
277.21686	4.6
278.22342	1.0
358.59442	0.7
359.21918	4.6
360.22513	1.0
397.13498	9.7
415.14520	3.1
419.11899	2.0
437.12674	4.6
563.48608	0.8
591.69794	0.8
675.36218	1.0
697.33899	3.0
831.79224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01710	1.1
60.61787	0.4
61.98801	0.7
67.80359	0.4
71.01387	3.0
71.16391	1.0
85.02923	0.4
87.00877	0.8
89.02455	2.0
96.72653	0.4
96.96023	0.6
101.02449	1.8
103.91974	0.4
113.02438	1.0
117.65791	0.4
119.03550	0.6
125.02441	1.1
141.01691	52.7
142.02036	1.3
143.03586	0.7
184.55342	0.4
190.60855	0.4
277.21725	4.9
298.57986	0.5
345.08521	0.5
359.22089	4.6
397.13480	11.4
397.18408	0.8
398.13730	1.0
415.14780	2.5
419.11844	2.1
437.12878	3.5
675.36169	0.9
697.33771	2.6
698.34418	0.5
735.43762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01377	3.3
70.17577	1.7
71.01382	7.0
72.99297	1.4
75.00865	1.5
76.97013	0.6
79.95733	31.1
80.96510	21.6
83.01382	4.6
85.02941	3.6
87.00870	7.0
89.02428	1.3
94.02501	0.6
94.98068	3.2
95.95216	3.4
96.96004	100.0
98.19887	0.6
99.00851	4.1
101.02436	2.6
104.52210	0.6
110.97595	1.6
111.00130	1.2
111.00874	19.2
112.01231	0.7
113.02429	2.0
115.00362	0.8
120.95986	2.6
127.00340	3.2
129.01936	9.9
132.02176	1.7
133.02942	1.5
134.03738	14.6
136.95490	1.0
138.97079	6.8
149.06061	1.6
150.96992	1.1
154.96573	1.7
159.02977	4.1
160.01646	10.8
166.96603	0.8
167.00226	1.0
175.03992	12.0
176.98625	0.7
177.04037	1.5
190.96596	0.9
192.98079	1.8
193.05037	14.0
210.99179	3.9
238.98637	21.1
241.00218	8.1
256.99701	52.2
257.99966	2.3
259.01367	0.8
268.40421	0.6
324.46558	0.6
463.19690	0.7
674.69397	0.7
817.29480	81.9
818.29816	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	817.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.3
70.17016	6.8
71.01372	2.9
72.99314	1.7
75.00851	2.5
79.95735	32.1
80.96518	18.1
83.01386	5.2
85.02940	5.4
86.09736	1.5
87.00868	5.1
94.98083	2.4
95.95213	4.2
96.96002	100.0
98.19802	1.5
99.00890	2.0
101.02437	1.9
111.00861	16.8
113.02448	1.9
115.00383	3.0
117.74142	1.6
120.01173	1.7
120.95961	3.7
127.00350	2.4
127.21016	1.5
129.01933	7.8
134.03772	8.5
138.97061	6.2
159.02960	3.5
160.01643	5.4
175.04027	4.7
193.04980	5.8
210.99220	3.3
238.98640	20.9
241.00275	7.7
256.96997	3.3
256.99707	61.2
257.99963	2.4
259.01352	1.7
734.90118	1.6
817.29456	76.7
818.29675	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	817.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.9
59.01382	5.3
62.20081	0.8
69.56411	5.4
69.93203	0.7
70.76839	0.8
71.01377	7.0
72.95702	0.8
72.99282	2.1
73.02944	1.5
75.00864	1.3
79.26904	0.8
79.95731	38.2
80.96061	1.2
80.96515	20.6
83.01367	3.9
85.02937	4.7
87.00864	7.3
89.02464	0.9
93.03437	1.4
94.98055	3.0
95.01404	1.3
95.95219	5.4
96.96005	100.0
98.95561	1.9
99.00852	3.6
101.02407	3.2
103.00362	1.4
111.00874	16.1
113.02397	3.0
115.00301	1.1
120.95992	3.4
127.00329	2.6
129.01927	9.9
134.03703	0.9
135.04517	1.3
137.02425	1.8
138.97064	8.0
147.02922	0.9
150.96994	1.2
154.96503	2.0
159.02982	5.1
166.96559	1.3
177.04120	1.1
192.98059	1.2
193.04988	1.8
195.06680	1.2
209.06674	1.2
210.99164	3.6
238.98634	25.1
239.98888	1.0
241.00240	10.5
256.99713	62.4
257.99921	2.5
259.01270	0.9
360.09915	19.9
360.60101	9.4
361.09811	6.1
361.59830	2.5
438.38370	0.9
463.19922	1.5
493.17163	2.5
641.25653	0.9
664.59772	0.9
773.33270	0.8
817.27917	67.0
818.28497	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	815.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01096	0.7
59.01377	10.2
62.01875	0.4
65.59052	0.4
67.01895	0.4
68.99820	0.9
69.03452	0.5
69.59591	2.8
71.01379	12.4
72.99307	3.0
73.02943	1.2
75.00864	8.7
80.79930	0.4
83.01379	0.9
84.02148	0.4
85.02947	13.4
87.00865	4.5
89.02444	3.8
89.03974	0.7
91.03999	0.5
91.71918	0.4
93.03466	0.6
95.01382	3.0
96.96032	0.8
99.00876	6.7
101.02366	0.5
103.00356	1.0
107.05101	0.4
109.02939	0.5
111.00890	0.9
113.02447	15.8
115.00351	1.3
117.01933	1.4
117.03465	2.3
121.02944	5.8
129.01938	1.5
133.02954	1.3
134.03731	29.7
135.04434	2.3
137.02429	0.8
149.02449	0.5
149.06091	3.1
150.03214	1.9
160.01663	2.8
161.02408	1.8
162.17168	0.4
165.05537	1.3
175.02440	1.3
175.03984	4.9
178.02766	0.5
179.03410	1.3
193.05045	20.0
194.05315	1.3
195.06612	3.1
196.23857	0.4
207.05092	0.9
207.07063	0.4
231.05046	1.0
249.06120	14.3
250.06567	0.6
252.06303	1.1
253.07060	0.6
267.07141	31.5
268.07617	1.4
315.05246	0.7
342.08047	0.5
357.13333	0.7
371.09814	7.3
372.10120	0.8
389.18073	1.3
416.95746	0.5
425.11075	1.3
443.11890	100.0
444.12228	10.8
567.20581	0.8
588.45856	0.5
590.58691	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.8
59.01386	4.5
61.02184	0.7
69.60110	3.3
69.60537	2.2
71.01379	5.7
72.99276	2.0
73.02941	1.0
75.00859	1.4
79.95730	37.7
80.96058	1.7
80.96510	20.2
80.96981	1.3
83.01382	3.9
84.95007	0.8
85.02926	3.9
87.00865	7.2
89.02445	2.0
94.98051	2.6
95.95213	4.5
96.96001	100.0
99.00856	3.8
101.02406	2.5
111.00873	18.0
113.02405	2.0
115.00366	1.2
120.95979	2.3
127.00340	2.6
129.01927	9.6
130.02225	1.1
134.03668	3.0
135.04477	0.9
136.95436	1.0
138.97058	8.1
145.02899	2.1
150.03130	1.0
150.96992	0.7
151.03973	1.7
153.01880	1.0
154.96573	2.0
159.02950	2.0
166.96492	1.3
177.04082	0.9
181.04991	1.6
192.98030	2.1
193.05086	1.3
195.06581	1.1
209.06862	0.8
210.99060	2.8
216.10097	0.8
227.84776	0.8
238.98656	26.1
241.00258	9.8
256.99701	65.9
258.00043	2.2
360.09821	12.4
360.59918	4.5
361.09885	2.6
365.42276	0.9
442.14059	0.8
817.27972	67.3
818.28253	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	813.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.4
59.01359	4.2
64.55443	1.4
64.98693	1.3
68.99812	2.0
69.07056	1.6
69.43745	11.6
71.01375	16.6
72.99303	66.0
75.00867	23.8
83.01391	2.1
84.02150	4.0
85.02934	14.5
86.00051	1.9
86.97005	2.9
87.00858	5.6
95.01376	4.4
96.95973	2.8
97.02913	4.4
99.00877	11.7
111.00791	5.2
112.01665	4.7
112.98560	7.6
113.02432	14.3
115.00125	18.8
116.98286	5.8
125.02361	2.2
135.00632	2.0
139.00200	2.3
151.00116	1.8
154.99622	5.9
155.08069	1.5
158.99078	2.0
168.97545	2.6
185.97789	2.6
188.69464	1.6
196.96996	1.8
197.00633	3.3
270.05927	1.5
319.20197	1.6
357.00815	2.2
417.16415	2.0
455.35223	7.2
456.35098	2.0
501.32004	4.2
653.36737	3.2
711.37244	3.0
741.38104	1.8
769.37787	21.6
770.37946	4.3
782.89111	2.7
813.36633	100.0
814.36920	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	21.1
69.47033	26.3
69.47443	100.0
80.94117	14.8
156.78770	14.3
225.71976	14.6
296.35007	16.9
610.46027	18.6
752.43188	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	809.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01385	0.4
61.47878	0.2
61.98813	0.3
70.51203	0.2
71.01385	0.4
71.62843	0.3
75.00884	0.2
78.95931	0.3
97.06600	0.6
97.53474	0.2
101.02441	0.3
114.98485	0.2
123.08174	0.4
125.09710	2.7
139.24280	0.2
141.12814	0.8
143.23483	0.2
148.02884	0.2
149.09688	1.0
185.11827	6.0
186.12137	0.4
197.11816	1.6
204.97432	0.2
249.22191	0.7
253.09390	0.6
275.20255	0.4
279.23276	5.2
280.23508	0.3
293.21198	100.0
294.21518	8.9
374.76645	0.2
630.29529	0.2
689.01312	0.3
789.17456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.7
59.01377	17.6
67.35320	0.8
68.99821	1.1
71.01378	25.3
71.39320	1.2
72.01688	0.9
72.99300	5.8
73.02939	4.2
75.00868	14.5
79.95259	1.9
79.95734	27.8
80.96507	18.4
83.01363	6.3
85.02949	24.0
85.84877	0.8
87.00876	10.4
87.04509	58.8
89.02448	4.3
94.98063	1.3
95.01397	6.0
95.95209	2.9
96.96002	100.0
99.00876	15.9
99.04504	0.9
101.02427	4.8
103.00341	2.0
111.00871	16.8
113.02437	20.3
115.00357	3.4
117.01911	2.7
120.96005	3.4
129.01933	8.1
136.95461	0.9
138.97066	9.6
154.96606	1.3
157.01384	1.0
159.02956	2.4
175.02422	2.8
175.37209	0.9
210.99208	1.6
235.16980	5.2
238.98645	11.3
241.00195	7.6
249.06261	1.4
251.16498	2.8
256.97003	1.6
256.99683	29.4
258.00064	1.0
259.01227	4.4
319.10590	1.2
335.10623	0.9
337.11249	2.2
404.83694	1.0
413.21884	3.4
555.28351	1.3
571.27423	3.0
615.25781	1.0
666.19739	1.1
733.22455	0.9
733.32764	49.1
734.33398	8.6
813.28516	92.2
814.28625	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	809.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.1
58.00584	5.7
59.01375	100.0
60.01727	1.5
60.56287	1.3
61.39572	1.4
61.98820	6.0
69.03456	3.9
71.01377	98.5
72.99303	8.5
73.02943	13.3
75.00876	10.3
81.03426	2.0
83.01376	13.0
84.02143	1.6
85.02944	52.4
87.00863	11.8
89.02435	57.8
93.03439	2.3
95.01380	12.9
96.96009	12.7
97.02934	7.7
98.19804	2.8
99.00863	9.0
101.02438	57.7
111.00867	5.0
112.01650	3.3
113.02443	51.4
115.03954	1.3
119.03498	16.8
121.02933	5.3
122.03744	7.4
124.01630	4.2
125.02413	4.3
125.18719	1.4
129.01923	2.8
131.03517	1.9
134.03729	3.7
135.04521	1.9
136.01646	4.0
137.02432	3.0
141.01930	1.3
143.03471	7.2
146.03735	1.5
149.02443	11.1
150.03212	39.6
151.03996	6.8
153.01917	3.0
154.60042	1.4
159.02991	2.3
161.04564	9.0
164.04861	1.6
165.01869	3.5
165.05542	43.7
166.02637	3.2
166.05911	1.8
175.03914	1.7
179.03354	2.1
179.05556	3.2
179.07053	1.5
180.04300	3.5
181.04979	4.5
193.05067	1.7
195.06598	30.6
248.90320	1.4
268.11609	1.2
276.22238	1.4
332.68759	1.3
357.13519	1.4
376.28760	1.2
387.14487	3.1
392.14294	1.6
397.03714	1.4
399.23779	3.2
417.15546	1.8
494.49054	1.5
535.20581	1.7
543.28046	13.5
544.27838	2.0
561.29041	19.3
562.29297	2.6
565.20386	3.6
566.20685	1.9
603.29993	3.3
611.20911	3.5
705.20978	3.6
705.33301	83.1
706.33807	15.1
723.34406	90.4
724.34601	18.5
765.35303	55.4
766.35846	13.8
766.58582	1.4
809.44781	13.0
810.42853	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	809.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.9
58.00586	3.5
58.16972	1.4
59.01376	97.8
61.02420	1.4
61.98816	4.3
65.96333	1.4
68.99812	1.5
69.03454	5.1
71.01379	90.5
71.21166	1.3
72.99303	6.9
73.02945	16.2
75.00861	11.7
77.98746	1.5
79.95745	2.5
80.96499	1.7
83.01388	13.0
84.25318	1.3
84.51937	1.3
85.02947	44.2
85.70188	1.7
86.00101	1.8
87.00875	11.0
89.02441	55.1
89.02988	3.1
93.03510	1.4
95.01387	11.0
96.96007	12.0
97.02929	6.4
98.19859	3.9
99.00870	6.9
101.02439	55.3
109.02952	2.0
111.00865	4.9
112.01675	1.8
113.02449	58.0
119.03491	17.5
121.02922	3.8
122.03716	6.1
124.01608	1.9
125.02472	6.9
129.01939	3.9
131.03506	2.0
134.03738	4.1
135.04460	1.8
136.01617	2.1
138.03223	1.5
143.03465	6.3
149.02444	7.3
150.03212	36.6
151.03932	5.3
159.03009	1.9
161.02545	1.6
161.04510	8.1
164.04680	1.8
165.01874	2.3
165.04141	2.1
165.05540	31.7
166.02707	2.8
179.05486	4.3
179.07014	2.1
180.04266	4.7
181.05055	3.6
193.04997	3.3
195.06627	27.9
195.08330	3.0
223.06003	1.8
256.99768	1.5
292.97452	1.8
357.05157	1.5
387.14380	2.1
399.23685	4.1
417.15622	2.5
441.25015	1.4
448.99277	1.7
507.86646	1.6
540.72241	1.5
543.27936	12.7
561.29327	20.6
562.29626	2.0
565.20819	5.5
601.90070	1.8
603.29999	4.3
611.21075	3.5
705.20819	3.1
705.33331	89.0
706.33881	16.7
723.34357	100.0
724.34930	17.0
765.35425	64.4
766.35516	14.9
809.29553	1.8
809.43799	10.9
810.42944	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	807.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
58.00588	1.2
59.01376	20.0
60.99300	0.2
67.01881	2.0
68.99819	1.5
69.03453	0.4
71.01380	18.4
71.09031	0.3
71.09374	0.2
72.99303	7.3
73.02934	1.2
73.99622	0.2
75.00867	9.0
78.26509	0.1
81.03445	0.2
83.01385	4.7
84.01698	0.2
84.02172	0.5
85.02946	16.6
86.03269	0.3
87.00887	1.1
89.02437	9.7
90.02723	0.2
95.01382	7.6
96.95953	0.1
96.99306	0.2
97.02962	1.5
99.00874	6.8
101.02430	1.4
103.00368	0.4
109.02955	0.2
111.00871	6.5
112.01616	0.6
113.02442	10.5
114.02786	0.3
115.00358	0.7
116.98284	0.8
123.12613	0.2
129.01923	1.3
130.99814	0.6
131.03456	0.9
133.01375	0.3
139.00357	3.7
149.04526	0.3
157.01436	1.1
175.02457	0.2
183.00105	0.2
296.42624	0.2
307.06519	0.3
329.01657	0.2
391.25916	0.2
395.29605	0.2
421.31134	0.3
471.34576	0.4
481.33224	0.6
497.32660	1.8
498.32672	0.3
499.34244	5.3
500.34610	0.9
527.33734	2.6
528.34125	0.4
541.35309	0.4
547.09961	0.2
555.33466	0.8
567.36627	0.6
581.34467	1.0
582.35217	0.3
593.35492	0.3
595.36389	3.4
596.36652	0.6
613.37396	2.3
614.37738	0.3
615.35266	0.3
639.35919	0.2
643.38501	0.6
647.38190	2.1
648.37897	0.4
675.36938	0.7
705.38342	1.3
706.38171	0.2
763.38489	2.2
764.39948	0.4
807.41626	100.0
808.41998	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	809.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96853	0.4
59.01369	0.5
61.98843	0.6
67.01892	0.3
68.08274	0.4
69.80121	1.7
71.01369	0.7
72.99296	2.5
75.00871	3.4
85.02961	1.4
93.03452	4.7
96.95988	1.8
98.19866	0.7
99.00901	0.4
105.03453	0.5
108.02199	0.6
109.02953	1.2
111.00848	0.5
113.02424	0.9
121.02953	7.1
122.03735	15.8
123.00935	0.6
123.04497	1.0
124.01665	0.6
126.26714	0.3
130.99867	1.0
132.02187	0.4
133.01440	0.5
133.02962	1.8
134.03709	1.7
135.04498	1.3
136.01648	3.3
137.02441	3.2
138.03210	0.5
145.02948	0.4
146.03731	0.9
149.02434	21.3
149.06081	1.2
150.03214	100.0
151.00356	1.5
151.03990	7.6
152.04660	0.5
152.60666	0.3
161.02370	0.7
162.03256	0.5
163.03993	0.4
163.32442	0.4
164.04770	4.0
165.05553	97.4
166.02702	4.8
166.05894	5.4
167.03429	0.5
167.43353	0.4
175.04028	0.8
177.05579	0.7
178.02673	0.4
179.07129	5.1
180.04250	6.7
181.05019	6.0
193.05016	0.6
195.06606	65.8
196.06955	3.4
205.05054	0.8
219.06633	1.1
220.07297	0.9
247.12791	0.3
329.10297	0.5
369.35104	0.4
387.14383	2.3
400.38745	0.3
402.13153	0.5
403.13571	0.7
416.14688	0.5
417.15497	7.9
418.15753	1.1
443.49890	0.4
469.56592	0.4
535.19238	0.6
564.19604	0.5
565.20679	12.9
566.20966	2.7
595.22119	2.1
613.22864	4.3
614.22650	0.8
619.21802	0.6
667.23450	0.8
683.58197	0.4
713.25867	1.2
743.26459	0.7
761.28076	1.4
765.38965	0.7
791.28351	0.5
809.37634	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
59.48949	0.4
70.52634	1.2
71.01385	1.3
72.99303	5.3
75.00873	6.0
85.02939	2.4
86.37317	0.5
93.03436	4.5
95.01381	1.3
95.05025	0.5
96.96019	1.9
99.00853	0.8
103.00358	1.2
105.03454	0.6
107.05024	0.5
108.02178	0.9
109.02928	2.0
113.02454	1.7
115.00349	0.6
116.98315	0.6
121.02944	6.9
122.03738	15.4
123.00832	0.4
123.04586	1.1
124.01661	0.7
130.99832	1.4
132.02150	0.8
133.02942	2.1
134.03732	2.7
135.04503	0.9
136.01653	5.5
137.02437	5.1
137.06088	0.4
138.03285	0.5
139.04065	0.6
145.02940	1.0
145.92184	0.4
146.03723	2.2
147.04602	0.5
148.01601	0.4
149.02429	30.5
149.06049	2.6
149.47139	0.4
150.03212	100.0
151.00354	1.8
151.04008	16.8
152.01117	0.4
152.04744	0.9
153.05592	0.5
161.02396	0.5
161.06104	1.0
162.03214	1.2
163.03993	0.6
164.04788	6.2
165.05553	86.8
166.02693	5.3
166.05885	4.3
167.03369	0.8
175.03954	1.1
177.01854	0.6
177.05533	2.3
178.02724	0.6
179.03514	0.5
179.07121	7.6
180.04259	5.3
181.05049	7.3
182.05342	0.4
184.03735	0.9
185.41916	0.4
187.04077	1.2
193.05066	1.1
195.06610	45.4
196.07013	2.1
205.04924	2.0
207.06641	0.6
219.06587	1.7
220.07329	1.2
315.08539	0.6
329.10181	0.9
371.11209	0.8
373.12820	0.5
387.14655	2.2
402.13260	0.5
403.14273	0.9
416.14346	0.6
417.10025	0.8
417.15506	9.6
418.15631	1.0
535.16449	1.0
550.18457	0.4
553.42731	0.4
561.58972	0.4
564.19598	1.8
565.20703	17.5
566.20905	2.7
595.21698	2.3
613.22858	5.6
614.22815	0.5
619.21594	1.3
649.39050	1.4
667.23578	0.9
677.38519	0.7
707.39429	0.8
713.25934	8.1
714.26093	1.8
725.26532	0.5
729.29303	1.0
743.26617	3.4
744.26764	1.1
761.27661	1.8
762.28162	0.8
765.40320	1.8
791.28851	1.1
809.26154	1.8
809.42499	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	807.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.9
59.01375	1.6
70.02876	0.4
70.03167	2.3
71.01379	3.0
72.99305	100.0
73.99615	0.6
75.00869	75.8
83.01369	1.1
85.02951	15.4
87.00897	1.1
95.01388	1.9
97.02959	0.5
99.00893	3.0
103.00368	27.1
111.80125	0.4
112.01656	1.1
113.02451	7.8
115.00372	1.0
116.01158	0.5
116.98286	0.7
117.01948	0.7
118.95946	0.4
129.01962	0.8
130.99857	64.9
132.00191	1.3
138.67386	0.5
141.01775	0.4
152.93271	0.4
157.01421	1.2
175.02449	0.6
279.27255	0.5
307.02972	0.9
471.87253	0.5
472.94110	0.5
499.34424	3.1
500.34576	0.7
553.35699	0.5
599.35895	1.1
647.38196	0.8
675.37390	29.8
676.37799	6.0
731.36676	1.3
763.38849	1.3
807.38013	66.2
808.38300	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	807.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
58.89521	0.4
59.01371	1.2
67.01894	0.6
68.99833	0.5
70.51579	0.8
70.51940	0.8
71.01384	3.0
72.99304	100.0
73.02950	0.4
73.99628	0.8
75.00869	77.0
76.01204	0.7
83.01393	1.1
85.02949	15.9
87.00860	1.3
95.01377	3.0
97.02953	0.6
99.00866	3.0
103.00368	27.8
104.00708	0.5
112.01655	0.6
113.02434	8.0
115.00359	0.5
117.01950	0.6
117.08405	0.4
129.01997	0.4
130.99857	65.1
132.00177	1.1
156.00002	0.4
157.01396	0.9
497.32623	0.9
499.34348	3.3
599.35553	0.9
647.37866	1.4
675.37463	30.9
676.37689	5.4
731.35883	0.9
763.39001	1.4
807.37994	63.6
808.38306	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	807.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52735	2.2
57.03435	6.0
59.01360	8.1
60.99309	2.3
61.98787	2.5
64.50331	2.6
69.03455	2.9
70.80555	6.1
71.01377	16.0
72.99300	73.1
75.00864	100.0
83.01369	5.1
85.02938	46.7
89.02422	3.8
92.68097	2.3
95.01376	8.5
96.95990	10.6
97.02949	4.2
99.00855	7.4
101.76807	2.3
103.00365	5.8
105.56150	2.1
109.02925	3.6
111.00834	5.2
112.01602	3.4
113.02437	30.2
115.00350	11.4
116.98295	25.9
117.01888	3.5
126.82224	2.3
130.99825	6.7
133.01421	5.8
135.60001	2.3
140.01277	2.9
222.67992	2.4
226.74318	2.1
259.34161	2.7
277.87048	2.8
317.67065	2.7
422.97546	2.8
469.33005	2.8
471.34439	3.9
585.37524	4.8
629.36560	7.6
643.38116	10.5
644.38708	3.6
645.36945	3.6
647.37793	53.6
648.38086	9.4
675.35083	3.5
684.14655	2.9
687.37585	12.4
705.38336	32.2
706.38812	6.6
747.35809	4.2
763.39014	51.4
764.39490	12.3
793.43896	6.2
807.37787	46.4
808.38324	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	807.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	9.4
59.01370	6.5
60.99292	4.2
64.53657	0.9
67.01871	3.8
68.99811	2.3
69.03443	1.7
70.76134	2.7
71.01372	15.6
72.99303	82.4
73.99636	1.3
75.00867	100.0
81.03440	1.5
83.01370	3.4
84.02120	2.3
85.02944	47.1
86.03227	1.5
87.00851	3.9
89.02428	2.4
95.01381	7.9
97.02934	2.9
99.00884	7.1
100.98756	1.2
103.00350	1.7
109.02930	2.7
111.00851	2.3
112.01639	2.9
113.02446	33.8
115.00371	12.1
116.01186	2.1
116.98296	34.8
117.01926	2.0
129.01903	2.4
130.99828	2.6
131.22038	1.0
133.01413	10.0
157.01350	1.6
158.99323	1.4
174.98795	1.1
175.02515	1.8
188.97946	0.9
233.02760	1.7
263.16452	2.2
291.03635	4.9
292.03964	1.0
375.51349	1.2
407.33072	2.3
469.33105	3.9
471.34750	21.4
472.35004	2.7
499.34354	2.1
513.35834	2.5
567.36548	1.1
571.36523	4.6
572.36224	1.5
585.37885	15.0
586.38116	2.7
629.37085	11.4
630.37085	1.7
643.38501	16.8
644.38892	3.6
647.37958	73.4
648.38129	17.0
687.37183	8.8
688.38409	2.9
703.36688	2.4
705.38483	37.2
706.39368	8.7
735.39606	1.6
747.35651	2.4
748.36426	4.5
749.37671	1.8
763.39008	65.0
764.39453	18.4
807.38025	45.5
808.38354	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	807.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	7.1
59.01382	5.4
67.01886	2.5
68.99804	2.4
69.03453	1.8
71.01379	12.8
72.99302	62.6
73.02927	1.1
75.00868	100.0
76.37799	1.1
81.03455	1.3
83.01356	1.6
85.02428	2.3
85.02946	38.6
86.03307	1.3
87.00895	3.5
89.02456	2.5
93.97045	0.9
95.01370	5.4
96.02395	0.9
96.96017	2.8
97.02925	4.2
98.19794	2.6
99.00878	4.6
99.04552	1.3
100.98759	1.0
105.76646	1.0
109.02962	2.1
111.00864	1.5
112.01661	2.9
113.01676	2.3
113.02440	29.2
115.00360	9.4
116.98299	22.9
117.01923	1.3
129.01895	1.4
130.99837	1.7
133.01404	7.2
157.01456	2.1
158.99335	1.7
165.05492	1.2
217.63937	1.2
233.03107	1.3
243.48222	1.2
291.03558	3.3
310.95013	1.2
426.93741	1.3
453.34509	1.5
469.33322	2.6
471.34698	12.7
472.35236	2.2
499.34174	2.5
571.36548	2.3
585.37634	2.9
629.36816	4.7
643.38342	12.5
644.38593	2.2
647.37939	53.1
648.37952	9.4
687.37146	5.4
703.37122	2.2
705.38495	27.3
706.38678	6.7
747.35486	3.1
748.36407	2.5
763.38983	46.2
764.39185	12.7
807.38300	34.7
808.38898	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	807.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
63.02379	1.0
65.00326	1.3
69.61943	4.0
71.01369	1.7
83.01389	1.8
89.02450	1.1
96.96018	4.0
98.19775	1.2
107.01383	1.8
108.02168	1.3
109.02934	1.7
117.57448	0.6
121.02970	1.7
135.04526	1.4
139.33829	0.6
145.94295	0.7
148.01697	1.4
151.00357	8.9
151.05077	0.6
153.05579	1.5
161.02370	1.5
163.00375	1.6
164.01163	0.8
175.04022	0.8
178.99832	6.0
193.05048	0.9
207.02994	0.7
213.76837	0.6
216.04179	0.7
226.02820	1.0
227.03506	2.5
243.02969	9.4
244.03537	1.0
254.02187	3.0
255.02969	21.6
256.03320	1.7
271.02460	51.3
272.02911	5.3
273.03848	0.7
299.01971	3.5
300.02725	100.0
301.03326	19.2
302.03763	0.8
387.16608	5.5
388.16846	0.9
407.43109	0.6
419.10309	0.8
469.17102	1.6
662.12341	0.7
750.77496	0.6
771.19855	54.5
772.20044	13.1
838.69623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	11.0
58.01431	1.6
59.01377	12.1
60.99317	2.1
61.98824	2.4
67.01875	4.1
69.87356	8.5
71.01372	17.4
72.98682	1.8
72.99302	75.4
75.00869	100.0
75.46973	1.7
76.01218	2.2
83.01363	1.9
83.66154	1.5
85.02947	44.9
87.00864	4.0
89.02445	4.6
95.01371	6.3
96.95976	2.6
97.02929	4.6
99.00864	10.7
103.00351	6.5
109.02964	1.7
111.00878	5.4
112.01630	3.7
113.02444	27.5
115.00384	9.2
116.98295	28.2
129.01944	3.6
129.03056	1.6
130.99808	6.0
132.33127	1.6
133.01393	7.4
139.00365	2.3
157.01343	1.8
158.99347	1.5
189.67624	1.6
215.53337	1.4
233.59258	1.8
291.03479	3.1
392.30640	1.6
407.33188	1.7
453.33221	2.2
469.33112	2.4
471.34708	12.8
499.34198	2.8
585.37659	5.6
629.36505	6.6
643.38538	12.4
644.38690	1.8
645.36719	1.9
647.37909	55.3
648.38257	9.7
675.36572	3.3
677.37970	4.2
687.37469	8.0
705.38397	29.5
706.38483	6.7
747.35437	4.1
748.36438	3.7
763.38867	51.1
764.39423	13.0
807.38776	63.6
808.38776	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	805.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.7
58.00606	1.0
59.01372	4.9
63.12876	0.8
63.34490	0.8
67.01871	2.4
68.99811	2.1
69.03432	1.0
70.89807	2.0
71.01377	13.6
72.99301	70.9
73.02943	1.5
73.42168	0.8
75.00866	100.0
81.03457	1.9
83.01376	2.9
84.02180	1.3
85.02948	43.6
87.00868	4.3
89.02432	2.2
95.01383	5.6
97.02930	2.8
98.61584	0.8
99.00870	6.0
99.04497	1.1
103.00378	1.7
109.02958	2.4
111.00893	1.6
112.01680	1.6
113.02438	28.5
115.00378	13.2
116.98293	27.0
117.01959	1.7
124.25194	0.7
125.02381	1.6
126.03203	0.9
129.01939	2.0
130.99901	0.8
133.01419	8.3
138.00026	0.6
144.73917	0.8
157.01453	1.7
158.99327	1.8
164.09392	0.7
174.98798	2.0
175.02448	1.1
233.03180	1.7
291.03540	2.9
467.31491	2.8
469.33157	19.6
470.33667	3.9
475.41702	0.7
497.32574	3.1
511.33887	1.0
523.34344	1.5
525.32001	1.4
565.35083	1.2
569.34650	3.6
583.36200	8.0
584.36774	1.4
627.35443	7.1
628.35291	1.2
641.36969	14.1
642.37134	2.8
645.36371	65.0
646.36810	12.7
675.36896	1.0
685.35992	6.0
686.35919	1.4
701.35059	2.7
703.36871	35.6
704.36963	7.8
733.37231	1.5
745.34631	2.8
746.34772	4.2
761.37445	55.7
762.37659	13.7
805.36377	34.1
806.36829	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	805.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.7
59.01383	5.5
67.01891	2.0
68.99786	2.5
69.03431	1.5
70.36169	2.1
70.36555	2.0
71.01042	1.0
71.01379	14.3
72.99302	77.9
73.02927	1.0
73.05361	0.8
75.00866	100.0
81.03458	2.0
83.01362	3.7
84.02139	1.3
85.02945	42.2
87.00853	3.5
89.02442	2.2
90.40132	0.9
91.96935	0.9
95.01393	6.3
97.02918	2.3
99.00879	6.9
101.02448	0.9
103.00359	0.9
109.02886	2.9
111.00877	2.0
112.01641	2.7
113.02438	33.0
115.00372	11.7
116.98293	31.9
117.01898	1.5
119.23150	0.8
125.02407	1.8
129.01903	2.8
130.99850	2.2
133.01439	9.8
153.01837	1.2
157.01321	2.4
158.99339	1.2
171.79343	0.9
174.98819	1.4
186.56184	0.8
238.78122	0.9
291.03531	4.2
343.77457	0.9
467.31433	3.3
469.33133	20.0
470.33408	2.4
497.32315	1.7
565.34705	1.2
569.34961	5.2
583.36218	8.6
584.37128	1.9
602.03583	1.1
627.35382	6.7
628.35199	1.7
641.36920	17.3
642.37024	2.9
645.36377	69.9
646.36511	16.7
685.35626	8.4
686.35980	2.0
701.35254	2.9
703.36902	35.8
704.37042	9.5
733.38251	2.0
745.34424	2.9
746.35046	4.9
747.36505	1.3
761.37402	62.1
762.37854	15.9
805.36334	38.1
806.36694	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	805.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.6
61.98823	2.1
67.44240	0.4
69.03471	0.5
71.01378	2.1
71.63367	0.6
72.99336	0.6
73.02953	0.5
79.95730	6.3
79.96183	0.6
80.96521	1.6
81.95314	1.4
85.02962	1.3
87.00859	1.3
89.02456	0.9
93.03459	2.4
95.95242	1.0
96.96003	12.3
97.02940	0.9
98.95594	1.9
101.02471	0.9
108.02214	0.6
109.02958	0.6
111.00853	1.0
121.02940	2.6
122.03732	12.2
129.01933	0.8
133.02939	1.1
134.03728	3.9
135.04434	0.8
136.01694	3.2
137.02440	1.5
141.01962	0.8
149.02437	17.1
149.05988	0.5
150.03215	88.2
151.03629	4.1
153.01898	1.3
160.01662	2.0
164.04784	4.3
165.05554	100.0
166.02469	0.5
166.05917	4.3
175.04005	2.0
177.05586	1.1
179.07082	0.6
180.02802	0.9
180.04253	6.9
181.05026	1.1
191.05565	0.7
193.05074	2.6
195.06612	67.9
196.06924	3.1
209.06618	1.1
210.99158	0.4
211.05968	0.6
225.07634	0.6
238.98541	0.8
241.00201	0.9
256.99661	1.9
258.00061	0.5
267.06506	0.9
268.07330	2.1
269.07706	0.5
283.09686	2.3
284.06937	0.7
296.06784	1.2
297.07770	0.5
299.09003	0.9
307.05734	0.6
308.06754	1.0
309.07477	2.2
311.09299	1.3
312.06320	1.9
312.09656	0.6
322.08240	1.3
323.09241	3.1
324.06470	0.9
324.09979	2.6
325.10483	0.6
327.08701	6.0
327.12210	0.9
337.10941	0.8
338.11591	1.6
339.08673	11.1
339.12250	2.2
340.08960	1.1
342.11011	7.8
343.11548	1.4
353.10101	0.6
354.11102	5.9
355.11395	0.7
357.13379	27.4
358.13596	3.0
360.09869	8.7
360.60049	2.8
361.09998	1.4
367.10446	2.5
369.13376	30.7
370.13708	3.5
385.11334	2.0
437.14645	2.2
438.14783	0.6
463.20087	0.7
475.17883	0.6
505.18381	1.0
535.19818	4.4
536.20264	0.7
553.20758	0.9
583.21753	56.7
584.22040	10.8
584.30560	0.9
641.24854	0.6
805.30859	4.3
806.29230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58139	0.5
59.01374	21.4
59.29461	0.5
61.68948	0.4
71.31734	0.5
79.95774	0.8
81.35513	0.5
85.02930	0.6
89.56055	0.5
93.03455	2.1
96.19896	0.5
96.96021	3.2
108.02155	0.5
121.02947	4.7
122.03735	11.6
123.04588	0.9
133.02963	1.8
134.03731	0.9
136.01642	1.2
137.02463	0.7
138.90891	0.5
147.04504	0.6
149.02428	27.1
150.03215	92.0
151.03488	3.4
153.05588	0.8
164.04764	8.0
165.05559	93.2
166.05869	4.0
175.04071	0.7
177.05518	2.0
180.04266	6.4
181.04848	0.8
190.06416	0.8
193.05002	0.9
195.06616	43.4
196.06935	2.4
214.15096	0.5
222.05276	0.7
223.21999	0.5
224.06830	0.7
231.62195	0.5
255.10127	0.6
261.01651	0.5
267.06668	0.6
268.07401	1.9
279.06586	0.9
280.07404	0.9
283.09769	2.2
293.08041	0.9
294.99451	0.6
295.06143	0.8
296.06821	1.2
297.08020	0.7
297.11346	1.6
307.09863	1.0
308.06799	1.4
308.10501	1.7
309.07617	2.1
309.10782	0.6
311.09152	1.5
312.06290	2.3
321.07693	0.9
322.08282	0.7
323.09241	3.7
324.06284	1.3
324.09979	2.3
325.10785	2.2
326.11337	3.9
327.08682	7.7
328.09137	0.8
337.10812	0.7
338.11551	1.8
339.08658	10.6
339.12381	3.2
340.09048	1.6
341.10321	0.9
341.13913	3.4
342.10983	7.9
343.11636	1.9
354.11050	5.2
355.11713	1.4
357.13391	22.5
358.13733	2.1
369.13373	26.2
370.13828	3.0
387.14334	1.4
457.13193	0.8
461.15762	1.0
472.15222	1.1
474.80692	0.6
475.17346	1.2
487.17349	1.9
490.16159	1.0
505.18768	4.6
506.18719	0.7
517.18805	1.2
520.17273	0.7
535.19647	39.8
536.20007	7.3
536.32880	0.7
553.20721	1.2
565.20581	2.4
583.21759	100.0
584.22125	19.3
633.34955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.01373	3.2
71.01369	5.3
71.62476	1.1
72.99300	1.2
76.97022	0.9
79.95731	44.0
80.96510	22.0
83.01387	3.2
85.02956	3.3
87.00863	6.2
88.36185	1.1
94.98077	1.9
95.95224	2.9
96.96004	100.0
99.00864	3.6
101.02438	2.2
102.54004	0.8
103.00344	1.3
111.00876	20.2
113.02435	1.1
115.00356	1.7
120.95998	4.3
127.00335	4.0
129.01199	0.9
129.01955	10.6
136.95514	1.0
138.97083	6.2
149.69249	0.7
154.96545	2.3
159.02968	4.3
164.98618	0.8
166.96568	1.4
167.00145	0.9
172.45767	0.7
177.04016	1.5
182.95952	0.8
190.96504	1.2
192.98056	1.7
210.99109	3.7
238.98634	30.7
241.00229	10.7
256.99710	73.0
258.00079	3.1
259.01178	0.9
322.99588	0.8
463.19958	3.3
541.67932	0.8
630.58032	0.8
803.30066	86.1
804.30530	18.4
804.45050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.7
59.01374	11.3
61.98529	1.9
61.98826	23.3
69.03453	1.3
69.25502	1.9
69.25842	11.6
69.36156	1.1
71.01379	7.7
72.99303	2.5
73.02935	2.2
79.95740	16.5
80.96510	6.9
81.95305	2.9
82.96099	1.2
83.01383	3.8
85.02938	6.6
87.00893	6.5
88.98816	1.2
89.02428	6.9
95.95242	1.4
96.96003	100.0
97.02932	1.2
97.95978	1.3
98.19889	2.3
98.95596	8.7
99.00854	2.2
101.02425	5.1
109.02940	3.1
111.00858	7.9
113.02403	2.7
119.03465	3.1
120.62707	1.1
120.95949	2.5
122.03730	1.5
123.00868	1.8
123.04549	1.5
125.02397	1.7
127.00371	1.2
129.01886	4.4
134.03773	9.9
135.04500	1.9
136.01630	2.1
137.02440	17.3
138.97044	1.5
149.02426	3.6
150.03186	7.2
150.06818	1.3
151.00395	14.9
151.04070	5.4
152.01147	2.2
152.04787	1.6
153.01895	3.0
159.02910	2.2
160.01578	2.2
161.02370	1.8
162.03220	1.4
164.01056	1.7
164.04774	2.0
165.01913	74.7
165.05559	9.9
166.02707	36.6
167.03355	2.7
175.03943	5.4
177.01859	4.8
179.03458	15.8
179.07079	1.8
180.04259	46.5
181.05042	40.8
182.05299	1.6
187.04016	1.8
190.06303	1.6
191.05553	1.4
192.04276	3.2
193.05025	9.7
194.05746	4.6
195.02908	2.2
195.06595	61.2
196.06923	2.3
197.11845	1.7
205.04968	4.6
207.06549	3.6
209.06580	2.1
210.05307	7.8
210.99141	1.9
220.07362	3.3
223.05916	1.5
225.07651	48.3
226.07974	2.8
232.13924	1.5
237.30026	1.1
238.98688	7.0
239.09245	1.3
239.99098	1.4
241.00349	2.8
253.60468	1.3
256.99704	23.2
257.99887	2.5
258.99591	4.0
360.10007	1.4
367.10394	5.0
372.11600	1.6
381.10403	1.3
385.11151	5.7
386.13193	1.4
387.10141	2.0
387.15002	5.4
388.11191	1.6
402.13486	2.5
403.14157	1.6
410.99542	1.2
416.14740	2.0
417.15448	46.5
418.15781	4.4
437.14499	6.5
440.31949	1.4
516.35638	1.4
565.17548	1.6
581.19916	1.7
583.20563	5.1
595.21790	40.0
596.22223	8.9
632.33392	1.4
643.23871	32.1
644.24554	6.9
787.34467	1.3
805.30798	43.0
806.31366	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.3
70.11641	0.8
70.12051	0.4
70.78158	0.2
75.29105	0.2
85.94009	0.2
91.56450	0.2
93.03431	0.2
95.05022	0.8
95.28661	0.2
99.60685	0.3
105.74136	0.3
121.02956	0.2
122.03710	0.4
123.04518	66.2
124.04846	2.3
141.02222	0.2
153.05565	100.0
154.05905	4.2
164.65733	0.2
190.28978	0.2
210.05630	0.2
273.93097	0.3
357.11877	25.7
358.12262	2.2
443.69794	0.3
622.96820	0.3
770.46674	0.4
802.45538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01376	4.2
67.87703	0.3
68.99818	0.3
71.01375	5.5
72.99313	1.3
73.02949	1.3
75.00874	1.3
75.37483	0.4
76.89666	0.3
76.97036	0.4
79.95732	17.9
80.96509	11.6
83.01370	2.5
85.02937	3.7
87.00872	4.5
89.02457	1.8
89.03944	0.4
94.98074	1.4
95.01379	0.4
95.95222	1.6
96.96003	58.6
97.02908	0.6
97.07034	0.3
99.00884	2.3
99.36878	0.3
101.02444	3.5
103.00366	0.7
105.03499	0.5
109.02955	0.4
111.00127	0.7
111.00876	10.4
113.02450	2.7
115.00355	1.0
117.03446	1.0
119.03506	0.4
120.96005	1.7
127.00381	1.6
129.01929	4.9
132.02173	1.1
132.81972	0.4
133.02950	27.4
134.03647	2.1
135.04517	19.5
135.05298	0.4
136.04825	1.1
136.95554	0.5
137.02417	0.8
138.97058	5.4
150.97052	0.4
153.01923	0.6
154.96512	1.0
159.02968	1.7
161.02429	100.0
162.02751	4.7
166.96497	0.6
176.04826	0.3
176.98621	0.3
177.04065	0.9
178.02675	0.5
179.03468	14.6
180.03821	0.5
190.96539	0.4
192.98105	0.7
210.99168	2.1
238.98648	10.9
239.05736	0.3
239.98917	0.5
241.00157	4.5
244.02982	0.4
249.05981	0.5
256.99701	34.1
258.00034	1.1
259.01270	2.1
311.66711	0.4
397.10913	0.4
463.19965	1.2
545.27551	2.1
546.27997	0.6
561.27142	0.6
566.26300	0.3
641.24927	1.9
723.32355	6.6
724.33026	1.9
725.58313	0.5
803.27985	78.3
804.28217	20.6
824.59180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01374	9.9
67.01873	0.7
67.14400	0.6
69.47472	4.9
71.01374	10.2
72.99292	1.9
73.02943	0.5
75.00872	3.3
83.01378	3.7
84.28486	0.6
85.02949	8.5
89.02436	7.9
95.01392	4.3
97.02903	1.2
98.20601	1.2
99.00880	4.6
111.00876	4.0
113.02450	6.3
122.41838	0.6
127.57973	0.5
128.30161	0.6
129.01938	1.0
129.16733	0.6
139.00372	2.8
157.01361	0.9
161.61888	0.6
261.32068	0.6
357.18817	0.6
453.33795	2.2
455.35352	3.9
456.35977	0.7
483.34744	1.9
537.34479	0.7
551.37396	2.8
569.38568	1.8
763.42657	100.0
764.42944	23.7
764.56885	1.0
788.89709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.4
59.01375	14.5
63.66893	1.1
69.73672	2.6
69.74078	3.8
71.01382	21.9
72.99297	7.5
73.02940	30.6
75.00874	13.3
79.95725	30.9
80.96507	17.2
83.01381	6.5
85.02950	19.8
87.00871	10.9
89.02431	4.3
93.03461	1.8
94.98045	2.3
95.01369	4.4
95.95211	4.1
96.96001	100.0
99.00871	13.2
101.02409	5.7
103.00335	3.7
111.00878	15.3
113.02433	18.8
115.00310	2.1
120.96017	3.0
127.00373	2.2
129.01936	10.7
134.03702	1.3
137.02411	2.7
138.97073	7.1
159.02982	2.8
161.04494	1.2
210.99094	2.2
235.16948	5.2
238.98669	15.2
241.00243	6.0
249.06097	2.1
251.16537	2.3
256.99689	43.9
257.99957	1.3
259.01294	5.8
413.21609	5.0
514.97198	1.2
557.25739	1.7
569.95764	1.6
605.28656	1.8
606.06891	1.4
719.31207	41.1
720.31445	8.0
799.26843	96.6
800.27252	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	797.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	13.1
58.00579	3.6
59.01373	61.7
61.98796	2.9
67.01891	2.8
68.99812	3.4
69.02953	4.2
69.03444	14.9
71.00991	3.2
71.01376	54.6
72.98985	1.7
72.99310	19.9
73.02919	2.0
74.23737	1.8
75.00851	3.8
79.01897	4.5
79.95731	3.1
83.01372	6.7
85.02949	51.5
87.00871	16.4
87.04543	2.1
89.01920	2.3
89.02442	32.8
89.03931	2.2
93.03441	2.9
95.01350	4.0
96.96015	18.1
97.02948	22.0
99.00857	7.9
99.04494	6.0
101.02444	16.5
111.00855	9.3
111.04527	2.6
113.02451	18.4
115.04000	3.8
117.03429	7.6
119.03499	9.6
121.02844	1.9
129.01935	36.0
132.02193	2.6
134.03738	97.7
135.04013	2.2
137.02411	8.2
141.01936	12.3
149.06094	9.7
155.03452	2.9
159.03009	9.4
160.01642	10.1
161.04501	1.8
161.13344	19.4
173.04524	5.0
175.04008	13.1
178.02649	5.4
179.05569	6.4
187.11250	15.5
191.05592	15.4
193.05042	69.9
194.05351	3.3
205.12299	35.2
206.12585	3.7
209.06642	70.8
210.06894	3.9
229.12350	2.9
249.11259	22.2
287.12863	3.7
327.15878	3.0
347.14972	5.1
351.14682	2.1
367.10251	8.5
379.17532	1.9
385.11359	53.4
386.11600	5.1
411.16348	3.5
423.16379	11.7
425.16132	2.2
429.17505	16.2
441.17618	12.4
571.20264	6.4
603.23175	14.4
604.23431	2.2
617.22070	8.0
621.23889	64.9
622.24402	10.7
797.28497	100.0
798.28790	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.8
58.00586	2.9
59.01375	63.5
61.98822	3.2
66.16413	1.5
67.01879	3.0
68.99802	3.4
69.02967	3.2
69.03457	14.3
70.47172	5.7
71.01376	50.5
72.99298	16.1
73.02941	2.8
75.00867	4.3
79.01899	4.0
79.95757	2.6
83.01373	6.9
85.02949	49.0
87.00864	18.8
87.04498	4.0
89.02438	36.2
89.03924	2.0
93.03420	3.3
95.01380	5.8
96.96001	11.5
97.02945	18.4
99.00851	6.7
99.04524	3.5
101.02442	18.3
101.71758	2.0
110.42539	1.6
111.00862	8.1
113.02450	19.7
115.03994	4.4
117.03432	5.9
119.03504	10.9
121.02931	2.8
129.01938	31.0
131.03441	2.5
132.02165	2.5
133.99274	1.8
134.03740	93.1
135.04491	1.7
137.02383	8.5
141.01924	12.0
143.03537	1.9
149.06035	11.1
155.03462	3.3
159.02972	9.2
160.01642	12.0
161.04541	2.3
161.13353	23.7
165.38684	1.7
173.04579	8.1
173.08415	1.7
175.02650	2.2
175.04022	11.8
178.02719	6.0
179.05574	4.4
187.11267	14.4
191.05609	19.5
193.05052	75.5
194.05405	3.6
203.55074	1.8
204.00749	1.9
205.12305	38.4
205.15240	2.0
206.12576	3.0
209.04663	3.6
209.06648	66.9
229.12256	2.3
231.10051	3.7
249.11320	17.3
268.14862	2.1
283.19611	1.9
327.16071	2.8
347.14987	3.8
367.10120	6.9
379.17395	2.6
385.11377	54.3
386.11661	5.8
397.18753	4.1
419.35242	1.9
423.16525	12.5
429.17355	16.6
430.17819	2.1
441.17728	12.3
539.86487	2.0
571.20581	6.6
573.22736	2.6
577.84167	2.0
603.22931	16.5
604.22607	2.4
605.21875	2.7
617.21960	9.8
618.22412	2.1
621.23914	55.6
622.24249	11.8
797.28723	100.0
797.42554	7.4
798.29150	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	796.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.3
70.63655	2.4
71.01326	0.9
72.37994	0.8
78.16784	0.8
79.95708	1.4
80.05048	4.8
93.89428	0.8
94.02973	2.4
94.06629	2.2
94.31249	0.9
96.96010	6.4
104.05069	2.1
106.06617	2.1
107.03777	5.4
108.04530	2.2
120.08111	0.8
122.06117	31.5
123.03300	0.9
123.50122	0.9
124.04020	2.2
133.02975	1.0
134.03654	0.9
134.06082	3.9
135.04550	1.7
136.04018	3.6
138.05597	2.7
139.02747	2.2
139.03905	0.8
147.05603	1.9
148.04039	1.0
148.38127	0.8
150.05583	7.6
152.07167	44.8
153.07491	1.7
160.03987	1.9
162.05524	0.9
164.06947	1.2
174.05562	1.4
177.44756	0.9
201.10333	5.4
202.10696	1.0
213.10422	5.3
223.08612	1.1
227.11925	4.3
229.09792	9.7
229.13419	3.8
231.27472	0.8
237.10254	1.9
239.11858	3.5
241.09726	1.7
243.11324	1.5
245.12968	7.6
246.13492	1.1
249.10193	1.1
255.11313	5.8
257.12921	2.9
258.13290	1.0
263.08234	1.6
265.09872	2.1
267.11258	1.5
273.12445	4.9
275.13947	1.5
277.09799	1.5
278.10526	2.8
279.11285	1.3
289.11844	2.0
291.11218	2.3
295.10831	1.8
301.11877	10.2
309.12216	1.8
313.11908	3.7
319.12976	42.0
320.13281	3.8
323.10303	3.4
325.12180	1.9
327.13394	3.5
330.12610	1.6
339.09494	1.0
355.12909	4.2
359.12625	1.1
360.13553	1.0
372.13318	1.8
374.15067	8.5
375.15567	1.4
386.11169	1.7
391.15491	3.1
392.16116	7.4
403.14700	1.1
415.15143	1.1
416.16238	5.7
418.14160	1.6
434.16946	4.6
446.16937	0.9
531.26239	1.2
539.23016	1.4
557.24023	7.7
558.24365	1.9
564.02368	1.0
581.23956	1.7
599.15955	1.6
599.25104	22.9
600.25409	4.8
602.24115	2.0
615.24530	2.0
631.27881	1.7
643.24017	60.9
644.24261	10.4
675.26611	100.0
676.26886	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	795.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.2
59.01381	3.8
59.12230	1.0
61.61364	1.0
68.99807	1.7
71.01377	8.5
72.99303	85.0
73.02934	1.0
73.99629	1.1
75.00869	100.0
76.01204	2.2
78.62489	1.0
83.01405	2.3
85.02946	27.6
86.03268	1.7
87.00877	2.9
95.01420	4.8
95.09116	1.0
96.71015	1.0
96.95998	8.3
98.17873	1.0
99.00866	5.9
99.34228	1.0
103.00362	23.3
111.00873	1.7
113.02442	17.2
116.01098	1.0
117.01945	2.1
129.01949	1.6
130.99854	39.0
157.01405	1.9
207.06619	1.2
259.44919	1.1
421.13840	1.3
439.32224	1.1
571.38818	1.1
632.38916	2.1
633.38733	2.1
663.37482	41.9
664.37970	8.3
794.44391	10.6
795.37073	74.1
796.37872	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	796.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.3
70.63655	2.4
71.01326	0.9
72.37994	0.8
78.16784	0.8
79.95708	1.4
80.05048	4.8
93.89428	0.8
94.02973	2.4
94.06629	2.2
94.31249	0.9
96.96010	6.4
104.05069	2.1
106.06617	2.1
107.03777	5.4
108.04530	2.2
120.08111	0.8
122.06117	31.5
123.03300	0.9
123.50122	0.9
124.04020	2.2
133.02975	1.0
134.03654	0.9
134.06082	3.9
135.04550	1.7
136.04018	3.6
138.05597	2.7
139.02747	2.2
139.03905	0.8
147.05603	1.9
148.04039	1.0
148.38127	0.8
150.05583	7.6
152.07167	44.8
153.07491	1.7
160.03987	1.9
162.05524	0.9
164.06947	1.2
174.05562	1.4
177.44756	0.9
201.10333	5.4
202.10696	1.0
213.10422	5.3
223.08612	1.1
227.11925	4.3
229.09792	9.7
229.13419	3.8
231.27472	0.8
237.10254	1.9
239.11858	3.5
241.09726	1.7
243.11324	1.5
245.12968	7.6
246.13492	1.1
249.10193	1.1
255.11313	5.8
257.12921	2.9
258.13290	1.0
263.08234	1.6
265.09872	2.1
267.11258	1.5
273.12445	4.9
275.13947	1.5
277.09799	1.5
278.10526	2.8
279.11285	1.3
289.11844	2.0
291.11218	2.3
295.10831	1.8
301.11877	10.2
309.12216	1.8
313.11908	3.7
319.12976	42.0
320.13281	3.8
323.10303	3.4
325.12180	1.9
327.13394	3.5
330.12610	1.6
339.09494	1.0
355.12909	4.2
359.12625	1.1
360.13553	1.0
372.13318	1.8
374.15067	8.5
375.15567	1.4
386.11169	1.7
391.15491	3.1
392.16116	7.4
403.14700	1.1
415.15143	1.1
416.16238	5.7
418.14160	1.6
434.16946	4.6
446.16937	0.9
531.26239	1.2
539.23016	1.4
557.24023	7.7
558.24365	1.9
564.02368	1.0
581.23956	1.7
599.15955	1.6
599.25104	22.9
600.25409	4.8
602.24115	2.0
615.24530	2.0
631.27881	1.7
643.24017	60.9
644.24261	10.4
675.26611	100.0
676.26886	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	794.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01370	1.5
61.98824	0.4
67.01884	0.4
69.03451	1.0
70.43149	1.2
71.01381	1.2
72.77450	0.3
72.99314	1.0
76.46516	0.4
79.95735	0.6
85.02951	2.3
87.00860	0.8
89.02443	0.3
92.86425	0.4
96.96009	5.3
97.02968	0.9
101.02444	0.6
102.05599	1.2
107.05003	0.6
113.02441	0.4
117.03442	0.5
122.89086	0.3
128.03528	0.9
129.01891	1.6
133.02946	2.2
134.03738	9.6
135.04518	100.0
136.04825	4.5
149.06117	1.1
160.01678	1.2
161.02443	9.2
162.02782	0.6
162.80563	0.4
165.05550	0.4
170.81360	0.4
173.27654	0.3
175.04004	1.5
177.01967	0.5
178.02606	0.5
179.03424	0.4
191.05632	1.0
193.05043	4.8
209.06644	2.3
246.07652	3.5
263.35526	0.4
264.08737	22.3
265.09198	2.1
287.09354	0.6
297.10025	0.4
306.09824	0.4
367.10245	1.2
385.11453	2.7
388.10376	0.9
408.13345	0.5
421.14603	0.5
426.14001	19.1
427.14413	2.5
447.09085	0.5
451.16553	2.3
452.16974	1.0
500.57629	0.4
582.16022	0.9
614.18964	0.8
632.20020	1.3
794.25012	10.5
795.25684	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	794.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01374	0.5
63.21226	0.3
65.92699	0.3
68.99809	0.5
69.03446	1.0
69.50433	0.7
69.50829	2.2
71.01394	0.6
72.99319	0.9
73.02913	0.4
85.02962	1.4
87.00878	0.5
89.03960	0.4
91.05472	0.3
93.54003	0.3
96.96008	1.3
97.02946	1.1
102.05609	1.2
107.05022	0.5
111.00943	0.5
117.03475	0.6
117.05919	0.3
128.03546	0.9
129.01947	1.1
133.02956	1.4
134.03737	9.5
135.04515	100.0
136.04878	3.7
141.01949	0.6
149.06084	1.1
159.03084	0.4
160.01660	1.0
161.02435	8.9
165.05527	0.3
175.04008	1.5
178.02751	0.4
182.08261	0.5
191.05586	0.7
193.05067	5.0
209.06624	2.5
246.07695	4.4
247.08028	0.4
264.08734	28.9
265.09067	1.9
306.09839	0.4
367.10333	0.7
385.11588	1.6
388.10190	1.7
408.13007	0.6
426.14014	12.3
427.14371	1.4
438.14029	0.4
449.15173	0.4
451.16171	0.6
550.16077	0.4
563.38861	0.3
582.16052	1.0
614.18732	1.1
618.20215	0.4
632.19800	2.6
759.42218	0.4
794.24994	12.4
795.25610	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	795.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.8
58.00575	1.1
59.01375	22.0
61.98813	0.9
67.01870	1.1
68.99808	1.5
69.03458	2.9
71.01376	32.1
71.22921	0.6
72.01721	0.5
72.99301	10.3
73.02943	9.2
75.00866	18.5
79.95718	1.4
81.03458	0.9
83.01382	3.6
84.50086	0.3
85.02946	23.4
86.03281	0.8
87.00865	7.3
89.02438	10.5
91.03990	0.4
93.03444	0.9
95.01375	5.0
95.01977	0.4
95.95223	0.6
96.96008	3.9
97.02936	2.4
98.33408	0.3
99.00872	17.4
99.04509	1.1
99.15366	0.3
101.02436	9.6
103.00351	1.5
108.02148	0.8
111.00885	1.5
111.04480	0.5
113.02440	21.4
115.00371	1.8
115.03949	0.8
117.01943	2.3
119.03459	1.0
123.00949	0.3
125.02420	1.4
129.01923	2.4
130.99843	0.6
131.03481	1.5
134.03767	0.5
135.04439	0.4
139.00348	0.7
141.01924	0.3
143.03436	0.6
145.36768	0.4
149.02374	0.5
149.06007	0.5
150.03206	0.8
157.01372	0.8
159.02960	0.6
161.04523	1.5
162.03200	0.7
164.04726	0.4
165.01892	0.5
165.05566	0.8
173.71434	0.3
175.02521	2.3
177.05548	0.7
177.09225	0.5
179.03448	0.4
179.07085	0.4
189.04160	0.5
191.03157	0.3
191.05608	0.9
191.10663	0.4
193.04984	1.1
195.06569	1.5
209.06679	0.6
210.63800	0.4
231.05061	1.3
233.15369	0.7
235.17027	8.0
236.17343	0.7
249.06113	9.4
250.06503	0.6
251.16490	1.2
256.99576	0.9
267.07217	1.7
299.16489	7.8
300.16745	0.9
343.11856	0.9
360.09625	0.5
360.60498	0.4
401.12292	0.5
413.21774	2.0
423.14087	0.3
443.20706	0.6
485.23730	2.0
503.22937	0.7
527.24854	0.4
545.26093	5.1
546.26074	0.8
597.20001	0.6
795.32849	100.0
796.33148	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	793.4361
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03452	7.7
58.54771	1.2
59.01377	5.9
61.98829	4.2
62.43455	1.2
63.51678	1.4
68.99809	2.0
69.52024	1.3
71.01377	8.8
71.62089	1.5
72.99304	25.3
75.00868	68.3
83.01396	3.1
85.02948	35.3
85.03441	2.1
87.00874	2.4
89.02473	1.4
95.01389	3.0
96.96017	6.0
99.00909	4.4
101.65380	1.3
103.00385	4.6
111.00907	2.4
113.02446	17.3
115.00382	2.1
116.98290	3.1
117.01948	1.7
130.99884	8.6
160.71992	1.3
183.74693	1.4
253.30121	1.4
307.59955	1.5
346.88361	1.4
347.70670	1.4
381.71646	1.3
455.35599	2.1
569.38116	6.9
587.39655	2.5
631.38733	8.4
632.38672	1.7
633.36969	4.2
645.36292	1.7
661.36572	4.1
691.37500	3.7
749.38068	2.6
793.44177	100.0
794.44580	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	793.437
Annotation	A 77003
Peak:m/z	Relative Intensity
55.84406	0.3
57.03440	2.3
58.00579	1.0
59.01376	21.1
62.01374	0.3
66.02068	0.3
67.01872	1.2
67.02204	0.3
68.99805	1.1
70.62651	0.8
71.01378	15.5
72.99304	3.8
73.02926	1.3
75.00866	4.6
80.19025	0.3
83.01377	4.7
85.02945	12.7
86.03278	0.4
87.00891	1.7
89.02439	10.3
95.01378	6.4
97.02950	1.5
99.00877	4.3
101.02432	7.7
111.00875	5.8
113.02444	12.8
119.03488	2.9
129.01938	0.8
130.99895	0.4
131.03566	0.4
139.00368	2.9
143.03522	0.4
157.01382	0.7
161.04507	0.8
162.90587	0.3
258.20251	0.4
290.15729	0.3
292.31433	0.3
437.34164	0.8
453.33676	2.7
455.35184	5.7
456.35760	0.6
483.34689	2.3
489.72253	0.3
511.34381	1.0
523.37750	0.4
537.35840	1.0
549.36017	0.6
551.37402	2.5
552.37830	0.4
569.38745	2.2
570.38660	0.6
631.38556	0.7
793.43738	100.0
794.44092	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.9
58.00587	0.7
59.01376	18.4
60.38673	0.7
61.98811	1.0
67.01883	2.9
68.99809	1.3
69.03425	0.8
71.01376	16.0
71.57764	0.9
72.99303	11.9
73.02936	1.5
75.00866	13.8
83.01379	4.3
84.02179	0.6
84.56146	0.6
85.02949	15.5
87.00886	1.5
89.02437	8.0
95.01384	6.6
96.95992	1.8
97.02958	3.2
97.06553	0.8
99.00890	6.7
101.02434	2.7
103.00377	1.1
111.00867	6.0
112.01657	2.6
113.02453	11.4
115.00377	0.9
116.98286	1.3
130.99846	1.8
131.03461	0.8
139.00372	3.6
157.01434	0.8
214.96060	0.7
342.67834	0.7
451.32098	2.5
453.33621	2.6
485.36069	0.8
569.38519	0.9
596.84021	0.7
613.37555	0.8
633.37152	1.5
661.36401	1.1
691.36829	1.3
749.39014	2.2
750.39557	0.9
793.43854	100.0
794.44122	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44576	1.4
56.99170	1.5
57.03442	9.0
59.01370	9.4
61.98827	5.9
68.99832	1.9
71.01385	11.5
71.62083	2.8
72.99300	79.6
73.02941	2.4
73.23101	1.4
75.00865	100.0
77.23945	1.5
78.32782	1.7
78.56394	1.5
79.95729	1.5
81.03469	1.9
83.01382	3.2
85.02947	39.0
86.03302	1.8
87.00884	3.7
89.02454	1.7
95.01402	4.7
96.96001	8.4
97.02971	2.8
99.00891	5.3
100.03416	1.5
103.00355	15.0
109.02910	2.4
111.00842	1.8
112.01627	1.6
113.02446	23.0
114.86221	1.6
115.00379	6.1
116.98304	9.8
117.01917	4.2
121.42342	1.4
129.01990	4.1
130.99858	32.4
154.63820	1.5
157.01392	1.8
161.00912	2.7
205.85576	1.4
253.81152	1.5
455.35837	2.7
485.32651	2.7
497.36169	1.9
562.81610	1.8
569.38263	3.5
629.40021	3.6
631.38489	13.3
632.38824	2.7
633.39868	22.7
634.39917	4.5
661.36029	11.8
662.36407	3.4
673.39703	16.0
674.39819	4.4
691.40692	11.2
749.41034	25.8
750.41559	3.8
793.38501	48.9
794.39569	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	793.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03448	5.4
58.00588	1.0
59.01382	2.5
68.99809	2.2
70.98712	1.0
70.99055	0.9
71.01381	5.9
72.99305	100.0
73.99636	0.8
75.00871	88.2
76.01189	0.8
83.01360	1.2
85.02949	22.3
86.03275	0.7
87.00866	2.0
88.65799	0.7
95.01376	3.3
96.95992	1.5
99.00878	3.7
103.00369	27.1
113.02441	11.9
115.00343	1.4
116.01141	0.8
116.98270	2.4
117.01910	1.3
128.17664	0.7
129.01907	1.0
130.99858	60.7
132.00096	1.1
157.01375	1.7
242.45326	0.7
294.14014	0.7
307.02740	0.8
441.33139	0.7
483.30594	1.3
485.32767	5.8
486.32455	1.0
539.33026	0.9
569.38086	1.1
585.33710	1.4
629.39703	1.2
631.37640	2.1
633.40155	4.7
634.39978	1.1
661.35858	33.5
662.36322	7.9
673.37689	1.4
691.40747	3.7
692.38782	0.9
749.40991	5.8
750.40753	1.4
793.35522	74.3
794.35706	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	793.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.9
57.81451	1.7
59.01359	8.1
70.11787	1.7
71.01387	8.5
71.62761	1.6
72.99303	100.0
75.00869	73.1
83.01376	2.9
85.02935	19.9
86.03310	1.9
87.00840	3.3
89.02410	4.4
90.17831	1.8
95.01382	4.3
96.95985	7.7
99.00847	4.2
103.00367	24.2
109.02962	3.1
111.00817	3.1
113.02439	13.2
129.01939	2.3
130.99863	60.7
151.04027	2.0
153.01920	8.1
193.05028	2.5
300.44946	2.4
441.33539	6.7
638.21564	2.1
639.21381	5.2
661.35815	32.8
662.35999	7.3
749.38275	2.9
793.37292	88.6
794.37677	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	793.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03434	3.9
59.01368	3.7
59.68158	1.1
65.34344	1.2
66.58667	1.1
68.99789	1.6
69.03473	1.5
69.68877	2.4
69.69292	4.4
71.01379	10.5
72.99306	91.1
75.00871	100.0
76.01178	1.5
79.95717	4.7
80.96489	1.5
83.01378	1.9
85.02950	28.1
87.00858	3.6
89.02419	1.9
89.46320	1.3
95.01387	5.5
96.96017	12.0
98.50615	1.2
99.00861	4.9
101.02419	2.1
103.00362	19.1
112.01604	2.0
113.02444	21.1
115.00361	5.3
116.98306	10.6
117.01892	1.3
120.99649	6.0
129.01915	3.0
130.99864	39.2
133.01433	2.1
138.97104	1.4
256.99789	2.1
307.03015	1.3
398.64413	1.2
457.33392	6.5
485.32819	3.5
486.33762	1.4
557.34418	1.5
571.36896	2.6
615.35785	2.4
629.37195	6.1
633.36334	23.8
634.36938	5.9
655.24402	1.5
661.25146	2.6
661.35907	36.7
661.47083	1.9
662.35974	8.7
673.35901	4.8
689.35187	1.5
691.36737	13.1
692.37891	3.0
733.35229	2.0
734.33984	1.5
749.37329	25.4
750.37933	7.4
788.48486	1.4
793.36572	85.9
794.24927	2.0
794.37152	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	791.3851
Annotation	Bryostatin 20
Peak:m/z	Relative Intensity
55.01871	4.5
57.03447	10.3
58.00589	2.6
59.01369	6.7
67.01878	5.9
68.99812	2.8
69.03444	4.4
71.01377	13.5
72.99303	63.0
73.02950	2.7
75.00869	60.7
76.30592	2.0
78.92565	2.1
78.95914	2.1
79.01881	4.4
83.01375	6.4
85.02953	32.1
87.00856	4.8
95.01373	11.5
96.96000	16.8
97.02947	6.2
99.00877	7.1
99.82061	2.3
100.98777	4.8
103.00382	2.5
109.02952	2.7
111.00871	7.0
112.01651	4.2
113.02435	22.0
115.00338	9.1
116.98280	11.7
125.02416	2.1
129.01938	2.5
130.99876	2.6
133.01392	3.1
139.00354	3.1
140.83795	2.0
149.19391	1.9
162.23975	2.2
177.16728	2.0
210.72845	2.4
291.03568	3.4
304.66745	2.1
326.38852	2.3
342.19641	2.0
481.33307	2.9
497.32846	5.7
499.34283	18.0
500.34778	3.7
627.38794	3.7
631.38574	20.1
632.38971	3.1
671.37744	5.9
675.37592	5.0
689.38611	7.9
719.40411	6.8
732.34546	2.7
747.39526	100.0
748.39917	25.9
755.35657	3.9
764.11237	2.6
764.57062	2.9
791.38550	80.5
792.39136	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	791.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.0
57.03441	4.2
59.01361	5.0
61.98824	1.5
62.72185	1.5
66.46873	1.4
68.99809	2.4
71.01376	14.0
72.99305	82.6
73.02954	1.8
75.00870	76.0
83.01369	2.3
85.02945	27.7
87.00855	1.9
95.01389	5.5
96.96002	5.8
99.00864	4.9
100.98783	4.3
109.02961	2.3
111.00866	1.9
112.01675	3.1
113.02453	16.6
115.00366	15.2
116.98289	3.3
130.99835	5.3
148.31337	1.8
204.29958	1.6
212.41795	1.7
291.03555	4.5
301.99762	1.6
371.14948	1.7
497.32977	2.4
499.34201	10.6
500.34393	2.9
506.56677	1.8
513.66901	1.7
527.32703	1.8
599.35620	2.2
619.84863	1.8
631.37518	4.1
657.36853	2.1
671.37451	4.5
675.25861	3.0
675.37335	39.1
676.38025	8.8
731.36340	3.2
747.38293	6.3
748.37427	2.1
785.54449	1.7
791.38513	100.0
792.38940	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	791.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.7
55.45364	0.9
57.03445	7.4
58.00595	1.2
59.01370	5.5
67.01877	2.1
68.99815	1.5
69.03445	1.5
70.66104	1.7
71.01382	12.4
72.99304	62.1
73.99642	0.9
75.00868	100.0
81.03440	1.4
83.01393	1.8
84.02155	1.1
85.02947	39.5
86.00072	0.9
86.03297	1.2
87.00874	3.7
89.02444	2.1
90.25655	0.8
95.01388	5.9
97.02934	2.5
99.00874	5.0
103.00403	1.5
109.02942	3.2
111.00858	1.3
112.01656	2.5
113.02442	28.6
115.00365	12.9
116.98299	25.7
117.01921	1.5
125.02418	1.4
129.01930	1.8
133.01427	8.3
157.01393	2.6
158.99329	1.4
174.98763	1.9
175.02460	1.2
194.26639	0.9
291.03540	2.9
321.59052	0.9
437.34335	1.8
453.33594	2.9
455.35187	13.2
456.35440	2.5
483.34637	3.3
509.36325	1.4
511.34622	1.0
555.37238	2.4
569.38580	3.1
570.38440	1.2
613.37537	5.8
627.38959	15.7
628.39105	3.2
631.38440	63.1
632.38788	14.7
671.38190	6.5
672.38074	1.0
687.37207	2.3
689.38983	34.0
690.39252	6.6
719.40350	1.5
731.36407	2.5
732.37177	4.1
747.39496	55.5
748.39771	16.1
791.38562	38.0
792.38501	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	791.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
57.03438	7.1
57.13585	1.0
59.01371	5.8
63.58766	0.9
68.99816	1.1
69.03440	1.2
69.47232	7.0
71.01383	10.8
72.99300	61.4
73.99643	1.2
75.00866	100.0
75.88120	1.0
81.03438	1.4
83.01375	1.7
84.02187	0.9
85.02946	34.1
87.00851	2.9
89.02419	1.3
95.01362	5.4
97.02941	2.9
98.20621	2.0
99.00872	5.3
100.98733	1.1
103.00336	1.8
104.35445	1.1
109.02928	3.2
111.00907	1.1
112.01659	2.4
113.02444	25.4
114.93387	2.8
115.00355	11.8
116.01205	1.0
116.98291	25.9
117.01929	1.9
125.02435	1.9
129.01915	2.5
130.99808	1.9
132.52672	0.9
133.01399	9.5
148.64827	1.1
153.01874	1.1
157.01396	1.9
158.99248	1.6
175.02467	1.2
176.76366	0.9
291.03476	2.5
362.32486	1.2
365.65512	1.1
437.34106	1.9
453.33771	2.1
455.35162	14.9
455.40961	1.8
456.35562	2.8
483.34644	1.8
509.36285	2.3
555.36761	3.2
569.38287	3.4
613.37213	4.4
614.37634	1.7
627.38940	13.5
628.39209	2.2
631.38422	67.5
632.38739	15.5
671.37805	7.4
672.38202	2.4
675.38232	1.2
687.37280	1.5
689.38879	35.3
690.39294	7.4
731.36810	3.1
732.37061	4.3
747.39557	64.5
748.39758	12.8
773.19556	1.3
790.39441	1.1
791.38428	46.9
792.38641	11.8
809.14154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
67.01882	1.2
70.91105	1.8
71.01379	1.3
74.81609	0.8
74.99132	0.8
79.95730	1.4
85.02947	1.0
91.05572	0.8
92.55626	0.8
93.03429	2.1
95.01377	3.6
95.94392	0.8
96.96003	10.7
98.95568	1.6
109.02935	1.4
111.00851	2.7
111.45947	0.9
112.62807	0.7
116.37549	0.8
119.05027	1.4
121.02947	1.6
122.03716	4.3
123.00884	7.1
123.04551	1.4
124.01633	1.7
125.02417	1.3
125.99567	1.1
127.00344	1.6
133.02945	1.1
135.04510	2.0
136.98741	1.2
137.02431	4.8
138.03212	4.5
139.00354	7.4
139.03996	2.4
145.02982	1.4
146.03690	1.0
147.04462	3.6
149.02422	7.7
150.03210	30.5
151.00362	14.4
151.03860	2.8
152.01088	1.0
153.01913	5.7
153.05551	3.6
158.03770	0.9
159.04466	2.7
160.01663	1.4
161.02405	1.9
162.03174	2.0
163.03961	2.3
164.04726	2.1
165.01872	1.9
165.05553	30.0
166.02692	36.6
167.03175	1.6
173.02435	1.0
174.03180	1.5
175.03951	5.0
176.01115	1.8
176.04712	1.0
177.01929	5.1
177.05504	4.1
178.02661	3.0
179.03394	2.3
180.04280	2.7
181.05045	38.9
182.05365	2.2
188.01231	1.0
189.05545	1.5
190.02637	1.5
191.03506	10.9
192.04254	9.4
193.04993	6.1
195.06638	7.5
203.03456	19.9
204.04088	2.4
205.05038	2.9
206.05739	1.9
207.06612	7.7
208.06946	1.0
209.06635	1.5
217.05026	0.9
218.02354	1.3
218.05803	18.4
218.70013	0.8
219.06439	2.8
220.03799	1.3
221.04536	5.6
223.06079	1.3
233.08167	15.0
235.06035	2.6
236.06863	17.7
237.07243	1.4
249.07639	2.6
251.06581	1.6
251.09215	30.8
252.09517	2.7
339.08459	0.8
342.07285	1.5
343.07962	1.5
344.84729	0.7
355.08124	1.9
357.09750	2.2
358.10547	4.5
372.12192	1.4
373.08795	1.2
373.12915	9.7
385.13196	1.7
403.13809	2.3
416.11118	1.1
417.11676	2.3
418.12656	2.8
419.13089	1.4
431.13245	1.5
432.14066	3.7
433.14835	10.2
434.15546	1.1
581.20099	1.7
583.21539	1.6
611.21185	2.2
629.22296	100.0
630.22668	19.6
791.27692	32.1
792.28168	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	791.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03439	8.1
59.01364	4.6
65.10075	0.7
66.88289	0.6
67.01878	1.4
68.99811	1.4
69.03434	0.8
70.65802	1.6
71.01374	12.0
72.99301	60.8
73.02937	1.2
75.00866	100.0
81.03436	2.1
83.01392	2.4
84.02143	1.1
85.02945	35.4
86.03286	1.0
87.00874	3.1
89.02454	1.6
91.46586	0.8
95.01384	5.2
97.02941	2.3
99.00871	5.6
100.98758	1.0
101.02406	0.9
103.00346	2.0
106.89145	0.7
109.02946	2.5
111.00867	1.2
112.01657	2.4
113.02437	27.2
113.03230	1.3
114.02753	1.1
115.00375	10.9
116.98286	23.8
117.01945	2.4
128.40164	0.8
129.01920	1.7
130.99884	1.5
133.01425	7.2
139.00269	1.0
149.48140	0.8
157.01398	1.6
174.98743	1.3
175.02444	1.2
291.03531	2.4
293.54492	0.7
453.33710	2.6
455.35172	10.2
456.35110	1.2
477.09357	0.7
483.34131	1.1
484.34903	0.8
509.35995	1.2
555.36908	1.9
569.38123	3.6
587.40228	1.0
613.37433	4.2
627.38788	12.6
628.39392	2.4
631.38403	58.6
632.38715	12.1
671.38098	6.1
672.38086	1.3
687.36945	2.5
689.38977	29.4
690.39343	7.0
719.39917	1.4
731.36621	2.4
732.36932	3.1
733.36792	0.8
747.39490	56.6
748.39960	12.2
791.38391	37.7
792.38702	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	789.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
59.01373	5.3
62.38961	0.6
64.60838	0.9
67.89743	0.7
69.03427	0.8
71.01377	6.0
72.99291	1.7
73.02934	1.1
79.95731	47.3
80.96501	10.2
82.85056	0.7
83.01364	1.1
85.02937	5.4
87.00861	2.4
89.02435	1.7
93.03419	1.5
95.95221	9.4
96.96001	100.0
97.02950	1.1
98.20663	1.4
99.00877	1.8
101.02431	4.0
109.06614	1.4
111.00849	1.9
111.30791	0.7
112.33929	0.8
113.02421	3.8
122.97581	0.9
127.07636	1.9
129.01910	1.5
134.03723	3.3
135.04448	1.1
137.02438	3.8
138.97070	5.1
146.03734	1.9
149.02394	2.3
149.06085	1.3
150.03217	4.5
151.00356	2.6
151.03877	0.7
160.01596	0.9
161.02368	1.5
164.04785	1.9
165.01895	1.2
165.05598	4.6
166.02705	8.9
166.96484	1.1
167.03328	0.8
175.03954	1.8
177.05589	1.0
179.03531	1.0
179.07072	1.9
180.97975	0.9
181.05035	10.9
191.05652	0.9
193.05014	2.7
195.06613	2.8
205.05011	1.0
209.06653	1.8
225.00706	0.9
238.98631	2.1
241.00208	15.7
256.99728	2.7
287.09637	1.4
355.06946	3.4
360.09842	10.6
360.59912	4.1
361.09647	2.3
385.11243	1.2
387.10315	1.3
387.14453	2.3
393.12134	2.3
402.13177	1.5
417.15634	9.6
418.15790	0.8
421.13120	1.9
463.20035	1.2
479.19733	3.0
537.21405	1.7
597.23218	1.5
627.24512	7.5
662.47803	0.9
789.28424	80.0
790.28790	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	791.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
67.01882	1.2
70.91105	1.8
71.01379	1.3
74.81609	0.8
74.99132	0.8
79.95730	1.4
85.02947	1.0
91.05572	0.8
92.55626	0.8
93.03429	2.1
95.01377	3.6
95.94392	0.8
96.96003	10.7
98.95568	1.6
109.02935	1.4
111.00851	2.7
111.45947	0.9
112.62807	0.7
116.37549	0.8
119.05027	1.4
121.02947	1.6
122.03716	4.3
123.00884	7.1
123.04551	1.4
124.01633	1.7
125.02417	1.3
125.99567	1.1
127.00344	1.6
133.02945	1.1
135.04510	2.0
136.98741	1.2
137.02431	4.8
138.03212	4.5
139.00354	7.4
139.03996	2.4
145.02982	1.4
146.03690	1.0
147.04462	3.6
149.02422	7.7
150.03210	30.5
151.00362	14.4
151.03860	2.8
152.01088	1.0
153.01913	5.7
153.05551	3.6
158.03770	0.9
159.04466	2.7
160.01663	1.4
161.02405	1.9
162.03174	2.0
163.03961	2.3
164.04726	2.1
165.01872	1.9
165.05553	30.0
166.02692	36.6
167.03175	1.6
173.02435	1.0
174.03180	1.5
175.03951	5.0
176.01115	1.8
176.04712	1.0
177.01929	5.1
177.05504	4.1
178.02661	3.0
179.03394	2.3
180.04280	2.7
181.05045	38.9
182.05365	2.2
188.01231	1.0
189.05545	1.5
190.02637	1.5
191.03506	10.9
192.04254	9.4
193.04993	6.1
195.06638	7.5
203.03456	19.9
204.04088	2.4
205.05038	2.9
206.05739	1.9
207.06612	7.7
208.06946	1.0
209.06635	1.5
217.05026	0.9
218.02354	1.3
218.05803	18.4
218.70013	0.8
219.06439	2.8
220.03799	1.3
221.04536	5.6
223.06079	1.3
233.08167	15.0
235.06035	2.6
236.06863	17.7
237.07243	1.4
249.07639	2.6
251.06581	1.6
251.09215	30.8
252.09517	2.7
339.08459	0.8
342.07285	1.5
343.07962	1.5
344.84729	0.7
355.08124	1.9
357.09750	2.2
358.10547	4.5
372.12192	1.4
373.08795	1.2
373.12915	9.7
385.13196	1.7
403.13809	2.3
416.11118	1.1
417.11676	2.3
418.12656	2.8
419.13089	1.4
431.13245	1.5
432.14066	3.7
433.14835	10.2
434.15546	1.1
581.20099	1.7
583.21539	1.6
611.21185	2.2
629.22296	100.0
630.22668	19.6
791.27692	32.1
792.28168	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	787.342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.02959	1.0
59.01371	3.6
61.98827	7.2
66.03465	0.8
71.01371	1.8
71.02503	0.8
73.02931	0.5
74.02469	18.7
79.95724	1.3
80.73585	0.5
82.01738	2.4
82.02972	3.4
83.02499	1.1
84.00901	0.9
85.02927	1.3
85.04068	0.8
87.00843	0.8
89.02428	1.1
95.02499	0.7
96.96008	3.7
98.01221	0.5
99.01984	0.8
100.00405	0.7
101.02465	0.9
109.04057	1.6
111.02007	1.9
112.02804	2.9
112.04000	0.6
113.02438	1.1
113.03540	0.7
113.07201	1.8
116.05057	4.4
116.07209	1.1
118.06620	4.8
121.02945	0.5
121.07695	0.5
123.09278	2.1
124.04043	0.6
124.06422	0.7
125.07191	1.9
126.05595	1.4
127.05131	4.2
127.08764	2.0
128.03537	1.5
129.01900	0.9
129.10326	12.2
133.02971	1.0
134.03682	0.8
137.02448	0.9
137.03558	1.3
137.07204	1.2
138.05679	0.6
139.05093	1.3
139.08762	11.3
140.07141	2.2
141.06682	1.5
146.06122	1.7
149.02460	0.6
149.06033	0.7
150.03156	1.2
151.00313	0.6
151.05113	0.5
151.07562	0.5
151.08792	1.2
152.05917	3.9
153.06693	18.1
153.07938	0.9
154.07292	0.8
155.08237	8.1
157.09810	1.2
158.06113	0.8
159.02995	0.5
161.02452	3.7
161.07181	1.4
161.13277	1.1
163.08748	0.9
165.05524	1.3
166.09833	0.9
167.08241	24.7
168.08598	1.4
170.09622	0.5
171.07759	0.6
173.07181	3.0
173.09297	3.9
175.03909	0.6
175.08727	1.3
178.06256	0.6
179.04588	3.3
181.06236	0.6
181.09824	0.9
183.07747	1.7
184.10901	6.3
186.12460	2.0
187.05132	3.6
189.06609	2.5
193.04990	0.9
195.07852	1.2
199.07254	3.1
199.84828	0.4
201.06631	1.0
203.08339	0.5
204.45798	0.5
205.12325	1.1
206.09290	3.0
207.07713	0.7
210.08835	1.4
211.07277	3.2
211.08932	0.7
212.10397	1.5
224.10364	3.4
225.10490	1.0
228.09836	8.4
230.11488	0.5
240.11386	1.1
242.13155	0.5
249.11295	0.7
256.14673	1.1
260.14325	0.5
288.17062	0.7
300.13550	1.7
310.15469	1.1
332.16309	1.2
342.13312	1.2
353.16098	1.4
354.14615	0.8
358.13797	0.6
371.17169	4.3
375.16678	12.9
376.16879	0.7
508.22214	1.2
583.25146	100.0
584.25458	16.3
607.24072	1.1
635.04468	0.6
663.28680	1.2
787.34320	13.6
788.34875	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	785.2138
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01367	1.4
65.00311	2.1
70.59026	3.9
70.59379	1.3
83.01385	1.3
107.01373	4.4
151.00330	12.1
167.35297	1.1
178.99855	2.8
183.04491	3.7
187.03909	2.4
199.04034	7.7
210.81967	1.1
211.72253	1.3
215.03514	4.0
227.03416	11.4
228.04221	1.5
242.02112	6.5
243.02936	41.7
244.03500	3.6
255.02991	18.5
256.03275	2.7
257.04559	6.1
259.05984	1.4
270.01694	7.4
271.02441	59.2
272.02963	8.0
285.03998	11.0
286.04672	3.6
287.05566	3.3
299.01935	100.0
300.02621	37.1
301.03055	2.5
313.03500	4.9
314.04282	86.1
315.05011	54.0
316.05316	4.6
343.53793	1.3
369.06458	1.3
552.29559	1.3
636.38300	1.2
785.21375	99.7
786.21509	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	787.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01375	9.3
61.10107	0.9
61.57534	1.0
63.96181	0.9
69.77090	5.3
71.01381	14.3
72.99302	3.5
73.02946	2.6
75.00870	9.8
78.95869	1.9
79.95731	81.6
80.96510	11.6
83.01357	3.4
83.99696	0.9
84.12798	0.9
85.02953	6.9
85.63441	1.0
87.00867	3.8
89.02434	3.6
90.68725	1.1
90.97140	1.0
94.98061	1.4
95.01378	1.7
95.95226	3.0
96.96001	100.0
97.02925	2.0
98.95570	3.1
99.00876	4.8
99.19314	0.9
100.08830	1.0
101.02423	5.1
109.65257	1.1
111.00865	8.4
113.02437	2.9
117.01924	12.8
118.96579	2.1
119.03463	1.3
129.01935	4.8
130.96094	0.9
134.03729	9.0
137.02342	1.2
138.97044	5.1
144.98186	1.3
149.02472	2.2
149.06110	1.9
150.03183	2.7
150.60660	0.9
153.01964	1.2
154.96362	1.0
159.02924	1.8
161.00937	1.2
164.04694	1.1
165.05565	5.0
175.03969	1.5
178.02469	0.9
191.05577	1.6
193.05042	6.9
195.06543	1.7
205.05170	1.1
210.99196	1.4
223.06059	2.2
238.98610	9.6
241.00209	9.7
256.99716	29.2
257.99966	1.6
283.53061	1.2
321.43744	1.0
367.10153	1.8
375.02573	1.3
418.20859	1.9
437.18240	1.4
439.21512	5.5
439.71689	4.3
461.18146	1.4
463.20151	12.0
464.20337	2.3
499.21799	23.0
499.34274	2.6
499.72015	11.9
500.22214	2.9
518.19122	8.9
518.69214	6.6
519.19263	2.3
519.69763	1.4
561.16223	2.0
611.19800	6.2
612.20129	2.2
625.24908	1.2
707.32074	3.4
787.30487	77.9
788.30731	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2135
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.76856	0.3
59.01376	2.5
63.02389	0.3
65.00335	0.5
66.80372	0.3
70.92966	0.7
71.01367	0.7
71.34582	0.3
73.02977	0.3
78.95883	0.6
81.98223	0.3
83.01384	0.4
88.83106	0.3
89.02451	0.7
96.96001	1.4
101.02416	0.7
107.01384	1.2
113.02393	0.4
125.02409	0.3
130.04213	0.5
131.05017	1.0
134.03674	0.4
135.04518	0.7
137.02446	0.6
145.03003	0.4
148.04024	2.9
149.02466	1.6
149.04338	0.6
149.06023	0.8
150.03011	0.4
151.00340	3.2
163.11285	1.0
164.01140	0.5
183.04390	0.5
199.03955	1.2
201.01984	0.4
204.04178	0.6
214.02682	0.8
215.03427	0.7
226.02733	0.4
227.03471	2.2
241.01480	0.4
242.02176	7.0
243.02917	9.2
244.03514	1.0
245.00919	2.2
254.02138	0.4
255.02917	4.3
256.03546	0.6
257.04532	1.8
270.01663	12.1
271.02432	14.5
272.02917	1.8
285.04050	6.5
286.04660	1.7
287.05496	1.0
298.01154	3.2
299.01929	19.6
300.02682	15.0
301.03027	1.1
303.49609	0.3
305.06882	1.2
312.02753	0.5
313.03503	31.0
314.04260	33.2
315.05032	32.5
316.05408	2.8
356.05106	0.4
357.06052	1.1
387.16629	3.3
388.16821	1.5
461.06882	0.5
476.09235	1.7
477.10226	0.8
623.16064	100.0
624.16406	18.8
624.26801	0.6
665.17450	0.6
785.20972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.02116	0.2
57.03445	2.8
58.00582	0.8
59.01377	14.5
61.98823	0.2
67.01891	1.3
68.99813	0.9
69.88609	0.2
70.25256	0.2
70.25592	0.6
71.01379	12.3
72.01695	0.2
72.99306	3.8
73.02932	0.9
75.00867	4.9
79.95715	0.2
83.01386	3.4
85.02949	11.1
87.00880	0.9
88.98792	0.5
89.02439	7.8
95.01386	5.0
96.01736	0.2
96.96007	2.8
97.02934	1.2
99.00877	5.4
101.02447	0.8
103.00380	0.3
109.02966	0.2
111.00874	5.2
112.01625	0.3
113.02448	8.5
114.02721	0.2
127.00336	0.2
129.01933	1.3
130.99884	0.2
131.03505	0.6
135.65794	0.2
139.00360	3.6
149.04626	0.2
157.01350	1.0
175.02411	0.3
191.72922	0.2
193.35591	0.2
348.17242	0.3
455.35544	0.4
471.34827	1.3
473.36285	4.2
474.36667	0.9
501.35815	2.1
502.36365	0.4
529.35150	0.4
541.39319	0.5
555.36798	1.2
556.37061	0.3
567.36755	0.4
569.38477	3.0
570.38495	0.3
587.39587	3.0
588.39850	0.6
649.39661	1.0
781.43750	100.0
782.44000	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.50523	0.2
57.03445	2.5
58.00590	0.9
59.01373	12.3
60.01675	0.2
61.98823	0.3
62.79268	0.2
67.01885	1.3
68.99815	1.1
69.03434	0.2
70.20174	0.8
71.01374	12.6
71.05025	0.7
72.99302	3.5
73.02939	1.2
75.00864	4.1
79.44485	0.2
79.95731	0.5
83.01376	3.4
84.02184	0.2
85.02939	10.4
86.03259	0.2
87.00877	0.9
87.12704	0.2
89.02438	7.3
89.02993	0.4
95.01379	4.9
96.96001	9.1
97.02950	1.5
99.00870	5.3
101.02457	1.0
111.00130	0.3
111.00870	5.4
112.01670	0.4
113.02440	7.9
114.02762	0.3
115.00362	0.2
117.01833	0.2
117.27351	0.2
119.03444	0.3
129.01942	1.2
130.99820	0.3
131.03484	0.6
139.00365	2.8
149.04536	0.4
157.01413	1.1
175.02457	0.3
191.05508	0.3
193.04993	0.2
202.40410	0.2
218.42793	0.2
375.88773	0.2
409.34445	0.2
411.32578	0.4
413.33994	0.4
441.33585	0.4
471.34674	1.6
473.36279	4.9
474.36539	0.6
501.35706	1.9
502.36374	0.4
529.35254	0.6
541.38629	0.3
555.36572	0.9
567.36835	0.4
569.38318	2.6
570.38623	0.5
587.39575	1.8
588.39435	0.4
624.43768	0.2
631.39185	0.3
649.39355	0.7
694.83759	0.2
737.32294	0.2
781.43689	100.0
782.44006	25.1
783.42273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03437	1.9
59.01374	12.0
60.99292	2.0
61.98814	1.1
67.01885	1.5
68.99832	1.1
71.01382	10.8
71.47047	0.4
72.99305	5.9
73.02921	1.0
75.00871	6.2
77.97250	0.4
82.42589	0.4
83.01375	3.4
85.02943	9.5
85.63020	0.4
87.00871	1.3
89.02438	6.1
95.01378	4.7
96.95972	0.8
97.02946	1.6
99.00870	5.4
101.02412	0.6
101.08772	0.4
103.00342	0.6
105.20164	0.4
105.88426	0.4
107.01372	0.8
111.00872	4.4
112.01642	0.8
113.02431	6.7
114.75015	0.4
119.05020	1.5
129.01906	0.6
130.99861	1.5
131.03479	0.6
133.00383	0.5
139.00365	3.0
151.00325	2.7
157.01479	0.7
242.89609	0.5
271.06049	5.8
408.12476	0.5
409.34607	3.0
455.35318	0.7
462.84418	0.4
471.34634	1.9
473.36353	6.3
474.36499	1.1
501.35876	1.5
502.35953	0.8
515.37238	0.6
555.37146	1.6
569.38391	1.2
570.38208	0.7
587.39557	1.7
649.37469	0.7
719.43750	1.7
720.44330	0.6
781.43744	100.0
782.44006	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
59.01374	11.7
60.99307	4.4
61.98822	1.4
67.01876	2.5
68.99792	1.0
70.14757	1.3
71.01380	13.4
72.99307	10.1
73.02939	1.2
75.00866	12.9
79.95704	0.7
83.01373	3.5
85.02947	12.4
87.00867	1.2
88.98792	0.9
89.02431	7.0
95.01366	5.2
96.96001	3.4
97.02956	3.9
98.19882	0.8
99.00867	5.9
101.02412	1.2
103.00372	1.3
109.02904	0.9
111.00865	4.0
112.01644	1.1
112.76424	0.7
113.02434	8.6
116.98307	0.9
128.96162	0.6
129.01953	1.6
130.99854	2.3
139.00362	2.5
157.01361	1.1
223.26024	0.8
295.59061	0.8
391.30035	1.5
407.33258	4.2
408.52274	0.7
582.18274	0.8
615.38586	1.3
619.38324	2.3
647.38074	1.3
677.39642	1.1
717.42139	0.9
735.40009	3.3
779.42114	100.0
780.42474	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82684	6.7
59.01365	18.3
61.98822	26.2
66.11990	7.6
69.60228	15.9
69.60629	38.2
71.01375	13.3
79.95732	11.7
80.40915	6.4
85.02904	10.9
89.02444	11.0
96.95442	7.8
96.96005	100.0
99.00878	7.0
101.02441	8.6
113.02452	12.3
113.31569	6.5
135.04555	7.8
137.02487	7.7
141.12222	8.2
148.04109	10.2
149.02370	14.7
150.03239	36.8
150.76276	7.0
151.03961	18.5
161.02441	19.3
163.06331	11.3
165.05540	45.6
175.03976	9.0
180.04289	9.7
181.05095	9.4
193.04993	12.4
195.06654	35.0
238.27406	7.4
256.99533	9.3
294.84204	8.1
301.10272	7.8
335.12207	14.0
339.08481	10.6
340.11911	10.9
341.12061	8.2
357.13742	8.2
358.13010	12.0
363.10498	7.9
369.13541	18.0
535.19116	13.6
569.19928	12.4
583.21820	93.1
584.21960	21.8
781.23969	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03445	2.3
58.00593	0.9
59.01376	12.3
67.01886	1.5
68.99809	1.2
69.03453	0.4
69.38400	2.2
69.38806	0.9
71.01379	13.3
72.99301	20.7
73.02942	1.1
73.71238	0.4
75.00868	23.2
83.01380	3.5
83.11518	0.4
85.02945	16.5
86.03290	0.6
87.00877	1.0
89.02444	6.9
92.11794	0.5
95.01382	5.6
96.96014	1.1
97.02946	1.5
99.00871	7.0
101.02438	1.4
103.00375	3.8
111.00864	5.0
112.01647	0.8
113.02443	11.0
115.00355	1.1
116.98321	2.1
117.01952	0.6
128.73659	0.4
129.01952	1.3
130.99855	8.2
131.03484	0.7
133.01456	0.5
134.03654	0.4
139.00356	3.5
157.01413	1.3
175.02434	0.5
224.87997	0.3
351.26974	0.4
389.20398	0.5
407.32883	0.5
441.34039	0.4
465.67963	0.4
469.27496	0.4
469.33325	2.2
470.33444	0.4
471.34750	7.3
472.35040	0.9
499.34381	2.9
527.33740	0.9
534.00232	0.4
539.37415	0.5
553.35095	1.0
567.37000	3.3
568.36841	0.9
571.36316	0.5
585.37891	2.7
586.38611	0.6
615.38977	0.9
619.38416	5.1
620.38977	1.1
647.37976	5.0
648.38293	1.1
659.37708	0.6
677.39349	2.7
678.39484	1.0
735.39496	4.4
736.40283	1.4
779.41998	100.0
780.42322	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	779.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18734	0.5
57.03440	2.7
58.00581	0.5
59.01092	0.8
59.01375	16.7
60.01691	0.4
60.99292	0.8
65.00314	0.7
67.01873	2.4
68.99802	1.0
69.43906	4.1
71.01373	15.2
72.99299	6.2
73.02923	0.8
74.51229	0.5
75.00866	8.2
83.01383	5.1
85.02943	15.9
87.00848	1.5
89.02433	10.4
95.01379	7.2
96.95982	0.7
97.02957	3.2
99.00871	6.4
101.02388	1.0
111.00866	8.3
112.01640	1.8
112.35767	0.5
113.02438	11.3
119.04991	1.3
129.01936	1.1
130.13152	0.5
130.99837	1.3
131.03506	1.1
139.00322	3.3
151.00334	3.2
157.01349	0.9
185.06094	0.5
208.59680	0.5
249.42699	0.6
256.92639	0.5
271.06091	7.4
407.33096	1.7
411.18533	0.5
471.34689	0.6
478.99524	0.5
511.97025	0.5
587.37219	0.5
599.14014	0.5
619.38940	0.5
631.38342	0.9
647.37592	1.1
735.39233	0.6
779.42126	100.0
780.42548	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60921	0.5
55.01868	1.5
57.03444	4.0
58.00583	0.8
59.01375	16.7
60.74871	0.5
60.86359	0.6
61.98820	1.3
64.27440	0.5
67.01888	1.2
68.99803	1.5
69.03461	0.6
71.01376	18.3
71.61976	0.5
72.99301	14.0
73.02937	2.0
75.00870	16.6
78.65585	0.5
83.01380	4.8
85.02942	16.3
87.00874	1.7
89.02431	11.3
95.01373	6.6
97.02954	0.9
99.00867	7.3
101.02430	1.2
103.00361	2.7
111.00871	8.6
112.01705	0.6
113.02450	10.3
129.01929	1.6
130.99857	6.3
131.03503	1.1
139.00380	2.7
151.00293	0.6
157.01387	1.1
188.29488	0.6
204.88159	0.5
228.64391	0.6
271.06042	1.2
302.68607	0.5
425.34924	0.7
469.33206	2.3
485.30194	0.5
631.38416	2.9
647.37866	5.2
648.38220	0.9
656.62860	0.6
761.40948	1.1
779.42017	100.0
780.42267	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03452	4.7
57.42176	0.6
59.01379	14.3
60.99290	0.8
61.98817	1.6
62.07375	0.7
69.03401	0.8
70.28496	0.6
70.75733	1.7
71.01366	5.4
72.99303	87.1
73.02923	1.1
73.99633	0.8
75.00867	88.9
76.01176	0.7
83.01355	1.2
85.02946	19.3
87.00845	1.2
95.01378	3.1
97.02956	0.8
99.00892	3.8
101.02454	1.3
103.00365	50.5
103.03989	3.7
104.00681	0.8
104.03613	0.7
112.01643	0.9
113.02444	10.7
115.00339	0.9
117.01949	1.1
119.05000	1.4
124.20319	0.7
130.99855	48.6
132.00154	1.5
136.77310	0.8
151.00397	1.5
157.01434	1.2
175.02428	0.7
194.91791	0.7
234.05583	0.8
271.06140	2.9
397.13284	1.7
407.32880	1.0
554.92712	0.9
631.38257	2.2
647.37988	44.8
648.38409	8.4
661.50604	0.8
693.50867	0.9
761.41119	2.1
779.38422	100.0
780.38782	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03440	2.1
59.01373	2.5
59.71970	0.6
66.37919	0.7
66.58477	0.6
69.29387	0.6
71.01367	4.5
72.99306	94.6
73.99652	0.7
75.00870	72.2
76.01208	0.7
77.26371	0.6
83.01385	1.0
85.02946	14.1
85.54173	0.6
87.00873	1.5
87.22413	0.7
95.01381	1.6
98.20650	1.5
99.00883	3.5
103.00361	29.7
104.51015	0.6
111.00840	1.4
112.01661	1.5
113.02441	8.9
116.09834	0.7
128.72160	0.6
129.01958	1.0
130.99857	63.3
131.59987	0.6
132.00166	1.4
154.92662	0.7
157.01414	1.1
200.88127	0.6
250.99274	0.7
407.33429	1.0
434.97064	0.7
471.34619	6.1
472.35089	1.4
525.35675	1.2
571.36353	2.8
606.56970	0.7
647.37982	37.7
648.38275	8.9
735.40070	0.9
779.38550	100.0
780.38922	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	777.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03442	2.2
58.00572	0.6
59.01374	12.8
61.98811	0.7
67.01886	1.8
68.99826	1.2
69.03434	0.3
71.01379	13.4
71.61829	0.3
72.99302	4.4
73.02930	1.0
75.00870	6.3
83.01382	3.4
85.02947	11.4
87.00865	1.0
89.02439	7.1
95.00788	0.4
95.01379	5.5
96.96001	2.4
97.02954	1.7
98.95569	1.0
99.00873	5.5
101.02443	1.3
111.00128	0.4
111.00875	4.9
112.01677	0.8
113.02444	8.6
115.00357	0.3
116.83971	0.3
128.09921	0.2
129.01949	1.1
130.99840	0.6
131.03477	0.9
139.00366	3.4
157.01402	1.1
191.05602	0.3
329.13083	0.3
451.32169	0.7
467.31577	2.1
468.31598	0.5
469.33115	7.2
470.33273	1.1
497.32623	2.1
498.32965	0.4
525.32025	0.9
537.35577	0.3
551.33783	1.2
564.33356	0.3
565.35266	3.8
566.35431	0.6
583.36285	2.6
584.36761	0.7
585.34485	0.4
617.36670	0.4
645.36292	0.5
733.38159	0.6
777.40558	100.0
778.40894	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	779.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03437	3.6
58.00591	1.5
59.01373	49.4
61.98820	1.3
63.99547	0.9
69.03442	2.0
69.42857	4.5
69.43285	2.2
71.01376	48.6
72.99304	6.3
73.02940	13.5
75.00859	2.9
79.95734	0.9
83.01377	4.8
85.02949	18.0
87.00864	7.0
89.02437	28.8
94.36724	0.9
95.01398	3.3
96.95994	6.0
97.02930	4.8
98.20612	2.2
99.00874	16.7
101.02441	23.5
108.02155	1.2
111.00874	2.2
112.01634	0.9
113.02440	17.5
115.04008	1.5
117.37626	0.9
119.03491	5.7
123.04533	1.1
124.01632	2.6
125.02464	5.7
129.01913	2.1
131.03502	2.5
135.04443	0.8
138.96977	0.9
143.03487	2.3
146.03644	1.3
146.93155	0.9
149.04544	3.6
150.03174	2.1
151.04028	2.2
161.02296	0.8
161.04533	3.1
165.05614	1.8
170.57240	0.9
179.05644	1.3
191.05544	1.8
195.06593	1.7
233.06679	2.1
247.12146	1.0
282.60770	1.0
502.13434	1.1
513.27094	1.9
531.28070	2.3
543.28229	1.9
561.28986	3.8
675.32202	100.0
676.32617	20.6
693.21313	2.0
693.33307	38.9
694.33838	7.2
735.34314	22.4
736.35272	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	777.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03450	1.6
58.00586	0.5
59.01374	15.4
61.98836	0.4
67.01880	1.2
68.99811	0.7
69.03427	0.3
70.19276	0.9
71.00982	0.7
71.01379	13.1
72.99307	6.4
73.02928	0.7
75.00868	5.6
83.01382	3.3
85.02946	9.3
87.00861	1.7
89.02438	8.4
95.01380	4.3
96.96009	1.6
97.02940	2.6
99.00870	4.2
101.02409	1.6
101.90221	0.3
103.00357	0.5
109.02984	0.4
111.00874	5.8
112.01685	0.7
113.02440	7.9
114.02773	0.4
116.98292	0.4
129.01932	0.8
130.23341	0.3
130.99910	1.4
131.03516	1.8
131.24884	0.4
139.00380	2.3
157.01387	0.6
174.84801	0.3
389.88000	0.3
421.15076	0.3
426.33578	0.3
451.32190	0.8
455.35641	0.4
465.93704	0.3
467.31674	1.8
469.33145	4.9
470.33646	0.8
485.32797	0.5
497.32758	3.1
498.33020	0.5
525.32147	0.9
529.16907	0.3
537.36395	0.3
551.33630	1.0
552.33905	0.4
563.33435	0.6
565.35321	4.2
566.35992	0.9
583.35999	1.5
584.37067	0.6
615.38879	2.6
616.39331	0.5
645.36462	0.7
705.38342	0.4
715.40051	0.4
733.38037	5.5
734.38129	1.3
777.40558	100.0
778.40887	24.2
803.21558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60768	0.1
69.33363	1.1
72.99294	0.2
75.00882	0.3
75.58865	0.1
76.05223	0.1
76.60978	0.2
78.95895	2.3
79.95728	3.4
94.92484	0.2
96.92210	0.7
96.96002	100.0
96.96877	2.6
97.95914	0.3
106.12109	0.1
130.99838	0.2
165.21698	0.1
271.88696	0.1
277.21646	0.2
280.25998	0.1
282.16614	0.1
336.96835	0.1
345.49139	0.1
453.09036	0.3
602.80664	0.1
717.33661	0.2
777.38855	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03443	4.0
59.01369	3.0
67.01891	0.9
69.27316	7.0
70.33805	0.7
71.01375	5.7
72.99304	100.0
73.99644	1.0
75.00869	82.0
76.01223	0.7
80.69854	0.7
83.01382	2.5
85.02945	18.7
87.00867	2.1
89.02471	1.0
95.01383	2.0
96.20792	0.8
96.96011	1.3
99.00858	4.5
103.00368	27.8
104.00617	1.0
111.00842	1.3
112.01668	1.1
113.02438	12.1
116.01098	0.9
116.98295	9.8
126.37487	0.7
130.99855	61.9
132.00204	1.2
157.01352	0.9
183.87308	0.7
263.04022	0.7
276.76135	0.8
307.02875	0.9
463.39310	0.9
469.33255	5.8
523.34381	1.0
569.34668	2.6
613.37732	0.8
617.37036	4.5
645.36365	39.8
646.36780	8.6
675.37482	1.6
706.64838	0.8
733.38184	4.7
734.37823	0.9
777.37054	99.5
778.37604	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	777.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01369	2.3
61.98820	1.3
71.01365	4.3
71.61768	2.4
72.99303	100.0
75.00869	86.2
85.02946	11.7
86.67712	1.4
87.00838	2.3
95.01373	2.3
96.95985	3.2
99.00883	3.2
103.00368	30.9
113.02454	7.7
115.00348	2.5
116.98282	2.3
124.98666	1.3
130.99857	72.5
155.58369	1.3
188.58315	1.4
239.30283	1.3
275.79156	1.4
320.02216	1.5
423.32608	4.0
454.23975	1.7
470.33368	1.6
494.92056	1.4
529.39990	1.4
613.37207	2.1
617.36517	4.6
645.36328	18.3
646.36737	5.7
675.36859	2.9
733.38196	5.0
777.37000	89.4
778.37439	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	775.342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11090	0.1
58.89461	0.1
61.81606	0.1
61.98819	0.1
71.01364	0.1
75.00864	0.1
78.95900	2.5
79.95735	4.0
86.07075	0.1
94.92509	0.2
96.82557	0.1
96.92218	0.4
96.96007	100.0
96.96882	2.7
97.95927	0.4
98.20678	0.1
139.12170	0.1
152.12796	0.1
217.83856	0.1
229.63156	0.1
321.26819	0.1
399.52402	0.1
409.18875	0.1
435.08362	0.1
453.09222	0.2
651.70825	0.1
677.10480	0.1
715.32501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01339	0.1
60.72991	0.1
68.69715	0.1
69.26547	0.7
78.95896	1.7
79.95731	3.5
88.98792	0.3
88.99321	0.1
96.96003	100.0
97.95959	0.4
111.00909	0.1
134.03699	0.1
151.04022	0.1
157.09828	0.1
165.01923	0.1
165.05429	0.1
180.04265	0.1
191.66521	0.1
193.05118	0.1
195.06656	0.1
204.90820	0.1
247.40756	0.1
281.54111	0.1
336.54678	0.1
407.13339	0.1
416.37054	0.1
441.12741	0.1
441.62915	0.1
442.12961	0.1
488.20435	0.1
534.93085	0.1
703.12970	0.1
775.30597	0.1
775.47101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
57.03446	5.6
59.01378	4.1
67.01900	0.7
68.99815	2.1
69.03448	2.1
69.68526	3.2
71.01373	8.6
72.99304	3.4
83.01383	2.3
84.02165	1.5
85.02428	1.2
85.02946	22.1
86.03305	0.6
87.00874	7.4
87.04495	1.2
89.02435	1.4
95.04999	0.5
96.96003	2.4
97.02954	4.7
99.00888	4.4
101.02434	0.8
110.02435	0.9
111.00875	3.6
113.02461	1.2
115.04019	2.3
123.03261	21.2
123.04519	22.9
124.04853	2.4
124.55722	0.6
129.01930	21.6
135.04547	1.0
136.04042	0.6
138.05600	90.0
139.05992	3.0
141.01958	1.7
149.09723	0.7
153.05569	35.0
154.05910	4.5
159.02989	4.0
164.03539	1.7
182.04622	0.7
191.05611	7.7
192.32198	0.6
199.88007	0.6
209.06654	100.0
210.07021	4.7
250.10785	0.9
293.12338	0.8
349.06039	2.2
357.11826	7.3
358.12186	2.1
373.15146	1.1
374.10883	94.6
375.11160	9.3
389.85568	0.6
485.65735	0.6
681.27460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
69.60146	5.5
71.01380	3.6
79.95264	1.4
79.95731	22.2
79.96456	0.8
80.96515	3.2
81.95294	2.2
85.02923	1.4
87.00877	1.0
87.78310	0.7
89.02435	2.7
92.74273	0.8
93.03449	3.0
95.01369	0.9
95.95206	0.9
96.96002	24.1
98.95595	1.8
99.00854	1.0
100.12996	0.8
101.02423	1.1
105.03386	0.7
107.05096	0.7
109.02930	3.5
111.00873	2.8
113.02493	0.9
116.86736	0.7
119.03536	1.1
121.02958	5.0
122.03732	14.1
123.00843	1.8
123.04478	1.4
124.01620	1.4
129.01941	1.8
132.21785	0.8
133.02951	2.0
134.03716	2.8
135.04462	0.9
136.01666	1.6
137.02437	15.0
138.03183	1.0
138.97096	0.8
147.04492	1.2
149.02435	24.5
149.05988	1.7
150.03215	94.9
151.00348	10.9
151.03899	5.3
152.04736	3.5
153.05533	1.1
159.04460	1.7
161.02469	1.4
162.03201	2.1
163.04019	1.0
164.04794	6.6
165.01877	3.2
165.05551	100.0
166.02699	34.2
166.05765	4.1
167.03317	2.3
168.26242	0.8
175.03969	2.8
177.01878	2.5
177.05524	1.8
178.02708	1.0
179.03502	1.8
179.05585	0.9
179.07083	1.8
180.04256	8.0
181.05045	40.4
182.05353	2.8
184.03674	1.7
187.03957	2.9
190.06197	1.4
191.03384	1.1
193.04985	3.3
195.06604	61.4
196.06915	3.3
202.06306	1.0
205.05077	7.1
206.05811	1.0
207.06575	1.7
210.99146	1.0
219.06538	1.1
220.07350	6.4
225.07693	1.6
235.09515	1.1
238.98604	2.7
241.00188	1.8
256.99734	5.9
269.97940	0.8
282.05322	1.1
313.07959	0.9
315.08588	1.9
329.10266	1.9
359.11609	0.9
360.09863	40.4
360.60034	14.9
361.09979	8.1
361.60065	1.4
369.13205	1.7
372.12161	1.7
386.13440	1.7
387.09912	5.3
387.15253	6.0
402.13336	4.0
403.13770	1.8
415.13489	1.7
416.14819	2.1
417.15482	56.5
418.15854	7.5
463.19980	3.6
464.20065	1.7
479.19113	1.1
510.45438	1.0
520.17297	1.3
535.16132	2.2
550.18567	1.9
565.20734	66.3
566.21021	11.5
583.21558	2.5
595.21277	2.3
613.22833	51.1
614.23077	12.6
637.11731	0.8
655.53058	0.9
775.29761	5.1
781.22003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69318	0.1
57.03440	0.1
71.01376	0.2
75.00869	0.5
78.95896	0.5
79.95735	3.6
85.02936	0.4
96.96006	100.0
97.95946	0.3
113.02438	0.2
113.63470	0.1
114.93413	0.1
138.54308	0.1
221.26765	0.1
239.08441	0.1
391.16867	0.1
412.84177	0.1
499.34250	0.1
675.37555	1.7
676.37018	0.4
773.37042	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	3.9
61.98825	2.2
65.00347	1.1
71.00385	3.1
71.01366	5.0
72.42771	1.1
72.99293	1.4
79.95734	34.5
80.96512	5.4
81.95296	4.1
83.01383	1.8
85.02930	3.4
85.56451	1.1
87.00870	3.2
89.02439	2.9
93.03435	3.7
95.01375	1.6
96.95998	41.8
98.95583	4.0
98.96397	1.1
99.00852	2.6
101.02454	2.4
107.75587	1.1
108.02134	1.4
109.02947	4.3
111.00871	4.5
113.02442	2.5
119.03467	1.0
121.02950	5.3
122.03727	10.9
123.00906	1.9
123.04498	1.2
129.01953	3.1
132.02214	1.5
134.03705	4.8
135.04503	1.9
136.01637	3.3
136.61917	1.2
137.02435	16.5
138.97066	2.7
149.02426	24.8
150.03214	85.4
151.00394	10.0
151.03848	5.5
152.04729	4.7
153.01836	1.4
159.02989	1.3
161.02347	1.6
162.03236	1.6
163.04010	1.3
164.04768	7.5
165.01854	3.2
165.05554	100.0
166.02695	31.1
166.05885	4.7
167.03387	4.3
175.04022	3.4
177.01860	2.5
177.05496	2.6
179.03546	1.7
179.07120	1.8
180.04257	6.9
181.05045	36.1
182.05249	2.2
187.03952	3.5
193.05086	6.5
195.06607	62.5
196.06937	3.0
205.05023	6.5
206.05629	1.9
207.06569	1.0
209.06586	1.4
220.07440	6.3
238.98608	4.0
241.00168	3.6
256.99777	9.8
258.99326	1.7
259.07053	1.4
271.07260	1.4
282.05127	1.2
313.08237	4.0
314.07956	1.4
315.08780	1.8
329.10397	1.6
339.08603	1.3
360.09872	53.0
360.60034	16.0
361.09970	8.3
367.10437	1.9
371.11572	1.5
372.11942	2.3
385.11209	1.4
386.13712	2.0
387.10663	5.0
387.15179	7.3
402.13055	5.1
403.13882	2.7
416.14584	2.4
417.15497	54.2
418.15884	5.0
463.20074	4.3
465.19763	2.6
479.19452	1.3
535.16119	3.4
565.20709	57.3
566.21143	8.3
583.22052	2.0
595.21735	3.9
596.22144	1.1
597.11823	1.1
613.22858	46.8
614.23474	8.4
743.19989	3.2
744.19086	1.3
775.29333	14.3
776.29028	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03407	1.0
59.01362	4.5
68.71461	0.9
70.36729	0.8
71.01379	4.4
72.99276	1.2
73.02933	1.0
79.95732	52.9
80.96511	17.9
83.01376	3.0
85.02931	3.3
87.00878	5.9
89.02412	1.0
94.98069	2.9
95.01384	0.8
95.95210	4.2
96.96004	93.0
97.02927	0.8
99.00863	4.7
101.02436	3.4
111.00871	14.5
113.02430	1.6
115.00348	1.5
120.57526	0.7
120.95974	2.6
127.00343	2.1
129.01918	8.0
134.03748	2.0
138.97066	6.4
154.80594	0.8
154.96556	1.8
159.02983	4.3
166.96515	1.1
180.97990	0.9
192.98094	1.3
193.05025	2.5
208.03848	0.9
210.99161	3.8
238.96620	0.7
238.98636	23.7
241.00220	12.2
256.99704	61.0
257.99945	1.6
275.47147	0.9
329.11368	1.0
361.14987	1.4
367.10400	1.1
441.56827	0.8
461.18271	1.2
463.20023	8.3
622.27832	0.8
741.21454	1.5
773.28955	100.0
774.29352	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76732	0.1
61.98817	0.1
72.18814	0.1
72.60159	0.1
77.78529	0.1
78.95897	2.2
79.95730	4.0
96.34348	0.1
96.96004	100.0
96.96878	2.7
97.95915	0.4
98.19877	0.3
150.07506	0.1
194.99979	0.1
225.20596	0.1
229.22495	0.1
307.89456	0.1
453.09067	0.1
713.30939	0.2
772.62134	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	0.1
71.01366	0.1
71.62324	0.1
78.95895	2.3
79.95734	3.9
94.92489	0.2
96.96004	100.0
97.95936	0.4
210.97128	0.1
277.21777	0.2
341.48792	0.1
397.13690	0.1
453.09259	0.3
480.86136	0.1
713.30640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
57.03447	5.0
59.01374	18.3
68.99793	2.0
69.03455	4.5
71.01375	22.8
71.62745	1.2
71.63150	1.1
72.99309	6.7
73.02940	73.6
75.00842	2.3
79.95732	24.3
80.96507	14.2
83.01368	6.2
85.02947	19.1
87.00868	9.1
87.04494	1.1
89.02422	3.4
90.06519	0.8
94.98073	1.4
95.01369	2.7
95.95213	2.5
96.96001	98.8
97.02942	6.1
98.95551	0.9
99.00878	6.5
99.04462	1.0
101.02428	13.1
103.04002	100.0
104.04332	2.0
111.00238	1.0
111.00878	12.4
113.02435	10.2
115.03979	1.5
117.01902	1.0
119.03491	1.0
120.95989	2.0
129.01930	8.9
134.03683	3.3
138.97061	8.5
141.01898	3.8
150.06836	4.8
153.01866	1.9
155.03467	1.6
159.02928	3.2
161.04559	1.4
163.07556	1.1
173.04456	1.9
173.16626	0.8
177.03996	1.2
179.10744	1.9
180.93832	0.8
191.05569	4.2
193.04982	3.7
202.16118	0.9
210.99155	1.2
235.17007	11.8
236.17351	0.9
238.98668	9.6
241.00233	7.8
251.16504	7.0
256.99695	20.0
257.99994	1.4
259.01321	8.2
260.01624	0.8
299.00711	2.4
327.37106	0.8
395.20743	1.5
400.22314	1.0
404.13766	0.8
413.21777	23.5
414.22202	3.8
455.22668	1.4
523.32611	1.8
529.26636	1.8
555.24365	18.6
556.24585	2.2
605.27911	1.4
647.29144	22.4
648.29614	4.3
691.31744	56.5
692.32111	11.9
727.25159	6.2
727.38971	14.8
728.27246	1.3
728.39630	3.1
771.27203	84.0
772.27637	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	771.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
57.03439	7.3
59.01376	39.9
61.98800	1.4
63.09933	0.9
66.90835	0.9
67.01867	1.4
68.99797	1.9
69.03444	7.0
70.52181	2.6
70.52529	0.8
71.01377	29.9
72.99313	7.0
73.02940	13.8
75.00848	1.6
75.51439	0.8
76.97011	1.2
79.95732	23.6
80.96066	1.0
80.96513	15.0
83.01382	8.3
85.02951	30.7
87.00869	10.4
87.04482	2.8
89.02445	4.2
95.01382	2.2
95.95199	2.3
96.96005	89.6
97.02389	1.1
97.02948	10.8
99.00900	9.9
99.04465	3.7
101.02430	11.2
101.92153	0.9
103.04008	14.3
111.00146	0.9
111.00867	10.4
113.02438	9.1
115.00332	0.9
115.03995	4.4
119.03458	1.4
120.95970	3.5
121.02859	1.1
125.02429	1.7
129.01062	1.4
129.01930	19.6
134.03725	14.0
137.02451	1.9
137.79466	0.9
138.97083	12.0
139.18687	0.8
141.01884	3.9
146.56902	0.9
149.06078	4.1
150.97047	1.4
153.01863	1.4
159.02954	4.8
161.04515	2.0
166.02718	1.1
173.04532	0.8
173.05945	1.6
175.03981	1.3
177.03984	1.0
178.02618	3.6
179.03311	1.4
181.04990	2.8
191.05598	7.7
192.97983	1.0
193.05028	21.8
201.03943	1.7
209.06563	2.3
233.15274	1.1
235.17014	17.1
236.17181	1.4
238.98534	3.5
239.11838	1.0
241.00095	3.6
241.09691	1.7
251.16547	5.3
256.99716	7.6
259.01144	1.8
280.99655	4.1
283.01120	3.8
283.10843	4.6
299.00812	9.4
301.02194	3.6
309.08633	3.0
327.09604	2.3
342.99545	2.6
345.01181	2.9
359.12405	1.1
367.09882	0.9
371.08807	2.9
385.13037	5.5
395.20438	2.3
403.10977	1.8
413.21832	12.6
414.22067	1.0
415.13788	1.8
427.23245	2.0
443.22476	1.9
455.22656	6.4
456.22958	1.0
597.25281	1.4
605.27728	1.9
609.18732	2.4
647.29132	100.0
648.29382	21.5
685.23419	1.0
691.31641	8.0
692.31421	1.3
695.21051	1.5
727.24457	22.8
727.38562	6.4
728.24847	5.4
728.37878	1.8
739.19891	4.9
771.23859	52.9
772.24158	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	771.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.9
57.03453	7.6
59.01092	2.0
59.01376	34.9
68.99809	1.6
69.03450	2.8
71.01376	12.9
72.99321	3.1
73.02937	1.9
74.02433	1.9
78.95892	3.9
81.71614	1.3
82.27560	1.2
83.01377	4.4
85.02941	22.9
87.00870	6.7
87.04494	2.5
89.02446	1.5
96.95999	5.8
96.96945	2.9
97.02935	4.7
97.95703	1.2
99.00869	5.2
101.02431	4.1
111.00834	2.5
113.02425	2.6
115.00414	1.7
115.03987	3.5
117.03448	2.7
121.03004	1.2
126.72074	1.3
128.20673	1.3
129.01942	21.9
134.03737	48.7
135.04431	1.9
135.91447	1.2
137.02448	1.7
141.01913	1.9
142.70271	1.3
147.23318	1.3
149.06049	7.3
158.30406	1.3
159.02975	3.6
160.01671	1.6
161.02426	1.4
161.04626	1.7
175.02432	4.6
175.03940	2.9
178.02728	2.1
184.43849	1.3
191.05640	8.5
191.07054	1.6
193.05052	42.8
194.05344	2.0
209.06650	54.5
245.09233	4.0
267.06686	1.4
269.10327	2.5
271.02380	2.7
280.18634	1.6
300.02679	4.7
301.03403	1.4
311.11319	2.1
332.94675	1.3
334.10251	1.3
385.11359	100.0
386.11859	9.8
387.10684	5.2
563.18866	1.4
579.17169	1.8
771.22552	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	771.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
57.03447	7.5
59.01375	34.0
61.98823	1.2
67.01853	1.0
68.99789	3.3
69.03458	5.8
69.68941	6.5
71.01375	23.5
72.99303	7.8
73.02592	1.3
73.02943	15.9
75.00849	2.2
79.95727	22.5
80.96509	16.1
82.91364	1.0
83.01374	6.5
85.02943	32.8
86.03277	1.0
87.00871	8.2
87.04479	2.6
89.02404	2.9
95.01331	2.1
95.95182	3.2
96.96003	86.2
97.02953	13.1
98.20594	1.7
98.95547	1.2
99.00885	9.7
99.04487	2.3
101.02441	8.5
103.00298	1.3
103.03999	18.1
108.58788	0.9
111.00861	10.0
113.02429	8.7
115.03967	4.1
119.03486	1.2
120.95979	3.9
123.00800	1.1
129.01073	1.1
129.01924	13.2
134.03687	2.4
138.97057	9.2
141.01883	4.3
150.06799	3.2
150.97025	1.5
154.96484	1.1
159.02905	3.5
161.05865	1.0
163.07587	2.2
164.08382	1.3
179.10674	2.3
191.05600	7.7
193.04874	2.2
201.03909	1.6
209.06502	1.5
233.15364	1.1
235.17052	15.3
236.17119	1.1
238.98483	3.6
241.00069	3.6
251.16547	6.0
255.47534	1.0
256.99661	7.8
259.01163	1.4
280.99634	5.2
283.01031	3.7
299.00717	7.7
301.02060	3.2
313.17767	1.0
342.99606	2.3
345.00955	2.4
395.20425	2.8
403.11371	1.1
413.21741	12.9
414.22000	1.9
427.23019	2.0
431.27835	1.5
443.22470	2.0
448.27725	1.4
455.22812	6.7
555.23938	3.0
597.24908	1.7
605.28149	1.9
608.90784	1.2
647.29114	100.0
648.29614	16.9
691.31586	10.6
692.32153	2.0
727.24341	23.7
727.38507	15.6
728.24402	4.4
728.38104	1.6
771.23969	55.3
772.24146	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	771.1983
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01373	0.8
61.03130	0.4
63.02404	0.7
65.00330	1.3
69.66711	2.5
71.01396	0.5
83.01389	0.7
90.77821	0.4
96.95999	0.9
97.17110	0.4
98.20680	0.4
99.00982	0.4
105.14316	0.3
106.31633	0.3
106.63065	0.3
107.01402	2.1
108.02188	0.5
109.02953	1.4
115.00353	0.4
121.02968	1.3
123.04562	2.1
124.04794	0.4
125.02381	0.4
133.02957	0.9
137.02390	0.6
147.00912	0.5
149.02379	0.5
151.00377	9.0
153.05574	3.9
154.05896	0.7
163.00352	0.8
165.01967	0.7
171.04475	0.5
175.00323	1.0
175.04039	0.7
178.99826	2.7
183.04547	0.4
187.04019	0.6
189.01990	0.4
197.02274	0.4
199.04002	3.0
201.01906	1.1
203.03447	0.4
211.03970	0.7
215.03491	1.8
226.02652	0.7
227.03496	2.8
229.04912	0.5
243.02934	6.5
244.03516	0.6
245.04480	0.4
254.02130	0.6
255.00479	0.6
255.02995	8.2
256.03403	0.7
271.02454	71.3
272.02866	5.9
273.03949	0.5
274.26956	0.4
299.01953	100.0
300.02673	48.7
301.03473	33.6
302.03955	2.3
313.03503	0.5
342.03833	0.6
343.04553	1.6
462.08032	14.1
463.08667	4.7
609.14539	41.0
610.14777	6.4
771.19836	69.8
772.20154	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	771.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	7.1
59.01369	2.6
67.01862	0.9
68.99807	2.0
69.03449	3.4
71.01385	6.9
71.58469	1.7
72.99303	3.2
83.01407	2.6
85.02945	22.1
86.09496	0.9
87.00869	6.8
87.04523	2.3
89.03970	1.0
97.02939	5.4
99.00871	5.2
111.00873	3.0
111.33143	0.9
113.02485	2.1
115.03999	3.4
117.03460	4.9
129.01923	18.4
134.03729	54.3
135.04044	1.7
140.97417	1.0
141.01945	3.1
149.06007	6.1
159.03035	4.6
161.02402	1.0
175.03975	1.9
191.05617	8.4
193.05038	46.0
194.05412	2.2
209.06651	41.6
210.06993	1.7
271.02368	1.2
304.81262	1.1
374.27988	0.9
385.11380	100.0
386.11768	12.0
466.17047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1983
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01368	2.1
63.02407	0.5
65.00315	1.8
65.71612	0.6
69.68710	3.4
71.01382	1.0
73.04124	0.4
81.21960	0.5
83.01391	1.1
85.02938	0.4
89.02435	0.6
93.03465	1.3
107.01386	2.7
108.02188	2.0
109.02966	0.9
121.02915	1.5
128.68747	0.5
133.06927	0.7
135.00865	0.8
135.04518	26.3
136.04834	0.7
148.01680	1.7
151.00354	9.9
163.00386	1.1
178.99854	6.2
187.03900	0.5
199.03944	0.9
208.20874	0.5
211.03922	0.7
226.02716	1.1
227.03510	3.0
243.02943	11.9
244.03375	1.1
254.02173	2.3
255.02951	27.3
256.03290	2.1
271.02438	61.0
272.02911	6.2
273.03851	1.0
285.03955	0.5
299.01944	3.8
300.02716	100.0
301.03342	19.6
302.03864	0.9
383.13724	1.0
387.16629	4.8
388.17117	0.9
444.47165	0.5
674.93835	0.5
771.19843	58.9
772.20227	13.2
772.34467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.3
60.77996	0.2
60.99303	15.0
69.26080	1.5
71.01374	0.7
72.99311	0.3
73.02936	0.8
75.00882	0.2
77.25342	0.1
79.95734	0.3
80.96491	0.2
85.02953	0.5
87.00876	0.7
88.00401	1.1
88.98801	100.0
89.02433	4.1
89.99126	1.0
96.96010	1.6
98.19756	0.2
98.95592	0.4
99.00906	0.2
99.43710	0.2
101.02445	0.4
113.02463	0.6
129.01955	0.2
134.03746	0.4
135.04544	0.3
138.97018	0.2
161.02353	0.2
161.04514	0.2
193.05057	0.3
241.00249	0.2
249.05994	0.2
313.83835	0.2
324.76871	0.2
360.09833	0.4
367.10471	0.2
515.12573	0.2
677.49939	0.7
678.50275	0.3
723.30402	0.9
724.31708	0.2
733.91571	0.2
767.36273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71949	0.2
55.01876	0.9
57.03450	2.9
58.00591	0.6
59.01374	13.1
59.39756	0.3
63.58484	0.3
67.01868	0.6
67.14714	0.2
68.99828	0.7
69.03449	0.7
69.79243	0.3
71.01378	19.9
72.01712	0.3
72.99300	6.4
72.99670	0.5
73.02946	2.7
75.00868	15.0
83.01386	1.8
84.02155	0.5
85.02946	21.6
86.03293	0.3
87.00871	6.6
89.02428	3.1
95.01378	4.7
96.95992	1.4
99.00871	9.5
99.04507	0.5
100.01208	0.3
101.02445	3.2
103.00363	1.5
106.71227	0.2
111.00861	0.7
113.02441	16.4
114.02816	0.4
115.00349	1.4
117.01928	1.9
121.02947	59.3
122.03286	2.1
129.01886	1.4
131.03445	0.4
133.01433	0.3
135.04494	0.4
157.01385	1.1
161.04367	0.3
175.02513	2.2
193.03548	0.8
210.86952	0.2
213.14888	0.9
231.05051	0.3
233.15364	0.3
235.16978	3.3
236.17366	0.4
249.06161	0.7
251.16467	1.3
275.58066	0.3
353.08707	0.7
371.09882	0.8
388.58969	0.3
413.21854	1.7
414.22009	0.3
589.26459	3.1
590.27045	0.7
645.27209	0.5
749.30481	0.8
767.31219	100.0
768.31525	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67791	0.3
57.07545	0.4
59.01359	0.9
60.99303	18.7
61.98819	1.0
70.09695	1.4
71.01387	0.5
73.12061	0.3
73.57853	0.3
74.56569	0.4
87.00873	2.8
88.00397	4.9
88.98801	100.0
89.02438	25.7
89.99126	0.7
90.02720	0.5
101.02456	0.4
179.76291	0.4
279.23267	1.1
280.23645	0.4
397.13483	2.5
415.14447	0.5
452.84076	0.4
497.54218	0.4
650.04407	0.4
767.46173	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.00586	1.1
58.02954	1.0
59.01375	32.4
60.80825	0.7
69.37599	0.6
69.59243	2.6
69.59658	2.3
71.01377	22.3
72.99303	1.9
73.02928	2.0
74.02462	5.2
83.01410	1.6
85.02947	4.3
85.41064	0.7
86.90128	0.6
87.00872	1.2
88.46234	0.6
88.67324	0.7
89.02438	23.1
95.01407	1.1
96.95989	3.8
97.02908	0.9
98.02501	1.3
98.19804	1.2
101.02430	10.5
107.03429	0.7
108.02177	2.9
110.12473	0.6
113.02446	9.2
116.03562	0.7
116.05055	1.8
119.03491	7.9
121.02918	3.6
122.03713	1.7
123.04522	2.5
131.03494	1.0
134.03723	1.2
136.01648	49.5
137.02094	2.3
143.03513	4.0
149.04564	1.7
149.06076	0.7
150.03291	0.8
151.03993	89.7
152.04327	2.9
160.05251	1.8
161.04529	6.3
162.03203	1.2
163.03975	1.1
175.03976	1.2
175.07588	1.5
177.05618	0.8
179.03403	0.8
179.03992	1.1
179.05585	13.6
188.04868	1.0
203.06779	1.3
203.08275	3.3
221.06660	1.4
245.09248	12.2
246.09633	1.7
263.06952	1.0
279.06607	1.8
294.08798	1.1
306.08432	0.7
309.11221	4.3
339.12308	9.8
340.12726	0.9
342.10947	4.1
343.11588	1.0
357.13376	100.0
358.13702	11.7
432.19516	0.8
489.17789	3.1
501.17609	12.1
502.17905	2.0
519.18646	2.6
543.18597	4.9
544.18878	1.1
561.19958	1.9
767.22235	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
57.03441	1.8
58.00584	0.7
59.01376	11.6
60.30717	0.4
67.01876	1.2
68.99812	0.9
71.01381	10.9
72.99317	2.2
73.02951	0.8
75.00871	3.6
83.01369	2.0
83.94073	0.4
85.02949	7.8
86.77170	0.4
87.00860	0.8
87.75213	0.5
89.02435	5.4
93.10765	0.4
95.01390	4.8
97.02958	0.9
98.20639	0.9
99.00864	3.8
101.02451	0.6
111.00873	4.7
113.02441	7.2
121.90195	0.4
129.01907	0.6
131.03491	0.7
138.75505	0.4
139.00365	2.6
157.01353	0.4
229.35864	0.4
266.06329	0.4
290.73730	0.4
309.19571	0.4
432.97391	0.4
453.33511	2.0
454.34354	0.5
455.35236	4.2
456.35651	0.8
483.34692	2.0
511.34137	0.6
511.52142	0.4
537.35901	0.9
551.37341	2.7
552.37933	0.5
569.38324	2.1
570.38666	0.5
604.68628	0.4
611.50989	0.4
622.01337	0.4
631.38318	0.7
763.42657	100.0
764.42981	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	765.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.99303	17.1
61.98819	0.3
67.41045	0.2
70.05161	0.2
71.01379	1.3
72.99302	0.6
75.00869	0.8
83.01391	0.3
85.02956	1.0
87.00860	2.2
88.00402	2.3
88.01212	0.4
88.98803	100.0
89.02435	16.9
89.99161	0.9
90.02763	0.3
95.01364	0.4
99.00902	0.3
101.02435	0.3
111.00878	0.4
113.02451	0.9
113.03133	0.2
120.24554	0.2
129.67088	0.2
133.43376	0.2
139.00381	0.3
140.20955	0.2
142.01204	0.2
176.85780	0.2
247.34998	0.2
277.21759	0.5
397.13351	1.4
398.13864	0.2
415.14511	0.2
450.98071	0.2
456.35446	0.3
553.37744	0.2
764.42981	3.1
765.43268	7.0
766.43866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93518	0.5
54.01599	0.4
60.99305	15.8
66.05202	0.5
71.01378	1.2
71.61829	0.7
72.99304	1.9
75.00859	2.2
85.02956	1.7
88.98804	100.0
89.99178	0.7
95.28773	0.5
96.96031	1.4
104.64778	0.5
107.54122	0.5
110.95798	0.5
113.02473	0.9
120.92641	0.5
130.99832	0.8
185.18710	0.6
221.57457	0.5
337.40912	0.6
365.72198	0.6
472.02579	0.7
639.65454	0.5
675.37360	3.7
765.41107	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24113	0.5
53.89577	0.4
55.01863	1.1
57.03437	2.0
58.00576	0.5
59.01095	0.8
59.01377	14.3
59.84189	0.5
67.01872	1.2
68.99805	1.3
69.03441	0.7
70.36504	1.0
71.01374	12.9
72.01671	0.4
72.99300	3.3
73.02926	0.6
75.00869	4.5
83.01363	2.8
85.02940	9.9
87.00851	0.5
89.02441	7.3
95.01370	4.9
97.02943	5.6
99.00868	5.4
101.02447	0.8
107.69311	0.5
111.00877	5.1
113.02445	7.7
129.01912	0.9
131.03490	0.4
139.00410	2.9
141.04575	0.5
157.01407	0.9
175.02489	0.5
184.44650	0.4
278.53842	0.5
409.34442	0.6
453.33798	1.1
483.34705	0.6
546.11719	0.5
631.38422	0.7
719.42914	0.5
763.42615	100.0
764.42926	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03445	2.0
58.00586	0.6
59.01379	13.7
64.75758	0.3
64.90746	0.3
67.01892	1.8
68.99812	1.1
69.03450	0.4
69.75175	0.3
70.01785	1.1
70.02197	0.6
71.01382	11.5
72.99303	2.7
73.02933	1.0
75.00872	4.9
78.11770	0.5
83.01385	4.0
85.02950	10.3
87.00887	0.4
89.02443	6.2
95.01386	5.4
97.02946	7.3
98.03226	0.3
99.00883	5.4
101.02446	0.9
111.00885	5.4
112.01735	0.3
113.02448	8.2
114.02790	0.4
129.01863	0.8
131.03526	0.7
139.00366	3.9
157.01392	1.2
166.73492	0.4
175.02451	0.3
180.37811	0.4
409.34729	0.7
423.72748	0.3
453.33875	1.1
523.37488	0.6
631.38361	0.8
719.43439	0.7
763.42676	100.0
764.43005	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	763.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13754	0.9
55.01887	1.0
57.03437	1.8
57.34362	0.9
59.01376	14.5
62.56167	1.0
67.01898	1.0
71.01378	11.4
71.62143	0.9
72.99305	15.6
73.02950	1.0
75.00867	14.5
76.95540	0.9
81.03930	0.8
83.01392	3.6
85.02948	13.1
89.02428	6.0
95.01374	6.4
96.96004	4.0
97.02942	1.3
99.00874	4.0
103.00364	2.2
111.00854	5.8
113.02436	10.8
117.25189	0.8
129.01912	1.8
130.99850	6.8
135.37088	0.8
139.00352	2.6
152.99521	1.0
157.01300	1.3
216.31335	1.0
371.67120	0.8
453.33920	2.1
455.35495	6.7
456.35712	1.1
483.34842	1.9
549.34955	1.1
551.37665	3.1
569.38544	1.9
631.38409	3.1
717.16571	1.2
763.42657	100.0
764.43018	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.3
57.03448	3.0
59.01083	0.7
59.01376	6.2
68.99805	0.9
71.01382	7.9
72.99302	66.2
73.02924	0.6
75.00867	56.6
76.01237	0.5
83.01369	2.0
84.63899	0.5
85.02942	15.3
87.00867	6.1
88.00394	1.0
89.02441	2.7
95.01392	3.9
97.02952	1.1
97.76936	0.5
99.00878	3.7
103.00363	18.3
111.00870	2.8
112.01690	0.5
113.02443	11.1
115.00360	0.6
117.01956	0.7
117.09936	0.5
129.01906	1.4
130.99850	41.7
132.00169	1.2
139.00356	1.6
157.01482	0.7
168.59099	0.5
178.23842	0.5
186.64868	0.6
194.24638	0.5
336.91635	0.5
437.34271	0.7
453.33511	2.2
455.35257	6.4
456.35693	0.8
483.34531	1.4
509.36014	0.7
538.36804	0.6
551.37286	1.9
555.36682	1.0
569.38593	1.2
631.38422	26.1
632.38733	5.0
642.43542	0.6
689.75647	0.7
719.39465	0.6
763.40100	100.0
764.40265	26.6
765.26031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00232	0.4
55.01874	0.5
56.23753	0.5
57.03445	2.8
59.01376	4.9
65.72188	0.4
67.01910	0.6
68.99791	0.7
69.03446	0.5
69.81641	0.4
70.46484	1.1
70.46875	0.9
71.01384	5.5
72.99302	72.6
73.02935	0.5
75.00868	60.4
76.01219	0.7
83.01389	2.0
85.02947	14.3
86.33962	0.5
87.00878	0.5
89.02430	2.1
93.63762	0.4
95.01365	3.5
97.02953	1.5
99.00870	4.1
103.00363	23.2
111.00874	1.9
113.02443	8.8
129.01878	1.2
130.99850	47.9
132.00212	0.9
139.00319	0.7
153.57329	0.4
157.01398	1.0
310.02414	0.5
383.87207	0.6
427.03897	0.6
437.34183	0.8
453.33505	1.1
455.35211	5.5
483.34601	1.5
509.36249	1.1
551.37103	1.2
555.36218	0.9
563.40320	0.5
631.38416	28.1
632.38904	5.3
687.37799	0.6
697.27472	0.5
719.39178	1.0
763.39526	100.0
764.39722	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	761.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69949	0.7
57.03445	2.8
59.01375	15.3
67.01861	1.3
67.41356	0.7
68.99802	1.2
70.13956	3.0
71.01383	14.4
72.99305	6.3
73.02947	2.1
75.00877	6.9
83.01377	4.0
85.02948	13.2
87.00871	1.4
89.02448	8.4
93.10476	0.8
95.01375	6.6
96.96008	13.4
96.96970	0.9
98.95577	4.5
98.96444	0.8
99.00884	3.8
100.38890	0.7
101.02408	1.8
111.00867	7.2
113.02452	9.7
129.01964	1.1
130.99872	1.0
139.00320	2.5
157.01437	0.8
219.35489	0.7
256.99820	0.8
330.07825	0.7
451.31851	1.3
491.66708	0.8
521.36487	0.9
579.36646	1.7
650.30847	0.8
691.97058	0.8
761.41107	100.0
762.41406	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.1
61.98834	1.0
62.97499	0.8
69.68073	0.8
71.01382	1.7
72.00897	1.2
78.95885	0.9
79.95731	100.0
80.96511	73.3
85.02936	1.9
88.39078	0.7
89.02451	1.2
94.98062	0.7
96.96002	34.4
98.95593	1.2
101.02443	1.9
113.02489	0.8
115.08757	5.8
118.06609	1.8
121.99165	15.7
125.07141	0.8
138.97055	4.1
139.08699	0.8
147.04442	2.6
149.98557	1.0
150.03163	0.7
163.04047	0.8
164.07130	5.2
167.01309	5.9
175.08694	1.5
184.10913	4.2
190.46915	0.7
198.99083	1.8
206.09654	1.8
207.04424	7.3
213.38118	0.8
221.05969	17.3
232.02539	1.2
232.11086	3.0
241.00008	2.2
259.00864	0.7
267.06345	0.8
287.11835	3.6
293.12668	1.0
311.07504	1.1
335.09949	1.3
342.19391	1.2
411.12448	1.2
425.14053	1.6
497.18326	1.2
598.18884	3.1
645.34052	1.0
719.26654	1.2
763.26324	87.2
764.26849	23.6
775.25165	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.8
61.98825	1.6
68.99813	0.9
69.36983	0.7
69.59355	5.1
71.01379	10.7
72.99304	3.1
73.02951	1.0
75.00874	9.2
75.38702	0.8
78.95911	0.7
83.01385	1.2
85.02948	9.9
87.00875	5.2
89.02459	3.5
93.03458	2.9
95.01371	2.2
96.96011	5.4
99.00880	5.4
101.02431	0.9
107.63393	0.8
108.02172	1.5
111.00829	1.2
113.02445	12.9
117.01952	1.6
119.03525	1.0
121.02945	49.5
122.03301	1.7
129.01909	1.7
134.03728	1.7
137.02426	2.2
138.01933	6.1
139.02296	1.6
139.06596	0.9
146.60132	0.8
153.01855	1.5
153.05495	2.0
164.85962	0.8
175.02522	1.0
175.03954	0.8
192.42081	0.8
227.84645	1.0
231.05052	2.4
249.06119	32.1
250.06467	2.0
305.10587	2.6
324.07236	0.9
353.08505	1.0
371.09778	100.0
372.10059	9.8
373.10400	1.3
387.16779	1.3
432.08707	0.8
463.08844	1.0
467.16223	1.2
759.20062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01317	0.6
57.03428	1.7
58.00570	0.6
59.01379	27.1
61.72207	0.5
67.01881	1.0
68.99796	0.8
69.03437	1.0
71.01376	13.2
71.62334	0.8
72.71833	0.5
72.99303	3.1
73.02560	0.6
73.02936	2.3
75.00872	10.0
75.12973	0.6
79.95726	0.8
81.03450	0.6
83.01364	1.4
85.02945	14.4
86.03221	0.6
87.00867	3.7
89.02445	4.2
90.20759	0.5
90.21358	0.5
93.03418	1.3
95.01375	3.8
96.96004	6.2
99.00871	7.3
99.47934	0.5
100.01217	0.4
101.02443	3.8
101.76460	0.6
102.86773	0.5
103.00370	1.2
109.02908	1.3
111.00875	1.0
111.63495	0.5
111.96869	0.5
113.02451	17.1
115.00340	1.8
117.01924	1.9
121.02948	58.4
122.03265	2.5
129.01903	1.9
137.09789	0.5
157.01326	0.9
162.05542	0.6
175.02486	1.3
189.04024	1.3
231.05092	4.3
241.00261	2.2
249.06131	36.6
250.06436	3.2
251.06567	0.8
256.99582	0.6
258.08707	0.5
371.09790	100.0
372.10141	12.5
373.10345	2.3
389.18137	74.8
390.18469	7.9
525.35455	0.6
622.44812	0.6
761.23041	1.2
761.42847	0.9
780.52258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.1
59.01374	21.1
59.01673	1.1
68.99819	0.8
71.01374	10.4
71.62405	0.9
71.62772	0.6
72.99307	1.5
73.02926	1.6
75.00867	3.5
83.01379	2.3
84.02156	1.4
85.02943	21.7
85.03445	1.3
87.00865	8.2
87.04536	0.6
89.02453	5.2
89.23764	0.6
95.01383	1.5
96.96002	2.4
97.02962	1.4
99.00885	3.6
101.02443	3.8
103.00375	0.6
111.00887	1.9
113.02429	7.0
116.20491	0.7
117.01989	0.7
119.03479	1.1
121.02944	18.9
121.03838	0.9
122.03291	0.7
123.04527	1.0
129.01926	11.7
133.02969	1.5
134.03714	1.7
135.04514	13.6
135.05479	1.2
136.04895	0.5
137.02412	2.7
141.01909	1.3
159.03003	3.6
161.02443	6.0
162.02713	0.7
163.11267	10.3
164.11702	0.7
167.55396	0.6
175.02448	0.8
178.02515	0.7
179.03476	7.6
179.05710	0.7
191.05602	1.1
191.07225	0.7
193.05072	1.9
199.04378	0.8
209.06642	77.1
210.06895	3.3
231.94849	0.8
249.06139	3.1
258.66061	0.6
283.95227	0.6
321.66647	0.6
335.13470	0.6
353.08801	1.3
371.09775	100.0
372.10077	7.8
377.92001	0.7
387.16589	45.3
388.16983	4.6
468.33920	0.6
565.31274	0.6
633.54657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.9
65.03957	3.6
66.82908	0.7
67.01894	2.9
71.01382	4.7
71.62842	1.2
73.02921	0.8
76.38573	0.6
85.02959	2.6
87.00851	1.2
89.02446	3.1
91.01897	2.1
93.03448	53.3
94.03781	2.0
95.01384	0.9
96.95996	3.0
99.00854	0.7
101.02441	3.4
108.02211	1.1
109.02942	49.2
110.03300	1.9
113.01659	0.7
113.02439	2.9
119.03493	1.2
125.02432	2.4
130.77174	0.7
134.03781	0.9
135.00867	14.6
135.04503	1.1
136.01704	0.9
137.02431	85.5
138.02774	3.7
143.03465	1.7
153.01923	100.0
154.02269	4.3
179.03487	3.2
207.99292	0.8
209.06596	1.3
241.11966	2.5
256.99628	0.8
263.05557	1.2
281.06586	4.8
313.09341	1.0
371.09729	1.3
387.16595	1.3
391.09964	0.9
553.15479	6.3
579.13574	0.8
597.14331	5.1
759.19775	59.9
760.19922	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	759.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.4
59.01087	1.6
59.01371	14.6
61.53119	0.8
61.98825	1.1
68.99788	1.5
69.03456	1.2
69.98429	4.4
71.01374	19.4
72.99317	4.6
73.02924	2.9
75.00867	13.2
79.95729	24.2
80.96506	10.9
82.19103	0.8
83.01376	3.8
85.02949	16.3
86.03240	1.0
87.00874	9.5
87.94572	0.9
89.02447	5.3
93.03445	1.5
95.01378	2.5
95.95223	4.3
96.96001	65.8
97.02930	1.5
99.00880	9.3
99.03880	1.9
99.04508	29.5
101.02427	4.5
103.00361	1.8
109.02933	3.9
111.00878	10.5
111.77909	0.9
113.02435	19.6
115.00353	1.8
117.01926	2.1
119.03497	1.7
120.96037	1.6
127.00356	1.4
129.01904	6.7
133.06908	1.0
135.00862	1.3
135.04498	2.1
136.01604	2.1
137.02417	3.2
138.97057	6.4
143.84192	1.0
150.03130	1.5
150.97038	1.0
151.03996	2.2
152.07216	1.0
153.01930	11.3
154.96524	0.9
159.02953	1.9
160.01663	0.9
161.02435	0.9
166.02766	1.7
170.07945	0.9
175.02480	2.1
175.03931	1.6
181.05029	2.5
193.05049	1.4
205.07016	1.5
231.05037	2.0
238.98627	10.2
241.00163	6.5
249.06084	13.5
256.99689	26.8
259.01199	3.8
267.07306	4.3
287.13580	0.9
300.12482	0.9
349.11331	3.7
355.65134	1.1
358.13367	1.0
429.21677	1.5
444.62952	0.9
517.22748	1.5
661.27771	1.1
679.28064	36.8
679.39630	2.0
680.28235	5.7
715.23779	1.1
759.23669	100.0
760.23956	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	757.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03445	1.5
58.00577	0.4
59.01092	0.4
59.01377	7.3
61.98787	0.2
67.01879	1.0
68.99811	0.9
69.03436	0.9
71.01374	8.4
72.99304	2.7
73.02942	1.1
75.00867	9.8
77.03994	0.3
80.77065	0.3
81.03445	0.6
83.01384	0.6
85.02940	10.1
87.00861	3.6
89.02455	2.1
91.03996	0.4
93.03451	1.0
95.01379	2.8
96.96037	0.6
97.02973	0.3
98.20628	0.6
99.00874	5.4
101.02451	0.4
103.00350	1.6
109.02915	0.3
111.00875	0.7
113.02438	12.0
114.02776	0.3
115.00368	1.0
117.01944	1.8
121.02946	51.0
122.03266	1.7
129.01923	1.2
137.02469	0.2
138.01965	0.3
139.00417	0.4
157.01402	0.8
166.15378	0.3
175.02464	1.7
189.04034	1.1
209.06607	0.5
223.39409	0.3
231.05055	3.1
249.06119	33.2
250.06488	2.0
353.08847	0.5
371.09772	100.0
372.10117	9.3
529.73566	0.3
535.18201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36088	1.0
56.70592	1.2
59.01374	3.6
61.98822	2.9
71.01373	3.2
71.62247	1.8
85.02930	3.4
89.72536	1.4
91.49200	1.4
96.96004	7.9
101.02431	1.7
113.02393	1.7
128.95454	1.2
131.03633	1.2
133.02858	1.3
133.67145	1.3
134.03731	1.8
149.06082	3.9
150.06857	25.2
163.07646	15.2
164.08350	4.0
177.09196	1.4
178.09901	1.4
179.10741	8.8
267.68945	1.5
300.78729	1.3
312.32925	1.2
327.25427	3.2
329.23322	4.3
389.29504	1.2
446.34119	2.3
448.31946	4.1
462.33069	6.0
463.34424	6.1
490.32986	6.0
491.33502	4.2
508.33740	6.7
509.34644	15.6
510.35324	3.1
516.43665	1.5
671.39655	2.1
705.60675	1.4
713.41138	100.0
714.29755	1.9
714.41498	25.3
757.30786	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	755.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03451	4.1
58.00577	1.2
59.01377	57.1
67.82211	0.9
68.99805	1.3
69.03446	1.4
71.01378	40.6
71.62673	1.4
72.01745	1.0
72.99310	3.7
73.02943	12.6
75.00872	2.7
83.01377	6.6
85.02947	24.1
87.00865	4.8
89.02448	13.4
94.16783	0.8
94.52645	0.9
95.01381	5.9
96.96002	14.2
97.02935	3.0
99.00864	5.5
101.02439	27.0
107.57877	1.0
111.00874	2.9
113.02440	22.2
117.01943	1.8
117.84438	1.0
119.03510	5.5
119.58006	0.9
124.01611	1.5
125.02451	4.7
129.01909	2.8
134.03722	5.4
137.02440	1.4
138.02008	1.2
143.03482	3.5
146.03745	3.3
159.02997	3.6
161.04556	2.9
161.06035	2.6
164.04768	2.1
175.04042	1.4
179.07109	4.9
191.05554	1.2
193.05075	4.3
209.06627	4.2
299.25809	1.1
345.30020	5.2
353.46423	1.0
385.11246	4.9
386.11832	2.5
387.10959	2.0
424.21204	1.8
424.70856	1.8
484.21274	2.6
484.71347	2.1
485.21637	2.2
489.34048	3.1
507.35480	6.2
615.37402	1.1
651.39545	100.0
652.39893	20.6
669.40594	57.5
670.40991	10.6
711.41718	42.5
712.42145	9.8
755.31458	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	757.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
59.01370	2.8
61.04161	1.0
61.98819	2.3
68.99805	1.5
69.03450	4.8
71.01373	7.3
72.99306	9.2
75.00857	1.3
79.01881	3.3
79.95724	1.3
83.01374	1.5
84.02145	1.3
85.02947	8.5
87.00867	6.8
88.98784	2.6
89.02446	1.7
89.03974	1.0
93.03461	1.7
95.01402	1.7
96.96004	8.0
97.02931	4.7
98.20774	1.7
99.00877	2.7
101.02430	1.2
108.02177	1.3
109.02960	1.1
111.00879	4.2
113.02445	1.8
117.03430	3.6
120.01246	1.4
121.02952	7.1
122.03697	3.7
123.04560	1.6
129.01962	6.3
132.02153	5.2
133.02945	3.2
134.03734	87.7
135.04073	3.7
137.02451	4.8
139.07755	1.0
141.01912	4.2
147.04562	1.6
149.02432	8.9
149.06073	20.1
150.03207	25.2
150.06448	1.0
151.03952	2.8
154.51291	1.1
155.03461	5.5
159.02936	2.1
160.00407	2.0
160.01642	25.6
161.02086	1.5
161.06071	0.9
164.04805	1.5
165.05562	20.4
166.05859	1.0
173.04530	9.8
175.03975	34.0
176.04622	2.4
177.01868	1.6
177.91406	0.9
178.02702	15.1
179.03291	1.2
179.07144	1.1
180.04280	2.0
186.06929	1.3
191.05609	7.5
191.07158	1.8
193.05042	85.5
194.05342	4.3
195.06561	8.3
209.06696	2.3
217.08675	2.4
233.08160	4.8
235.06116	4.7
239.07080	1.2
247.06044	1.6
256.99820	1.5
261.07657	2.4
267.06598	1.0
275.05530	2.5
282.08951	4.8
291.08661	1.2
311.10266	1.1
335.07925	5.8
341.10306	9.8
342.11108	2.6
367.10294	100.0
368.10669	10.4
385.11060	2.3
389.12396	3.6
531.14655	1.4
537.64734	1.2
581.18640	17.1
582.19031	2.9
677.30206	1.3
725.20532	1.1
755.35614	1.2
757.23126	15.3
758.22742	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	755.404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.5
59.01371	1.3
61.98832	0.5
70.89430	1.3
71.01382	3.0
72.99293	1.4
73.02919	0.6
75.00880	0.6
76.97010	0.7
79.95734	59.1
80.96514	15.8
80.96995	0.6
83.01405	0.9
85.02952	1.7
87.00862	3.1
95.95233	3.5
96.96006	66.7
98.11871	0.5
99.00881	0.9
101.02400	0.5
111.00895	4.5
115.00401	0.7
120.96002	5.3
124.89542	0.5
129.01903	0.8
136.95546	0.7
138.97069	6.1
148.95518	0.6
148.99170	1.0
149.83112	0.5
150.97084	1.1
154.96581	1.1
159.02986	0.6
166.96593	0.6
192.98080	2.1
238.98662	2.6
241.00285	0.8
247.93262	0.6
256.99722	2.0
257.84750	0.6
277.21701	25.9
278.22009	3.6
281.24994	0.6
411.54016	0.6
471.20267	1.1
489.42126	0.5
499.19998	1.6
501.21750	1.8
517.13477	0.7
517.21088	13.3
518.21216	1.8
755.40356	100.0
756.40668	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	755.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48872	0.7
59.01365	1.1
69.67386	0.7
70.94656	2.2
71.01366	2.5
76.97036	1.0
78.95911	0.9
79.95730	45.3
80.96508	13.0
85.02952	0.9
87.00853	3.2
95.95217	2.1
96.95998	54.3
101.02393	0.9
103.65231	0.8
111.00877	4.5
120.95988	3.7
129.01878	1.1
137.96207	1.0
138.97054	4.0
154.96516	1.3
192.98180	0.9
198.17128	0.7
238.98645	1.7
255.23090	1.7
256.99643	1.7
277.21692	19.0
278.21933	1.6
350.27206	0.8
364.32034	0.8
499.20001	0.8
501.21622	2.8
517.20947	9.8
518.21655	1.8
755.40338	100.0
756.40649	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	755.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03450	1.6
58.00597	0.8
59.01377	47.5
67.01898	0.5
68.99813	0.6
69.03445	2.9
71.01376	15.0
71.01759	0.8
71.62787	0.8
72.99309	3.8
73.02962	1.2
75.00858	0.5
79.01898	1.4
79.95733	14.9
79.96178	0.9
80.96503	2.7
81.95328	0.5
83.01394	2.9
85.02948	8.6
87.00868	4.3
87.04514	0.6
88.98854	0.5
89.02428	8.6
89.02895	0.5
89.03959	0.7
95.01411	1.6
95.95244	1.3
96.96007	21.6
97.02944	2.6
98.95587	1.5
99.00902	1.8
101.02436	9.2
106.04256	0.7
109.06614	0.8
111.00890	3.5
113.02443	5.9
115.04025	1.1
117.03429	2.4
119.03503	3.8
123.04507	0.7
127.00368	0.7
129.01942	5.3
130.08734	0.8
132.02258	0.9
133.02887	0.6
134.03734	34.2
135.04031	1.1
137.02420	1.2
138.97101	0.9
141.01917	1.0
147.04521	0.6
149.06039	4.0
153.01988	0.7
155.03539	1.3
159.02979	1.7
160.01639	5.4
161.02327	0.6
163.11250	6.4
164.11612	0.5
173.04567	1.4
175.03973	6.7
176.04808	0.8
178.02718	1.1
191.05600	4.8
191.07112	0.8
193.05034	23.9
194.05342	1.2
207.07140	0.6
207.10242	8.3
208.10637	0.6
209.06642	9.9
210.06943	1.0
210.99026	0.6
233.08168	0.9
235.06100	0.7
236.06816	0.5
238.98592	2.6
241.00240	2.4
256.99649	5.5
303.90640	0.5
335.07797	0.9
360.09863	30.1
360.59998	11.4
360.64224	0.9
361.09811	7.8
361.59973	2.8
367.10266	10.5
368.10547	1.4
376.27332	0.5
385.11389	18.3
386.11694	2.0
387.16559	100.0
388.16962	9.6
463.20041	2.3
479.19501	1.1
529.19348	0.9
579.22699	1.8
593.22351	0.7
755.27618	29.8
756.27802	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	755.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97121	0.5
55.01879	0.6
57.03448	2.5
59.01375	55.1
61.98846	1.4
68.99825	0.7
69.03477	1.8
69.28825	1.1
69.29230	4.3
70.23792	0.6
71.01376	14.0
72.99309	5.3
73.02966	1.1
73.36811	0.6
75.00912	0.5
75.16559	0.6
79.01895	2.3
79.95723	7.1
80.96503	1.3
83.01398	2.2
85.02943	10.1
87.00883	3.4
87.04534	0.8
89.02432	9.1
89.04007	0.6
95.01401	0.9
95.20304	0.5
95.95237	2.2
96.95997	12.5
97.02936	3.6
98.20702	0.7
99.00880	2.3
101.02437	7.4
111.00883	2.4
113.02443	4.8
115.03996	1.0
117.03450	2.2
119.03497	3.9
125.02485	0.6
129.01924	5.3
132.02209	0.9
134.03731	35.2
135.04112	1.5
137.02438	0.7
138.97125	0.7
141.01915	1.1
147.04454	0.7
149.06052	3.4
150.97050	1.2
155.03526	2.1
159.02986	1.9
160.01651	6.2
161.04604	0.7
163.11272	7.8
171.52647	0.7
173.04575	2.2
174.22832	0.6
175.03987	7.4
178.02713	1.5
191.05588	4.7
191.07101	0.7
193.05055	24.7
194.05363	1.5
207.10245	8.3
209.06654	10.9
233.08134	0.8
235.06131	1.4
238.98708	1.7
241.00298	0.8
256.99689	3.6
275.05551	0.8
335.07730	1.1
360.09869	25.8
360.60135	2.7
361.09705	1.9
367.10284	10.0
368.10672	0.7
385.11346	18.5
386.11807	2.7
387.16556	100.0
388.16925	10.5
463.20053	2.2
479.19632	1.3
529.19208	1.2
561.21899	0.8
579.23187	2.2
652.32318	0.6
656.62604	0.6
705.23102	0.7
755.27551	38.0
756.27673	9.4
756.39722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34832	0.3
55.01869	0.6
55.08157	0.3
57.03441	4.0
57.45455	0.3
58.00584	0.3
59.01379	2.7
59.59978	0.3
61.98817	0.4
65.69478	0.3
67.01859	0.5
68.99796	1.0
69.03453	2.1
70.01089	1.5
71.01380	5.7
72.99300	2.6
73.02939	0.5
78.58984	0.3
83.01375	1.8
84.02144	0.6
85.02945	15.9
86.03287	0.3
87.00859	4.5
87.04507	1.6
89.02430	0.9
89.03980	0.5
91.01925	0.3
96.95988	2.5
97.02946	4.8
97.86938	0.3
98.19978	0.4
98.95596	0.6
99.00873	2.6
101.02434	1.0
108.02158	3.3
109.02907	0.4
111.00882	2.7
113.02431	1.5
115.04008	1.6
117.03460	2.6
129.01935	12.6
134.03731	39.6
135.04124	1.5
137.02368	0.5
138.01962	31.4
138.93521	0.4
139.02290	0.9
141.01923	1.7
147.24774	0.3
148.05292	0.5
149.06082	3.8
151.02771	0.4
159.02962	2.5
160.01631	1.4
161.02432	0.6
165.01895	0.4
173.04587	0.5
175.03978	2.1
178.02658	0.8
180.02930	0.6
183.02968	0.7
191.05620	5.6
192.05847	0.4
193.05034	31.2
194.05392	1.5
209.06644	31.6
210.07005	1.6
233.08110	0.5
291.08759	0.5
335.07523	0.5
367.10394	1.4
385.11368	100.0
386.11700	10.6
409.11591	0.7
453.10510	0.8
476.12668	0.4
508.31723	0.4
743.93201	0.4
753.36328	0.7
754.18304	1.2
755.18744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
57.03445	4.2
58.00585	1.7
59.01375	64.0
61.98826	4.4
67.46870	0.8
69.03443	1.3
69.68095	1.0
71.01378	43.2
72.01672	1.3
72.99303	3.5
73.02949	11.8
75.00856	2.4
76.50121	0.9
79.95734	2.7
81.03466	1.0
82.95393	2.5
83.01384	7.4
84.95090	1.2
85.02943	23.1
87.00858	4.7
87.04506	1.6
89.02437	13.5
93.03443	1.3
95.01372	5.5
96.95997	17.1
97.02945	2.5
98.95589	1.4
99.00868	5.1
101.02436	26.5
101.17941	0.8
102.02786	1.3
111.00855	3.0
113.02441	23.3
119.03526	4.9
124.01632	1.7
125.02418	4.1
126.40202	0.8
129.01920	1.7
131.03500	1.0
134.03729	4.1
137.02415	2.0
143.03473	2.8
149.02513	1.0
159.02945	2.5
161.04546	4.4
163.04070	0.9
179.05644	0.9
193.05057	2.1
195.84430	1.0
209.06586	3.2
256.99619	1.3
276.31287	0.9
297.23792	0.9
343.28394	6.3
344.28946	1.1
385.11362	4.1
487.32410	4.3
489.16724	1.0
505.33960	6.9
506.34015	1.7
613.34772	1.2
649.37982	100.0
650.38318	19.8
667.39093	59.3
667.48267	1.0
668.39331	11.6
709.40143	32.4
710.40430	6.7
753.36951	3.1
766.02307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03432	0.4
58.00608	1.2
59.01374	100.0
60.01711	1.2
64.96210	0.4
69.03442	1.7
69.25342	4.1
71.01376	47.7
71.56686	0.4
72.01704	0.9
72.99298	5.0
73.02940	47.4
74.03319	1.0
75.00876	0.9
79.95741	0.9
81.03479	0.5
83.01379	13.9
83.01869	0.7
85.02939	11.8
87.00877	2.5
89.02437	17.7
94.16083	0.4
95.01373	3.8
96.95994	5.1
97.02947	1.0
99.00891	1.5
101.02437	44.6
102.02779	0.9
111.00862	0.5
111.08195	0.4
113.02440	34.1
114.02769	1.1
115.77668	0.4
117.53401	0.4
119.03496	10.7
119.04297	0.7
123.08192	0.6
125.02451	1.4
131.03496	5.3
131.04428	0.5
134.03772	0.7
135.04517	0.8
143.03467	7.4
143.04572	0.4
149.02611	0.5
149.04527	8.2
150.03177	0.5
155.03564	1.1
161.04541	20.1
161.85989	0.4
162.04839	0.7
179.03470	0.5
179.03981	0.8
179.05589	7.7
191.05562	0.5
193.05103	0.7
195.06689	0.5
203.05658	1.4
209.06627	0.5
221.06628	4.3
232.41205	0.4
256.99695	0.8
274.43677	0.4
343.19174	0.9
360.09967	1.4
361.20285	1.6
385.11536	0.9
411.13400	0.7
411.63788	0.5
412.14120	2.0
412.64355	0.5
485.29123	2.0
647.34442	5.0
648.35077	1.2
665.35400	4.7
666.36395	1.2
707.36377	10.0
707.47461	0.7
708.36542	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.31380	0.2
61.98827	0.6
71.01382	1.0
72.87715	0.2
72.99298	3.3
73.02918	0.3
75.00869	100.0
76.01204	0.8
81.90459	0.2
84.56244	0.2
85.02958	0.4
89.02461	1.0
101.02448	1.2
113.02438	0.5
119.03510	0.4
125.02430	0.5
130.99838	0.6
161.04489	0.3
179.05673	0.2
192.59547	0.2
232.70436	0.3
235.08267	0.7
253.09453	0.3
277.21732	3.6
278.22083	0.4
287.07858	0.3
397.13470	6.8
398.13846	0.5
413.07260	0.3
415.14456	2.0
456.42303	0.2
751.39380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
57.03446	3.3
58.00591	1.7
59.01375	100.0
59.17279	0.9
61.34684	0.9
68.60061	1.0
69.03460	2.9
70.01287	3.0
71.01378	58.3
72.99300	4.4
73.02942	60.7
75.00870	3.0
77.71072	0.9
79.87441	1.3
79.95737	2.0
83.01388	15.9
85.02946	20.2
87.00874	3.8
89.02440	23.8
95.01385	5.1
96.96004	6.6
97.02937	2.3
99.00874	2.1
101.02435	47.4
103.31697	1.1
109.02856	1.1
113.02438	40.4
119.03482	9.6
121.02908	1.4
125.02386	2.0
129.01933	1.5
131.03484	6.0
134.03741	12.4
136.17821	1.1
143.03516	7.5
149.02498	4.8
149.04530	6.1
149.05998	2.2
155.03493	1.8
160.01645	3.4
161.04544	18.7
164.04762	4.5
173.04610	1.4
175.04019	4.3
179.05603	16.9
179.07039	1.8
185.09756	1.1
191.05634	1.4
193.04991	8.8
208.03741	3.6
221.06573	2.3
223.06046	7.5
231.13824	1.1
249.14951	1.1
251.12851	1.0
255.13820	2.1
273.14966	5.5
280.20938	1.1
301.17990	1.7
319.19043	2.4
329.16571	1.1
360.09900	2.9
367.10226	14.3
368.10974	1.2
369.86444	1.1
373.20190	3.1
385.06726	1.0
385.11270	5.8
391.21249	8.0
469.29507	2.7
487.30606	6.8
505.31543	1.6
591.17609	1.9
649.35852	42.7
650.36218	7.4
667.36475	9.4
668.36694	1.8
709.38000	27.1
710.38464	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	751.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.75182	0.4
57.03438	3.4
59.01375	5.5
61.98806	0.5
67.01898	0.6
68.99801	1.0
69.03440	2.4
71.01376	6.7
72.99304	2.6
73.02943	1.6
79.95731	9.7
80.96503	1.2
81.95309	0.6
83.01377	3.0
84.02139	0.6
85.02944	14.5
87.00866	4.0
87.04521	1.1
89.02431	1.2
89.03958	0.4
93.03444	1.3
95.01373	0.5
96.96000	12.9
97.02948	4.5
98.95580	0.8
99.00875	3.4
99.07823	0.4
101.02422	2.2
110.46290	0.4
111.00883	3.6
113.02459	2.7
115.03999	2.0
117.03444	2.5
119.03551	0.4
123.04485	0.4
127.00349	0.3
129.01932	12.7
134.03728	36.4
135.04541	13.6
136.04907	0.6
137.02438	0.6
138.97023	0.9
141.01949	2.1
143.03429	0.5
149.06071	3.7
150.03215	0.4
159.02974	2.3
160.01668	1.6
161.02411	0.6
161.04494	0.4
173.04568	0.4
175.03952	2.5
178.02737	1.0
179.03465	0.6
179.05724	0.4
191.05594	4.5
193.05031	32.4
194.05405	1.9
209.06639	31.0
210.06966	1.2
218.68834	0.4
238.98584	1.3
241.00218	0.9
256.99710	2.3
284.95239	0.4
360.09866	19.2
360.60001	6.8
361.09793	3.4
361.60193	1.3
362.59946	0.5
367.10202	1.5
385.11356	100.0
386.11673	10.1
453.10297	0.5
463.20154	1.9
464.20392	0.5
532.08673	0.4
553.20782	0.6
641.24304	0.7
647.34656	0.4
675.27081	0.4
751.21375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41315	0.1
59.01366	0.2
60.76197	0.1
69.75602	0.2
69.76015	0.7
71.01340	0.2
72.99303	1.9
75.00868	1.7
78.95901	0.8
79.95738	3.6
82.40261	0.1
85.02944	0.4
96.96005	100.0
97.95952	0.4
103.00350	0.4
113.02485	0.2
130.99870	1.1
134.03661	0.2
183.86726	0.2
201.89246	0.2
217.77448	0.1
509.10559	0.2
619.38678	0.7
632.72870	0.2
654.88702	0.2
673.93823	0.2
751.38757	2.4
752.39673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
59.01376	16.7
61.98813	3.6
65.49059	1.2
69.03439	1.4
70.59335	1.2
71.01377	14.2
71.61869	1.5
72.99304	6.7
73.02946	2.2
75.00864	16.3
83.01373	1.8
85.02954	17.3
87.00865	5.0
87.24112	1.2
89.02451	2.2
94.42333	1.2
95.01371	3.8
96.95988	5.2
99.00872	9.5
101.02435	2.6
103.00375	3.1
104.87556	1.7
113.02464	12.0
117.01933	2.1
121.02943	52.8
122.03239	1.4
130.99895	2.8
235.16940	3.9
251.16559	2.0
284.51025	1.3
529.31604	3.0
589.26221	2.7
733.30151	1.6
751.31622	100.0
752.32141	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4473
Annotation	decarboxy-demycosaminyl-nystatin
Peak:m/z	Relative Intensity
55.01873	0.9
56.82762	0.2
57.03447	2.5
58.00576	0.8
58.25088	0.2
59.01377	14.6
60.34229	0.2
61.98829	0.3
67.01870	1.4
68.99806	0.8
69.03458	0.4
70.75771	0.6
70.76121	0.3
71.01379	15.4
72.65260	0.2
72.99303	4.3
73.02945	1.6
75.00870	5.8
76.92741	0.2
83.01383	4.2
85.02948	11.0
87.00883	0.8
89.02442	9.9
95.01380	4.9
96.24442	0.2
97.02947	1.1
99.00871	4.7
101.02436	1.2
111.00874	8.1
112.01672	0.3
113.02446	7.7
129.01941	1.0
130.99863	0.4
131.03502	0.7
131.10144	0.2
139.00375	3.0
140.35652	0.3
140.36830	0.3
148.16609	0.3
149.04539	0.8
157.01358	1.0
191.05690	0.3
253.23232	0.3
439.35696	1.5
493.22223	0.3
509.39554	0.4
557.37805	0.4
617.40753	0.8
740.90021	0.3
749.44745	100.0
750.45068	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39096	0.9
56.83260	0.9
59.01373	5.3
61.98828	1.7
63.08052	0.9
71.01376	4.4
72.99312	0.9
75.00863	2.4
77.16399	0.9
79.95737	5.5
80.96513	3.7
85.02940	3.9
87.00863	1.9
87.04508	4.1
89.02428	2.1
90.62281	0.9
92.96553	1.1
95.01445	1.3
95.95209	1.6
96.96004	98.8
98.95581	4.9
98.96429	1.5
99.00858	1.7
101.02437	2.2
107.75927	1.0
113.02400	4.5
138.97066	14.0
150.03244	1.3
157.06567	1.0
178.59911	1.0
197.20346	1.0
198.99130	5.6
241.00247	3.2
259.01315	2.8
705.29596	7.2
706.30823	1.9
749.36206	100.0
750.36804	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	749.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.1
60.66047	0.5
61.98836	0.5
62.78120	0.6
64.70460	0.5
71.01376	4.0
71.08231	0.8
72.99310	1.0
73.02948	1.1
75.00871	0.6
75.50335	0.6
79.95732	20.9
80.96516	8.1
83.01375	0.9
85.02937	2.9
87.00871	1.7
96.96003	92.1
98.95587	3.4
99.00872	0.6
101.02432	3.1
113.02427	2.0
121.01885	0.6
125.02405	0.7
138.97052	8.5
160.95236	0.9
166.96600	0.9
200.07626	0.7
236.50755	0.6
241.00214	18.5
242.00459	1.3
259.01135	1.6
280.01743	0.6
313.02484	0.7
342.11395	0.7
516.45416	0.7
569.29529	0.6
623.23840	2.6
624.23151	0.8
663.22803	1.2
705.29675	3.6
749.36163	100.0
750.36523	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	747.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74642	0.5
55.01857	0.9
57.03440	2.3
58.00578	0.6
59.01375	16.5
61.98805	1.3
67.01893	1.9
68.99818	1.4
70.17737	1.5
71.01378	15.9
72.99308	3.6
73.02926	1.5
75.00863	5.4
78.95893	0.9
79.17036	0.4
83.01385	3.2
85.02429	0.7
85.02943	12.9
87.00851	1.1
89.02435	9.3
95.01374	5.7
96.96016	0.6
97.02933	0.9
97.06605	0.6
99.00881	5.2
101.02431	1.6
111.00871	8.1
111.10220	0.4
113.02444	8.7
113.29991	0.4
114.02732	0.4
129.01918	1.3
131.03462	1.2
139.00363	3.6
143.26242	0.4
149.04607	0.4
157.01366	0.6
342.23187	0.4
437.33975	1.4
507.38702	0.6
541.82013	0.4
580.64154	0.4
615.39246	0.7
684.51660	0.5
747.43195	100.0
748.43469	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03438	2.2
59.01375	26.9
60.01716	0.7
63.40828	0.6
67.01892	0.8
68.99815	0.6
69.03458	1.5
71.01379	23.0
71.39373	0.8
71.39706	0.6
72.52294	0.5
72.99301	5.5
73.02933	4.1
75.00867	11.8
79.95724	2.4
80.96500	0.7
82.60296	0.6
83.01365	2.3
85.02946	19.1
86.03288	0.5
87.00868	5.5
89.02430	4.0
95.01382	3.5
96.96008	12.5
97.02943	1.2
98.95544	0.9
99.00877	8.0
101.02438	5.6
103.00376	1.0
110.24648	0.5
111.00861	0.8
113.01683	1.1
113.02443	15.6
115.00377	1.5
117.01923	1.8
129.01949	1.5
138.97015	1.0
143.03450	0.9
144.21855	0.5
161.04485	0.8
175.02483	1.2
189.04019	0.8
198.99086	0.6
233.15450	0.8
235.16986	9.0
236.17323	0.6
241.00174	1.7
249.06122	8.1
251.16446	1.4
267.07068	1.4
295.38107	0.7
379.25928	0.6
395.20560	1.9
413.21848	3.0
414.21622	0.8
455.22952	2.4
485.23804	3.9
623.23590	0.7
663.28357	1.2
687.28522	1.1
705.29669	100.0
706.30035	26.3
706.42584	1.2
749.36005	11.8
750.36090	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	747.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
57.19335	0.4
59.01368	1.7
60.13092	0.4
63.72134	0.4
69.51556	1.8
69.51987	1.3
71.01370	1.9
72.99289	0.5
73.02935	0.4
79.95734	4.9
80.96525	3.3
85.02939	1.2
89.02458	0.4
95.95230	1.5
96.96004	100.0
98.19894	1.0
98.95586	4.3
98.96358	0.6
99.92561	0.4
101.02439	1.0
111.00879	0.4
113.02464	1.0
115.92092	0.7
116.92849	1.7
122.97577	0.7
138.96004	0.9
138.97058	13.4
144.41277	0.5
150.97054	0.8
168.98076	1.2
177.03926	0.7
198.99150	7.1
241.00235	3.9
249.06105	0.5
256.99704	1.3
259.01202	3.8
395.24292	0.5
479.95325	0.4
569.30017	2.1
585.29260	0.5
611.88403	0.5
717.33899	0.6
747.34686	92.3
748.34998	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	745.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
60.47186	0.4
61.98820	1.7
69.82062	1.7
69.82468	0.9
71.01370	2.8
72.45813	0.4
72.99311	1.1
79.95735	10.2
80.96510	2.7
85.02969	0.9
85.92633	0.4
89.02454	1.1
95.95227	10.0
96.96004	84.3
98.19872	0.5
98.95580	0.8
101.02431	1.9
101.76493	0.4
113.02430	0.7
122.97578	1.1
125.21914	0.5
134.00365	0.5
135.04492	0.7
138.97078	2.0
148.39674	0.5
149.02385	0.5
150.03258	1.5
150.97096	2.4
154.62762	0.5
164.98601	0.7
165.05540	1.0
177.01926	0.7
177.03987	0.5
189.05440	0.7
221.37689	0.5
222.98979	0.6
241.00220	3.4
242.00533	0.6
256.99643	1.2
518.18518	1.0
634.47015	0.6
701.25574	0.8
727.24414	0.6
745.31104	100.0
746.31458	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	747.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03445	4.5
59.01366	3.3
64.96072	0.4
65.00324	1.0
67.01883	0.9
68.99811	1.6
69.03448	3.0
71.01373	6.0
72.99297	3.4
75.51131	0.4
83.01386	2.2
85.02942	13.6
85.46898	0.4
87.00874	2.4
87.04508	0.8
89.02446	0.8
91.01885	5.1
95.01379	0.8
95.43464	0.5
96.95980	0.8
97.02949	4.6
99.00888	3.9
106.87119	0.5
108.02117	2.3
109.02941	1.1
111.00872	3.5
113.02437	1.7
115.04005	2.7
123.00876	0.8
123.04509	21.4
124.01697	0.9
124.04840	0.9
129.01936	12.7
130.02313	0.6
137.02415	1.1
141.01938	2.0
150.03160	0.5
151.00301	0.5
152.01151	3.6
153.01907	1.9
159.02945	1.6
160.01651	0.7
163.11292	1.1
163.19351	0.5
167.03474	64.9
167.38481	0.5
168.03815	2.5
174.20624	0.5
175.03993	1.1
178.02715	0.6
191.05592	8.5
193.00932	0.5
193.05069	0.7
206.17059	0.5
209.06621	10.1
235.06134	1.2
327.07556	0.8
348.98264	0.5
359.09787	100.0
360.10126	8.2
387.11707	0.7
387.16620	4.5
663.50012	0.6
699.85565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	8.7
61.98829	2.5
65.78852	0.6
71.01370	6.7
71.39481	1.0
73.02962	0.8
74.64662	0.6
79.95721	3.4
80.96518	1.1
81.95322	0.6
82.85128	0.6
85.02950	2.2
89.02441	6.5
93.03465	3.8
95.01404	1.2
96.96004	11.0
98.19893	0.6
98.95586	0.9
101.02442	3.6
102.90478	0.7
108.02167	1.4
109.02946	1.2
111.00874	0.9
113.02432	3.7
119.03490	2.7
120.01251	5.4
121.02943	11.2
122.03742	16.4
123.00850	1.2
123.04539	1.2
124.01663	1.5
132.02162	1.2
133.02966	2.0
134.03748	1.9
135.04514	8.5
136.01648	20.7
137.02412	3.0
138.97087	0.6
139.03999	1.0
147.04469	1.7
148.01645	0.7
149.02429	29.1
149.06104	1.3
150.03212	97.3
151.00385	6.0
151.03999	26.5
152.01157	1.6
152.04369	0.6
153.01854	0.7
154.02853	0.9
159.04504	0.7
160.05260	0.8
161.04523	0.8
161.06097	0.8
162.03174	1.3
163.03993	3.7
164.04765	8.0
165.05551	100.0
166.02696	14.4
166.04036	1.1
166.05809	5.2
167.03482	2.9
168.04082	0.6
172.05321	1.3
175.03972	5.0
176.04695	1.2
177.01859	0.9
177.05586	1.2
179.03409	0.7
179.05635	1.1
180.04289	6.2
181.05038	18.0
182.05452	1.1
189.05557	3.5
190.06358	7.1
191.03508	0.9
191.06860	0.7
195.06601	64.6
196.06926	3.6
205.05176	0.7
205.08673	0.7
233.07977	0.7
241.00243	0.8
256.99695	2.0
266.05551	1.1
282.05344	1.4
297.07776	1.0
311.09067	0.9
315.08618	1.8
326.11581	0.9
329.10141	2.4
339.08633	1.2
342.10959	1.5
352.04974	0.7
355.11838	0.9
356.12491	2.6
357.09601	5.2
357.13394	10.8
360.09915	2.0
360.59796	1.0
369.13382	3.7
372.12042	3.5
373.12769	1.7
386.13608	2.4
387.14441	49.9
388.14880	6.5
490.16202	1.4
505.18536	3.6
517.18719	0.8
535.19659	62.1
536.20026	13.8
553.20276	2.1
554.20905	1.0
565.20575	2.7
583.21783	51.1
584.22089	10.5
643.66760	0.8
675.26868	0.9
745.19440	1.6
745.31824	6.2
746.32349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.0
58.00583	4.6
59.01376	100.0
61.98826	15.1
67.31332	1.2
70.86707	1.0
71.01379	70.1
71.63428	2.3
72.99311	6.8
73.02959	2.6
75.00867	1.6
79.59636	1.2
79.95736	42.2
80.96516	7.3
81.95312	8.1
83.01382	4.8
85.02948	15.6
87.00852	7.3
89.02441	90.9
93.03442	2.4
95.01383	3.7
95.95238	2.3
96.96008	59.5
97.02975	2.4
98.95612	6.2
99.00861	1.5
101.02438	41.3
106.04966	1.2
111.00877	5.4
113.02448	27.9
119.03505	38.3
120.03799	1.5
121.02951	3.0
122.03745	4.4
123.03242	1.8
125.02384	1.5
129.01921	4.1
131.03513	3.2
134.03755	2.9
138.05598	7.6
138.97090	3.8
143.03493	5.2
147.09857	1.2
149.02455	13.6
149.04529	4.1
150.03223	38.3
150.97076	1.3
153.01909	2.2
161.04562	5.2
164.04761	2.1
165.05557	35.2
166.05992	1.4
177.04080	1.4
177.05542	2.8
178.02899	1.3
179.05627	13.4
180.04289	1.8
193.05119	1.4
195.06602	20.1
233.27707	1.4
238.98688	7.0
239.99074	1.5
241.00233	3.9
242.99875	1.3
256.99707	12.4
258.99307	3.3
268.07281	2.7
296.06894	1.2
299.00720	1.8
309.07608	1.9
311.09265	1.5
322.08340	1.6
323.09198	3.9
324.09973	2.0
338.11575	1.8
339.08719	13.5
340.09299	1.5
354.11121	5.9
355.11496	1.4
360.05396	2.7
360.09854	49.8
360.59979	11.3
361.09927	5.3
361.59918	1.5
369.13385	28.9
370.13730	3.0
397.62259	1.5
463.19977	5.3
465.20401	2.9
517.18933	7.6
518.18744	1.9
581.19037	2.6
583.22137	1.4
701.26599	3.6
745.18774	16.8
745.31195	14.9
746.18060	2.4
746.30627	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	745.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07130	0.8
57.03416	1.4
59.01365	4.2
61.09734	0.7
61.98809	1.7
66.78568	0.7
69.42888	0.9
71.01380	4.9
71.01696	0.8
71.02504	3.7
72.99274	1.4
73.02945	1.3
73.23627	0.7
74.02461	1.5
75.00856	2.6
79.95729	40.4
80.96511	71.1
85.02941	4.3
85.04025	1.7
86.04375	0.8
87.00864	1.0
88.98776	1.2
89.02425	1.9
93.03395	0.9
95.01410	0.9
95.95220	1.0
96.96004	32.4
97.16626	0.7
97.42686	0.8
98.95570	0.9
99.00865	1.9
99.01971	3.0
101.02419	1.5
111.00814	2.0
111.01995	0.8
113.02448	4.5
113.58440	1.0
115.08762	6.0
118.06548	1.3
121.99181	6.9
122.03696	1.1
129.01898	1.4
134.03659	1.0
136.01530	1.0
137.02342	1.2
138.97003	2.6
140.07166	1.1
141.06660	0.9
146.06050	1.9
147.04509	0.9
149.02367	1.3
150.03221	7.4
161.02312	1.2
163.08731	0.9
165.05565	9.3
167.01180	1.8
167.08168	1.0
175.08653	1.5
181.04935	0.8
181.13718	0.8
184.10915	5.1
184.12247	1.0
189.06607	1.9
189.10185	1.1
193.05025	1.2
195.06593	8.4
199.04930	0.8
201.06537	2.7
203.08200	1.0
206.09589	1.8
207.04456	4.8
221.05872	4.5
229.81604	0.9
232.03033	0.8
232.11467	1.2
237.18398	3.1
238.98512	2.0
241.00079	2.7
249.05879	1.8
253.17830	1.3
256.99695	6.5
258.09088	1.0
285.07333	0.9
299.83780	0.9
311.07629	0.8
379.17978	2.8
387.14386	1.7
415.23001	3.1
419.85178	1.0
425.14548	2.8
489.10406	0.9
497.27173	1.0
526.31647	0.8
665.29865	6.5
666.29193	1.2
745.25916	100.0
746.13800	1.4
746.26373	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03461	1.5
59.01374	17.2
61.91852	0.5
61.98819	8.9
63.18375	0.6
68.34247	0.6
69.03471	0.9
69.49663	2.9
69.50089	1.8
71.01376	9.2
72.99298	2.1
73.02940	1.9
79.95730	27.4
80.96512	16.8
80.96998	0.8
81.03454	0.6
81.95339	0.6
83.01394	2.8
85.02927	3.3
87.00870	4.7
89.02468	2.8
94.98074	0.7
95.01402	1.2
95.95233	2.0
96.96001	100.0
97.02953	1.7
98.20638	1.0
98.95599	1.3
99.00874	2.5
99.04505	1.6
101.02416	5.1
107.31923	0.5
108.02174	0.5
111.00872	7.9
113.02451	3.1
115.00338	1.2
119.03478	1.0
120.96015	3.7
122.03776	1.2
122.97599	1.4
125.02426	0.6
129.01941	4.8
133.02895	0.7
134.03732	0.8
135.04538	1.4
136.95488	1.2
137.96300	0.6
138.97076	8.9
141.01930	1.6
148.99063	0.7
149.02443	1.9
150.03226	7.1
150.97078	1.2
151.03984	0.6
153.01895	1.7
154.96445	0.8
159.02956	2.2
161.02402	0.5
161.04561	0.7
164.04814	0.6
165.01901	1.2
165.05554	7.1
166.96510	1.1
179.05576	0.6
180.04356	0.9
180.98105	0.8
191.05470	0.8
192.98100	1.7
193.04987	1.4
195.06606	5.5
201.04013	2.1
209.06586	0.7
210.19466	0.6
210.99207	0.6
225.07701	0.8
231.61819	0.5
237.05573	1.2
238.98616	8.1
240.97961	1.2
241.00215	15.1
253.00203	1.2
256.99689	17.0
257.99982	0.6
278.22592	0.6
280.99680	8.1
281.99982	0.9
283.01349	3.7
283.09561	1.4
299.00742	23.0
299.04178	1.1
300.01022	0.9
323.09308	0.8
339.08606	0.7
342.11081	0.6
342.99667	1.8
357.13480	1.7
360.09848	8.0
360.60046	2.1
369.13266	2.0
441.62750	0.8
442.13144	0.6
463.19687	0.8
479.19470	1.9
481.21106	6.4
482.21249	1.4
535.19824	1.5
583.22107	1.3
621.30804	0.6
630.48865	0.6
659.25909	4.6
701.26819	35.4
702.27185	6.6
709.32880	4.4
710.33203	1.2
745.25854	59.3
746.26257	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	743.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.2
59.01095	1.1
59.01376	20.7
61.98803	2.8
64.64784	0.7
64.93316	0.8
67.01894	1.2
69.03443	1.4
69.56474	5.1
71.01375	7.8
72.99294	2.1
73.02958	2.0
75.00863	0.9
79.95731	47.5
80.96508	18.1
81.03446	0.9
83.01371	1.9
85.02958	4.6
87.00867	5.2
89.02421	2.7
93.03458	1.5
94.98051	0.8
95.95229	4.6
96.96004	100.0
97.02927	1.4
98.19850	1.7
99.00868	2.4
99.04513	1.9
101.02426	3.1
101.50957	0.9
103.00304	1.0
105.97936	0.9
111.00883	11.1
113.02421	2.5
115.00308	0.9
118.25037	0.7
119.03560	1.0
120.95993	4.7
123.00811	0.9
127.28407	0.7
129.01926	5.0
134.03777	1.1
135.04453	1.3
136.95447	1.4
137.02419	2.2
138.97069	9.5
141.01929	2.4
148.95529	1.3
153.01907	1.1
154.96552	1.7
159.02962	2.1
164.49609	0.9
166.96466	1.4
172.53453	0.8
177.04062	1.0
191.05533	0.9
192.98114	1.6
201.04114	1.1
209.06682	1.4
220.97618	1.1
222.99174	1.0
238.98679	8.8
241.00217	8.7
253.00165	2.0
256.99686	24.1
280.99713	9.8
283.01248	5.4
299.00769	26.3
342.99713	2.9
364.23563	1.0
407.43240	0.9
479.19455	4.1
501.14905	2.1
619.30060	0.9
657.24390	4.8
658.24182	1.4
699.25342	54.4
700.25574	9.0
743.24274	68.6
744.24707	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	743.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38120	0.7
54.52940	0.7
55.01861	1.6
57.03430	3.4
57.19456	0.7
58.00577	1.1
59.01373	15.0
71.01373	22.6
72.01703	1.0
72.99301	6.4
73.02941	4.8
75.00516	1.0
75.00874	13.1
79.95729	17.4
80.96515	12.7
83.01381	4.5
85.02942	22.7
87.00871	8.0
89.02434	3.5
94.98065	2.1
95.01371	3.5
95.95217	2.1
96.96001	69.8
98.20650	1.5
99.00870	11.7
99.04491	1.0
101.02438	7.5
103.00342	1.9
110.61806	0.8
111.00872	10.9
113.02435	22.3
115.00335	2.3
117.01908	2.4
119.03542	0.9
120.95972	2.2
127.00358	0.8
129.01947	6.9
138.97031	6.4
145.76015	0.9
150.97009	1.0
154.96539	1.1
159.02959	1.8
175.02380	1.8
188.67453	0.8
194.71939	0.9
210.99135	1.3
215.14622	0.7
231.05170	1.5
235.17075	9.0
236.17343	1.2
238.98650	11.8
241.00217	5.5
249.06136	11.8
251.16518	3.4
255.96925	0.8
256.99686	30.3
259.01147	3.7
267.07178	2.0
280.36566	1.0
413.21756	10.3
414.21835	1.9
485.24219	1.4
501.23212	1.1
663.28638	35.1
664.28998	5.2
743.24298	100.0
744.24634	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	742.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01104	0.2
59.01371	0.7
61.98827	100.0
62.98518	0.2
69.27682	2.0
71.01379	0.3
87.00859	0.4
88.98808	0.5
89.02460	0.7
93.70256	0.2
98.05612	0.2
101.02451	0.3
115.02990	0.2
212.92845	0.2
281.24881	0.5
282.25168	0.9
283.25461	0.5
305.11703	0.2
318.37741	0.2
397.13525	0.3
398.13922	0.9
399.14047	1.2
400.14343	0.8
417.14816	0.4
459.70697	0.2
602.56311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01377	6.8
61.98824	1.4
65.31238	0.7
69.84474	3.1
70.46594	0.6
71.01375	10.5
72.99326	3.5
73.02954	1.2
75.00871	4.4
79.95734	100.0
80.96512	12.1
83.01396	3.4
85.02950	7.4
87.00864	5.7
89.02457	2.1
94.98061	1.6
95.01395	2.0
95.95219	2.3
96.96007	97.9
99.00868	5.1
101.02412	3.8
103.00351	1.1
111.00874	10.8
113.02441	8.0
115.00349	1.5
117.01871	0.6
117.37598	0.7
118.94186	1.0
119.03476	0.7
120.95976	1.9
127.00340	1.1
129.01227	0.6
129.01941	6.2
135.04512	0.9
136.95496	0.7
138.97069	7.6
150.03110	0.9
150.97005	1.4
154.96512	0.8
159.02895	3.2
160.95216	0.8
165.05527	1.4
166.96532	1.5
175.02419	0.9
177.03889	0.9
180.63057	0.7
189.58946	0.7
192.97922	0.8
193.04916	1.4
195.95462	0.7
196.88577	0.9
210.98994	1.3
235.16815	1.9
238.98640	15.3
239.98630	0.8
241.00206	9.4
249.05946	1.8
251.16396	1.4
256.99707	37.3
257.99725	2.2
259.01001	2.6
267.06860	1.5
274.27814	0.7
340.04962	0.8
360.09860	13.3
360.60037	4.8
361.09427	1.9
413.21136	2.9
463.20041	27.6
463.26233	0.9
464.20581	3.4
479.18781	1.9
501.22476	1.0
581.17767	1.2
607.14093	0.8
663.28619	14.9
664.27319	2.4
699.23346	1.1
736.31616	0.7
743.17609	69.4
743.43549	1.6
744.17816	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	743.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
57.03428	2.9
59.01370	13.3
61.98829	18.6
69.03437	0.8
69.58866	3.2
69.59283	2.3
71.01373	17.0
72.99305	5.2
73.02927	2.8
75.00868	8.7
75.22531	0.7
79.95731	94.0
80.96512	14.5
83.01385	4.0
85.02945	16.5
87.00876	8.9
89.02434	2.5
94.98075	1.6
95.01369	2.8
95.95210	2.9
96.62581	1.0
96.96004	100.0
97.02912	1.2
97.81783	0.8
99.00864	8.8
101.02424	5.2
103.00378	2.5
111.00869	14.9
113.02441	16.5
114.02870	0.9
115.00351	2.3
117.87551	0.8
118.71123	0.6
118.94213	1.8
120.95996	2.7
125.02418	0.8
127.00360	1.6
129.01939	9.4
130.08711	0.7
134.03683	2.3
135.04478	2.3
138.97054	8.6
148.33850	0.8
149.06085	0.8
150.03172	1.6
153.01848	0.9
154.96556	0.8
158.57954	0.9
159.02925	1.7
161.02454	1.4
165.05540	1.7
166.96487	1.6
175.02429	1.7
193.05029	2.2
210.99153	2.5
224.72850	0.8
231.05078	1.0
235.16913	3.7
238.98637	15.9
239.01038	1.1
241.00230	10.4
249.06195	3.1
251.16425	1.8
256.99692	42.3
257.99850	2.3
259.01254	4.0
267.07227	1.7
312.29065	0.8
353.08801	1.8
360.09814	7.1
360.59991	1.6
369.33807	0.9
375.13165	0.9
413.21805	5.3
463.20029	23.2
464.20404	3.2
501.23849	1.7
581.18835	4.5
663.28680	23.2
664.28687	5.5
682.34882	1.5
683.34851	2.0
699.24493	1.4
743.23340	66.4
744.21259	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	741.425
Annotation	Avermectin A1a monosaccharide
Peak:m/z	Relative Intensity
59.01356	0.8
70.03393	3.8
71.01363	1.9
72.27898	0.7
72.99294	0.8
78.95893	1.1
79.95733	49.6
80.96516	12.3
81.95290	1.2
85.02925	1.3
87.00871	1.8
92.98500	0.9
95.95199	1.1
96.96004	56.6
98.19888	1.0
98.83152	0.7
98.95544	2.2
111.00864	3.4
114.22009	0.7
118.35023	0.8
120.96002	2.0
132.64397	0.8
137.96291	0.8
138.97043	3.5
150.97060	0.9
152.99487	0.9
157.24562	0.8
157.77838	0.8
159.02965	0.9
166.96565	0.8
186.19548	0.7
192.53064	0.8
215.67377	0.8
220.97426	1.0
238.98604	1.9
247.38290	0.8
256.99594	2.8
279.20306	1.5
279.23254	21.3
280.23682	2.0
291.66162	0.9
318.38229	0.7
416.70242	0.8
417.30182	0.8
501.21616	0.9
503.22858	2.0
518.95349	0.8
519.22577	7.7
520.22388	0.9
729.53375	1.0
741.42334	100.0
742.42725	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	739.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06668	3.8
61.98824	5.9
69.32355	37.1
75.16708	4.3
79.95737	38.7
80.96490	5.0
88.74702	3.9
96.95994	79.2
102.20436	3.7
157.48532	4.2
177.28978	4.7
277.21704	16.0
279.23151	7.6
293.17813	3.9
324.71973	4.5
423.90311	4.2
431.28015	4.0
445.93295	5.0
445.99295	4.6
460.30640	4.4
739.40741	100.0
739.50153	4.8
740.41522	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	739.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01377	24.3
61.98825	3.2
67.74368	1.1
70.20426	1.1
71.01379	24.9
71.28901	2.3
72.99309	1.7
73.02947	5.2
81.03432	1.5
83.01391	3.2
84.85015	1.2
85.02944	5.7
87.00871	5.2
89.02432	21.4
89.06924	1.1
89.96603	1.2
97.02929	2.8
101.02433	16.2
103.42174	1.2
113.02448	8.7
119.03497	6.0
121.53320	1.3
125.02428	7.8
131.03496	1.3
133.05048	1.3
143.03513	3.8
146.56595	1.1
152.99629	1.3
161.04527	4.5
179.05579	5.0
217.00240	1.1
221.06662	1.4
235.08237	8.8
252.94356	1.3
253.09331	1.7
270.31940	1.3
277.21652	1.4
281.24826	78.6
282.25146	6.7
287.07684	2.9
305.08719	1.9
393.25375	1.3
397.13467	100.0
398.13849	8.2
415.14529	32.4
415.18796	0.8
416.14896	2.9
627.11261	1.4
657.33179	3.4
679.38562	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	740.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98826	100.0
62.98529	0.2
71.01389	0.3
73.50037	0.1
83.01392	0.1
85.02979	0.1
87.00919	0.1
89.02453	0.3
98.20663	0.1
101.02445	0.3
102.02782	0.1
113.02464	0.1
125.02451	0.1
162.60532	0.1
174.83484	0.1
235.08327	0.1
236.08676	0.1
279.23206	0.5
280.23627	0.6
281.23944	0.3
282.24200	0.2
290.76962	0.1
397.13583	0.4
398.13751	0.4
399.14066	0.8
400.14325	0.4
416.14951	0.1
417.15259	0.3
418.15555	0.1
504.28519	0.1
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
53.92988	0.0
59.01377	0.2
61.98824	100.0
62.98529	0.2
62.99263	0.1
70.71786	0.1
70.90876	0.1
70.91216	0.1
79.95760	0.1
83.05014	0.1
88.37965	0.1
96.96014	0.3
168.17216	0.1
197.69293	0.1
256.99835	0.1
360.09723	0.2
400.63873	0.1
679.50909	0.2
680.50574	1.3
740.49146	2.1
741.29126	0.1
741.49268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89908	0.3
55.01876	0.7
57.03442	1.7
58.00590	0.8
59.01375	17.2
59.63953	0.3
60.82472	0.4
61.31783	0.4
65.17165	0.3
67.01890	0.4
71.01377	15.0
71.01762	0.8
71.62620	0.5
72.99306	2.2
73.02952	2.8
75.00882	1.0
76.97023	0.4
78.95905	0.3
79.95732	23.3
80.96510	16.4
83.01375	3.8
85.02946	4.7
87.00864	6.5
89.02434	9.1
94.98079	2.1
95.01392	1.2
95.95219	2.9
96.96004	81.8
97.02932	0.4
98.95587	0.6
99.00873	2.9
101.01773	0.5
101.02437	8.6
103.00349	0.6
111.00870	13.9
112.01193	0.4
113.02441	5.3
115.00389	0.8
119.03501	2.7
120.96015	2.9
127.00368	1.7
127.85676	0.4
129.01942	7.5
133.02998	0.4
135.04543	0.8
136.95506	0.6
136.99225	0.4
137.02481	0.5
138.97063	7.2
144.99362	0.3
148.99191	0.5
150.97034	0.5
154.96533	1.4
159.02968	2.9
166.96530	1.3
177.04022	1.3
180.98123	0.6
182.96001	0.5
190.96555	1.0
192.98033	0.8
193.05035	0.5
210.99083	2.3
221.70430	0.4
235.38118	0.4
238.98637	18.1
239.98831	0.4
241.00209	8.5
242.00658	0.4
256.99704	50.3
258.00021	2.3
259.01178	1.8
303.23135	0.8
342.90637	0.4
443.72296	0.4
481.27948	3.2
482.28455	0.6
499.29443	0.5
504.31253	0.5
517.24823	0.6
579.24670	1.0
661.34180	1.2
662.34253	0.5
706.15204	0.4
741.30005	100.0
742.30273	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5077
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
59.01377	2.1
66.58141	0.3
69.71667	1.7
71.01393	0.4
78.95896	18.2
79.95728	3.5
80.96518	0.6
96.96014	3.7
96.96946	1.9
116.97245	0.8
125.95440	0.3
141.01669	1.4
150.55301	0.3
152.88168	0.3
152.99570	14.4
153.99907	0.4
169.31607	0.3
171.00621	0.7
202.44768	0.3
225.84857	0.3
261.22278	0.5
272.07819	0.3
277.21677	7.0
278.22037	1.0
279.23245	100.0
280.23593	10.2
281.24796	2.7
282.25143	0.4
332.16592	0.3
394.94061	0.3
402.24167	0.6
458.26593	1.9
459.27103	0.3
476.27563	1.0
517.21173	0.7
738.50684	38.3
739.40430	4.7
739.51172	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	739.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55545	0.5
57.03432	1.0
58.69531	0.5
59.01379	37.0
62.34948	0.5
69.03449	0.8
71.01376	11.6
72.99297	2.8
73.02935	0.9
75.00867	8.6
83.01355	0.8
85.02945	11.9
87.00881	3.9
89.02440	8.5
95.01385	3.2
96.96005	2.3
98.19836	1.5
99.00880	5.6
101.02444	6.2
101.06073	62.7
102.06402	1.7
103.00337	1.2
113.01679	1.0
113.02442	14.7
115.00359	1.1
117.01914	2.3
119.03473	2.1
123.04457	0.6
129.01947	1.4
135.04507	1.4
148.12778	0.5
163.11276	25.3
164.11595	1.9
170.21677	0.6
175.02429	1.6
185.66125	0.5
198.43477	0.7
207.10284	1.1
230.54649	1.0
231.04984	0.7
249.06166	8.6
254.57625	0.6
265.74225	0.5
267.07245	0.9
291.10632	0.8
305.06863	1.2
323.98331	0.5
333.11874	1.0
350.13571	1.0
351.12924	85.2
352.13351	6.7
387.16565	100.0
388.16925	11.7
739.22278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36861	0.1
57.51721	0.1
59.01370	0.4
59.26741	0.1
61.98825	100.0
62.98519	0.2
71.01383	0.3
87.45486	0.1
89.02443	0.3
97.88133	0.1
98.19862	0.2
101.02436	0.2
102.02778	0.1
103.58625	0.1
119.03535	0.1
235.08287	0.1
235.74751	0.1
257.57187	0.1
277.21786	0.4
278.22137	0.5
279.22672	0.3
397.13449	0.3
398.13748	0.4
399.13934	0.6
400.14328	0.3
416.14627	0.1
417.15207	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.6
61.98825	100.0
62.98540	0.1
62.99266	0.1
70.02935	0.4
71.01401	0.6
84.05407	0.1
85.02951	0.1
87.00861	0.1
89.02454	0.4
97.02954	0.1
101.02457	0.4
113.02464	0.1
182.25459	0.1
271.29535	0.1
277.21710	0.7
278.22031	0.5
279.23059	0.5
397.13675	0.4
398.13995	0.6
399.13965	0.9
400.14471	0.3
416.14883	0.2
417.15146	0.2
418.15546	0.1
737.43213	0.1
738.51477	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01363	0.2
61.98824	100.0
65.11063	0.1
66.85533	0.1
71.01395	0.3
71.18580	0.2
72.99304	0.2
75.00872	1.9
77.53157	0.1
78.95927	0.2
85.02943	1.9
85.03428	0.2
86.23834	0.1
95.01382	0.3
95.97311	0.1
96.96058	0.2
99.00926	0.2
104.84607	0.1
113.02449	1.0
116.01201	0.1
119.73960	0.1
127.74464	0.1
151.09662	0.1
153.11188	0.1
279.23279	1.2
319.28424	0.1
499.34381	0.4
583.97705	0.1
619.28351	0.1
675.37360	11.0
676.37689	2.7
676.48346	0.2
738.51062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67371	0.6
55.01877	0.5
57.03429	1.1
58.00589	0.6
59.01373	32.1
69.03429	1.8
70.76372	1.6
71.01373	23.3
72.99286	2.0
73.02943	3.3
81.03433	0.7
83.01360	2.1
85.02933	4.5
87.00861	5.0
89.01911	1.2
89.02434	18.6
91.03983	0.5
95.01360	1.6
96.13106	0.5
96.96004	0.7
97.02936	4.2
99.00848	1.9
101.02435	17.7
111.04498	0.7
113.02431	7.8
119.03484	5.5
125.02427	6.1
131.03461	1.1
133.05066	0.7
137.35353	0.6
141.01686	6.1
143.03444	3.4
155.52495	0.6
161.04541	3.9
179.05595	4.1
213.41953	0.6
221.06622	1.5
234.40845	0.6
235.08194	8.9
245.06441	0.6
253.09216	1.9
261.22095	0.8
263.07739	1.0
279.23242	80.0
280.23590	7.9
287.07578	2.6
305.08755	3.7
323.09998	0.7
379.12845	0.6
397.13440	100.0
398.13715	8.4
415.14523	31.3
416.14862	3.0
579.51270	0.6
677.37610	3.9
678.37842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01375	41.0
60.01718	0.6
61.98822	5.9
71.01379	2.4
71.62138	0.8
72.14099	0.5
72.99287	1.1
75.00875	1.5
79.95741	0.7
85.02948	1.8
85.49910	0.5
89.02435	1.6
96.96022	4.0
97.06578	1.2
100.98780	0.6
101.02435	2.2
102.54234	0.5
113.02460	2.0
119.03488	1.1
161.04503	1.2
279.23270	2.2
291.21271	0.6
337.21631	1.2
351.23270	1.7
393.27936	13.8
394.28204	2.4
421.31152	1.1
451.32104	3.7
453.29681	1.4
497.32712	26.3
498.33099	4.8
501.32178	1.0
515.33710	100.0
516.34106	20.0
677.37201	0.6
737.38947	0.9
760.32202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43070	0.2
59.01376	15.9
64.59168	0.2
66.90822	0.2
67.05379	0.2
79.95745	0.3
81.03455	5.0
83.05019	14.6
84.05353	0.4
96.95973	0.5
100.07655	0.2
108.04559	0.3
125.07178	0.8
126.05602	0.4
134.20500	0.2
138.95990	0.2
143.08218	0.5
207.14973	1.3
224.17696	2.3
225.16057	13.2
226.16386	0.7
242.18755	0.4
250.15556	0.4
291.20663	0.2
309.21817	0.7
324.26468	0.5
333.22836	0.5
339.11530	0.2
341.29279	0.6
360.10074	1.0
360.60162	0.3
367.27002	1.4
433.31656	1.2
450.34381	1.1
451.32883	7.8
452.33014	1.5
478.78876	0.2
535.38849	0.3
550.43146	1.0
559.39746	0.4
565.44122	0.5
593.43970	0.6
659.48523	2.4
660.49127	0.4
677.49603	100.0
678.49921	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	737.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01903	1.8
57.03440	1.6
59.01373	24.5
61.98829	6.8
69.03441	2.3
71.01379	26.2
72.99287	2.8
73.02937	5.8
75.00858	1.8
75.17360	1.4
78.95923	1.7
81.03437	2.7
83.01385	3.2
84.02993	1.6
85.02949	10.2
87.00872	19.1
89.02441	21.7
95.01382	3.1
96.96007	4.2
97.02972	3.9
99.00887	2.3
101.01846	1.2
101.02441	25.2
104.38014	1.5
113.02435	14.7
119.03497	8.9
125.02451	11.9
126.02711	1.5
131.03612	1.3
143.03479	7.1
161.04539	4.4
162.14619	1.4
179.05582	4.7
221.06622	3.5
235.08205	13.5
253.09296	6.4
275.01672	1.4
279.23264	100.0
280.23608	10.6
287.07730	3.6
293.24829	2.2
305.08679	7.6
323.09845	2.5
397.13458	85.6
398.13898	8.0
414.52802	1.7
415.14551	54.5
416.14941	4.1
677.37360	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	735.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95932	0.8
59.01380	30.8
60.99303	2.0
61.98822	1.6
71.01385	3.8
71.45662	0.7
71.61712	0.9
71.62103	0.9
71.80293	0.7
72.99314	3.6
75.00872	10.7
78.95903	0.9
85.02937	3.8
88.98804	20.3
89.02423	1.5
89.72784	0.8
95.01364	1.1
95.05029	1.4
96.61190	0.7
96.96001	4.6
97.06586	42.8
98.06922	0.8
101.02440	3.0
113.02437	2.4
119.03470	2.1
139.38744	0.8
140.82353	0.8
158.53764	0.8
160.00206	0.8
161.04579	1.0
183.53552	0.8
279.23260	0.8
337.18311	2.6
337.68710	1.2
338.18625	0.7
366.18692	0.9
391.26215	5.1
395.18936	2.2
395.68976	2.8
396.19397	0.9
417.18286	1.9
417.63309	1.0
417.68408	3.9
449.30295	1.5
451.32413	1.1
495.31146	29.6
496.31256	6.3
513.32166	100.0
514.32550	21.3
555.32928	1.1
675.37109	0.9
735.37933	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	737.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03444	5.0
58.44441	0.6
59.01374	11.1
62.56337	0.5
67.01860	1.1
68.99795	1.5
69.03456	5.3
71.01376	22.3
72.99301	5.3
73.02944	6.9
75.00871	1.9
80.61657	0.6
83.01389	4.6
84.02132	0.6
85.02944	20.1
87.00868	6.8
87.04519	1.6
89.02438	8.0
95.01377	1.3
96.96011	3.2
97.02940	8.8
99.00886	9.3
101.02441	7.3
105.56824	0.6
111.00867	2.4
111.08108	0.6
113.02444	5.4
115.04015	3.5
118.03815	0.6
125.02422	1.5
129.01945	7.3
130.02309	0.7
130.36896	0.6
131.03477	0.8
138.75519	0.6
141.01907	2.1
159.03012	1.0
161.04558	1.1
173.08183	0.7
191.05618	5.1
209.06619	0.9
230.33987	0.8
233.15359	1.0
235.16997	7.4
236.17401	0.6
251.16425	1.0
262.69522	0.6
284.03391	0.6
284.07919	0.6
319.78787	0.6
413.21823	1.6
427.23138	2.0
493.84500	0.6
545.25903	8.0
546.25818	1.1
687.28412	3.1
737.32336	100.0
738.32623	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11229	0.6
61.98848	0.7
64.05274	0.5
71.62863	0.8
78.95886	0.9
80.91699	0.6
82.95378	0.8
116.09496	0.6
117.04127	0.6
147.10382	0.6
175.99625	0.6
182.20053	0.6
277.21735	7.1
284.19583	0.6
445.56122	0.6
455.35257	100.0
456.35596	17.5
703.08032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95716	0.3
58.02971	5.6
59.01369	0.5
69.54149	1.1
69.54581	1.2
70.02979	5.6
70.42014	0.3
72.00917	1.8
72.04537	1.5
74.02468	35.9
93.03454	0.6
96.96006	3.3
98.02467	7.6
98.20646	0.4
99.00930	0.4
116.03542	8.6
116.05045	13.5
117.05396	0.6
126.01244	0.4
130.06628	1.5
136.01680	0.5
137.02426	1.2
139.00366	0.5
142.06627	3.5
143.06993	0.4
150.03221	0.5
151.03932	0.8
153.01851	0.3
159.09265	2.4
165.05586	0.5
174.22824	0.4
181.19292	0.3
183.09222	0.7
186.05582	0.9
201.10324	3.3
203.08243	37.2
204.08615	2.4
245.09279	100.0
246.09607	7.9
289.08231	0.8
300.02643	0.4
336.61148	0.3
347.11392	0.7
368.09518	0.6
542.68469	0.3
543.18616	1.4
548.46118	0.3
651.80548	0.3
705.24036	0.4
760.10205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03442	2.9
58.00596	0.5
59.01377	14.0
61.98821	0.8
67.01875	0.9
67.30158	0.3
68.99803	0.5
69.03443	0.8
71.01377	19.4
71.62860	0.3
72.98917	0.5
72.99306	5.4
73.02946	3.6
75.00867	14.7
79.95753	0.5
83.01375	2.2
85.02946	19.7
86.03278	0.3
87.00871	5.7
87.04508	46.9
88.04847	0.8
89.02430	3.7
95.01379	4.5
96.96010	4.7
97.02894	0.4
99.00869	8.3
99.04500	0.7
101.02444	5.0
103.00372	1.2
111.00861	0.7
113.02441	16.2
115.00364	1.9
117.01932	2.3
119.03482	0.5
129.01971	1.6
129.02765	0.3
130.99869	0.4
131.03438	0.3
135.04462	0.3
139.00357	0.3
157.01457	0.5
161.04532	0.5
175.02516	1.3
175.03804	0.3
233.15340	0.4
235.17047	3.8
249.06174	0.9
251.16473	0.9
265.24985	0.3
319.10284	0.5
337.11267	1.6
337.18442	0.8
396.21432	0.4
413.21838	2.8
414.22186	0.5
417.22104	0.4
459.68127	1.1
460.18094	0.8
477.22247	1.9
477.72415	0.3
555.28094	3.1
556.28650	0.5
629.35297	1.2
630.35620	0.3
647.36365	1.1
715.31696	0.9
732.43951	1.1
733.32794	100.0
734.33179	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	733.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01377	2.3
59.95177	0.8
67.01882	1.0
68.99833	1.1
69.83886	4.3
71.01383	7.1
72.99307	7.7
73.97878	0.7
75.00867	66.0
83.01391	0.9
85.02950	11.5
95.01389	5.7
96.96001	3.2
97.02946	1.5
98.20629	0.9
99.00876	7.3
111.00874	3.0
112.01669	2.2
113.02442	15.2
117.01939	3.1
118.07409	0.8
129.01888	0.9
139.00377	1.1
148.94635	0.8
157.01422	1.5
162.15712	0.7
233.02998	5.0
233.19406	0.7
337.34485	0.9
497.32678	3.0
499.34058	3.4
500.34366	0.8
559.35437	0.8
668.43738	1.0
670.45923	1.0
671.37665	1.3
733.37976	100.0
734.38312	29.1
734.51465	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	731.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46333	0.4
57.03444	2.6
59.01368	1.9
59.59854	0.4
66.77522	0.4
67.01898	0.7
68.99833	0.8
69.03448	1.9
69.78747	2.4
71.01369	4.0
72.99297	2.1
73.02950	0.6
83.01387	1.8
85.02942	11.0
87.00868	2.2
87.04521	1.2
89.02431	0.6
93.03446	20.2
94.03795	0.6
96.96003	1.6
97.02938	2.8
98.95602	0.5
99.00868	2.7
101.02436	0.4
101.06059	0.4
111.00863	1.5
113.02437	0.9
113.18100	0.4
115.04023	2.1
117.15070	0.4
119.05051	0.5
123.04511	57.0
124.04794	2.1
129.01939	8.5
137.02428	54.0
138.02776	2.7
141.01886	2.1
153.05557	100.0
154.05910	4.2
159.02974	1.3
167.28299	0.4
191.05606	7.5
205.05127	0.5
209.06627	13.8
210.07014	0.7
329.08725	70.8
330.09085	6.3
336.08347	0.6
357.11856	23.6
358.12167	2.5
381.84402	0.4
757.30676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03447	2.1
58.00597	0.6
59.01377	100.0
60.01707	1.6
60.28200	0.6
61.98837	7.1
69.03461	0.9
69.26030	3.8
69.26451	1.9
71.01380	30.4
72.04100	0.5
72.99305	1.2
73.02946	6.6
75.00872	1.5
79.88335	0.5
79.95755	0.7
83.01397	3.6
85.02950	16.3
85.03448	1.1
86.00076	0.7
86.03273	0.7
87.00863	2.8
89.02435	9.5
95.01363	4.2
96.96017	6.2
97.02956	2.8
98.95591	0.8
99.00867	3.1
101.02441	14.2
107.02863	0.6
111.00871	1.4
112.01665	1.0
113.02444	25.5
115.04055	0.9
119.03487	4.0
124.01647	4.0
125.02442	7.4
129.01976	1.0
143.03508	5.8
149.04561	0.7
159.03014	1.2
161.04521	4.2
179.05614	1.2
343.15329	0.6
346.90378	0.6
349.83832	0.7
355.17834	0.7
381.22650	3.5
399.23935	1.9
441.24719	0.8
457.79932	0.7
489.25162	1.3
492.15359	0.6
507.25937	2.4
525.18854	1.0
525.26996	25.0
526.27539	4.8
543.28076	71.7
544.28473	13.2
561.29144	22.1
562.29266	4.1
585.29163	13.1
586.29706	2.0
603.30170	21.4
604.30255	4.4
645.32336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.32
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	0.6
58.32231	0.3
59.01396	0.5
60.70000	0.3
61.98819	1.2
65.69901	0.3
69.32692	2.0
69.33103	0.8
70.02969	0.5
71.01389	0.5
71.10297	0.3
72.00891	0.9
74.02464	0.7
82.02514	0.5
82.02974	6.4
83.02505	1.2
84.00882	0.5
85.04051	0.9
90.13072	0.3
96.95987	1.2
97.00411	0.9
98.01169	0.4
98.20590	0.6
99.01978	1.2
109.04071	3.5
110.01215	1.1
110.02455	0.9
110.06100	0.9
111.00889	0.4
111.01996	2.6
111.05637	0.3
112.04035	0.8
113.07198	4.3
114.05553	0.7
116.05060	3.5
116.07168	2.8
118.06618	3.2
121.48161	0.3
123.05619	1.4
125.07190	7.0
127.05125	18.2
127.08762	9.7
128.03526	1.2
128.05496	0.5
129.10272	0.8
130.06630	1.0
131.05003	0.7
134.03711	0.8
137.02501	0.5
137.03557	8.6
139.05075	0.5
139.08716	0.6
141.06715	0.5
142.05060	0.6
142.06555	1.5
146.06111	0.6
148.07678	0.3
153.06664	3.1
153.10310	0.7
154.05144	0.6
155.08243	1.8
157.07701	0.4
158.06088	2.7
159.09303	0.5
160.01610	1.0
160.07666	3.6
163.08778	2.7
171.07735	10.7
173.07236	1.7
175.03973	1.1
177.05403	0.4
178.06230	3.2
179.04619	3.9
179.08224	0.9
181.09744	1.6
182.09312	2.3
186.05589	10.7
186.09077	0.4
187.06282	0.7
189.06548	0.5
193.05109	0.7
197.09380	0.4
198.06284	0.4
199.07187	2.0
201.06676	2.6
203.08208	3.4
206.09315	26.8
207.07707	2.0
207.09633	1.3
209.08025	2.6
210.08455	0.3
214.12292	0.8
224.10374	35.5
225.10687	2.1
231.14911	0.8
238.12001	0.6
239.11868	0.7
257.12915	25.6
258.13220	2.2
274.15558	9.6
275.15994	0.8
300.13516	2.4
301.11847	0.6
310.15594	1.0
318.14545	17.6
319.14761	1.4
319.85190	0.4
326.15002	0.7
354.14606	1.3
360.09921	0.4
371.16861	0.6
371.20868	2.1
372.15622	0.4
372.20981	0.4
383.17224	1.3
385.11319	0.5
388.12952	0.5
409.14972	0.8
482.24036	24.8
483.24335	3.9
526.23010	100.0
527.23297	15.6
636.74487	0.4
730.32025	9.4
731.32458	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13828	0.6
55.01861	1.0
57.03420	0.7
59.01373	14.1
61.98830	6.0
69.03445	1.2
69.94753	0.7
71.01379	16.5
72.99298	2.2
73.02937	3.2
75.00871	0.7
79.95730	8.9
80.96507	2.6
83.01382	2.2
85.02952	5.2
87.00870	2.5
88.98811	3.4
89.02446	10.5
94.29872	0.6
95.01414	0.8
95.95214	1.4
96.96004	29.3
97.02927	1.0
98.95587	2.4
98.96252	0.7
99.00880	3.8
101.02444	10.1
109.03019	0.7
111.00875	2.0
113.02428	6.1
119.03484	2.3
125.02452	0.8
129.01941	1.7
134.03728	2.2
135.04495	1.0
137.02411	1.7
138.97017	1.4
143.03531	0.9
149.04559	1.1
149.06036	0.7
153.01949	1.1
159.03015	0.8
161.04558	1.5
175.04034	0.9
180.58412	0.7
193.05074	3.3
209.06631	1.0
236.85912	0.7
238.98665	1.5
241.00186	5.1
243.21445	0.7
256.99695	3.0
257.46674	0.7
271.74512	0.7
305.32294	0.8
331.90497	0.7
361.10147	1.6
371.11929	1.5
381.10464	1.8
399.23654	0.9
403.09729	2.3
403.60150	1.2
421.47086	0.8
526.22583	1.0
561.29443	1.4
685.26044	1.9
693.33319	100.0
694.33582	21.7
729.31775	27.1
730.32080	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	729.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75744	0.4
69.76171	0.2
71.01347	0.2
72.99281	0.1
75.00867	0.5
78.95898	0.5
79.95734	3.5
84.59322	0.1
85.02943	0.3
96.96001	100.0
97.95944	0.3
98.20626	0.1
113.02451	0.2
114.93405	0.3
115.00370	0.5
165.61525	0.1
207.19867	0.1
255.74336	0.1
303.49060	0.1
454.73935	0.1
631.38458	2.0
632.38477	0.4
729.30627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70679	0.7
51.75474	0.6
57.03432	0.9
59.01376	8.9
63.08760	0.6
71.01379	6.5
71.08119	1.3
71.08460	0.7
72.58465	0.6
72.99274	0.6
73.02914	1.4
79.95733	100.0
80.96515	10.7
83.01371	2.1
85.02927	3.7
87.00851	4.4
89.02439	2.5
94.98087	1.1
95.95230	2.0
96.96006	91.7
97.02929	0.8
99.00867	2.5
101.02438	3.8
111.00869	7.5
113.02444	3.1
120.96005	1.8
127.00402	1.1
129.01929	4.2
138.97060	5.1
150.96999	0.9
153.01945	1.1
154.96527	1.0
159.03014	1.1
166.96527	0.9
192.98192	0.7
210.99222	0.9
238.98631	11.2
241.00217	11.5
256.99707	28.8
258.00110	0.8
283.01422	1.0
299.00763	2.4
444.06943	0.8
461.18539	3.9
463.20029	27.5
464.20642	3.7
505.51816	0.8
543.28094	1.7
561.29407	2.0
586.71106	0.7
641.24774	14.0
642.24872	3.0
683.25873	51.2
684.26453	8.5
709.23602	3.1
727.24817	52.4
728.25049	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	727.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
56.68809	1.2
57.03444	5.2
58.00585	2.6
59.01376	73.6
61.98829	9.7
69.03448	3.0
70.85400	3.2
71.01379	58.7
72.99300	6.2
73.02940	6.0
75.00863	2.4
79.46016	1.4
79.95734	14.9
80.96519	5.9
83.01378	6.2
85.02950	22.9
87.00876	5.7
88.98806	1.8
89.02440	50.6
90.79559	1.3
93.03443	2.8
95.01386	4.9
95.95219	2.6
96.96001	52.2
97.02943	3.4
99.00887	2.0
101.02431	30.8
103.00357	1.4
109.02938	5.1
111.00890	4.8
113.02444	21.7
119.03503	22.2
119.04915	2.3
120.95956	1.4
122.03698	1.5
123.08185	2.2
125.06047	1.9
129.01917	6.9
131.03539	3.2
134.03716	3.2
136.01614	1.6
137.02458	4.9
138.97041	3.8
143.03479	4.1
149.02422	1.5
149.04527	2.5
149.05997	1.6
150.03209	2.3
151.04012	2.4
153.01939	12.8
160.01703	1.4
161.02397	1.4
161.04572	6.7
163.03987	3.0
165.05551	2.7
167.10768	8.7
175.03989	1.6
179.05603	17.7
185.11807	3.3
191.05624	1.9
193.05092	6.3
195.26129	1.6
205.17169	1.3
209.06644	2.1
238.98625	6.2
241.00204	2.8
244.56642	1.3
249.15096	1.7
256.99750	20.7
273.14932	10.8
299.00797	3.0
301.17886	1.9
319.19043	3.3
344.28876	1.3
347.17120	1.5
361.10776	1.8
361.20276	2.2
371.11783	3.3
373.20074	5.9
387.14679	3.3
391.21286	11.4
463.19849	1.8
487.30447	2.3
505.31699	11.4
506.31741	1.5
623.36176	4.4
626.73511	1.4
641.24481	3.7
641.37238	1.8
642.25439	1.7
649.35736	3.8
667.36914	100.0
668.37262	23.5
683.25757	14.4
684.25934	2.7
713.11615	1.5
727.25037	26.4
727.37476	6.7
728.25861	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	729.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75578	0.9
53.37411	0.9
57.03444	1.4
59.01374	7.9
61.98822	1.8
71.01372	6.1
72.99305	1.9
73.02947	1.4
75.00857	3.0
78.95898	0.9
79.39137	0.9
79.95731	21.6
80.96513	11.8
81.95278	1.0
83.01388	3.5
85.02929	5.7
85.82505	1.3
87.00851	5.0
89.02436	1.8
94.98061	1.9
95.95246	5.3
96.96003	100.0
97.02949	0.8
98.95582	3.9
99.00865	2.7
101.02414	3.8
111.00867	9.2
113.02437	2.9
115.00354	1.9
117.03484	1.1
120.95995	2.1
123.53963	0.8
127.00401	1.8
129.01935	5.5
134.03717	3.6
138.97070	6.9
141.01952	1.0
150.97063	2.0
154.96411	1.0
159.02928	2.6
162.60159	0.8
166.96503	1.1
177.04018	3.1
193.05042	4.2
210.99100	2.2
215.80902	1.0
238.98663	14.4
241.00237	11.0
256.99698	40.9
258.00015	2.0
361.18564	4.1
367.10355	1.6
389.18344	0.8
448.12222	26.3
448.62347	9.1
449.12167	3.3
643.26392	7.4
685.27338	27.4
686.27881	4.5
711.24512	0.9
729.27191	29.0
730.27460	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	725.374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91091	0.8
58.00587	3.5
59.01374	100.0
66.91553	0.8
69.36105	7.7
71.01376	47.4
72.99297	4.4
73.02944	2.2
73.50491	1.0
75.00867	0.8
76.13043	0.9
78.63136	0.8
79.95708	1.3
81.18727	0.9
83.01376	1.9
85.02935	6.9
87.00859	3.5
89.02435	72.1
95.01369	3.7
96.96002	4.0
98.20641	1.8
101.02437	24.6
102.02811	0.9
113.02438	22.9
119.02634	1.3
119.03487	27.2
119.04801	1.1
120.03846	0.9
131.03482	4.0
134.03716	3.1
143.03487	7.0
149.04524	3.4
156.08893	0.8
160.01668	2.4
161.04536	10.0
175.03987	1.8
179.05594	34.6
180.05875	1.6
193.05069	2.4
342.92953	0.9
343.19070	1.1
387.16486	2.0
549.17010	1.2
665.35327	46.8
666.35492	9.1
725.22083	1.5
728.83295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50809	0.6
51.89084	0.5
55.01870	0.7
57.03445	1.8
58.00589	1.1
59.01374	100.0
60.01714	1.4
61.98827	2.1
69.03450	0.6
71.01378	33.9
72.99306	2.6
73.02949	1.5
75.00870	0.6
79.95724	2.9
80.96541	0.7
83.01394	2.0
83.05017	2.1
85.02942	7.9
87.00888	2.0
89.02438	38.0
90.02765	0.8
95.01396	2.3
95.95253	0.7
96.96007	6.4
97.02939	1.1
99.00861	1.4
101.02438	20.0
101.03078	1.1
102.02746	0.7
113.02447	14.1
119.03505	15.0
120.03893	0.7
123.08173	1.6
125.02472	0.7
129.01942	0.7
131.03511	2.7
138.01990	1.1
141.09283	0.6
143.03511	4.1
149.04518	1.1
161.04515	3.9
179.05611	11.4
213.64026	0.5
249.14929	0.9
250.06415	0.6
255.13857	0.7
256.99600	0.8
280.84491	0.6
300.96060	0.6
325.17841	1.3
327.21808	0.6
343.19125	1.7
344.19345	0.6
360.09891	5.3
360.60199	1.1
361.09906	0.8
361.20193	2.4
485.29303	0.9
503.30240	3.3
523.25751	3.6
647.34430	2.6
648.34613	0.6
665.35358	88.5
666.35693	21.0
681.28864	2.4
683.38965	0.9
725.33551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03432	5.3
57.73503	1.9
59.01094	2.5
59.01376	35.5
67.01876	3.4
68.99798	3.0
69.03458	9.0
71.01384	20.4
71.62334	2.2
72.99297	2.9
73.02946	14.3
75.29638	1.7
81.03456	2.9
83.01371	4.3
83.05026	2.3
85.02943	54.5
85.33150	1.7
87.00867	100.0
87.04503	4.8
93.03459	6.7
95.01377	21.0
96.96031	5.4
97.02940	27.1
98.95668	1.8
99.00854	3.2
99.04471	4.4
99.44810	1.7
101.02413	2.0
103.04025	8.5
109.02939	8.9
111.00883	7.7
111.04552	1.8
113.02423	20.5
115.00367	11.9
115.03962	2.0
123.04440	1.6
125.02360	1.9
127.04002	15.5
129.02028	2.6
137.02451	4.1
139.00368	15.0
145.05074	6.5
155.03484	2.3
157.01379	8.6
169.04991	2.6
171.02972	2.9
172.42557	1.5
173.04477	3.5
175.02444	52.3
176.02829	3.4
181.01485	1.7
199.02455	37.3
217.03510	17.2
285.06161	3.9
303.07199	20.6
321.08243	6.3
323.13153	1.9
337.11295	6.9
345.08148	7.9
387.09323	16.8
405.10339	7.5
492.26959	1.6
563.12610	2.1
581.14380	1.7
594.18158	1.6
623.14484	6.2
685.18823	2.6
709.18555	15.9
710.18781	3.3
727.19446	23.3
728.19690	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	725.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01373	5.5
61.64826	0.4
62.67809	0.4
69.03460	0.5
69.31724	1.7
69.32155	2.5
71.01373	6.6
72.99303	3.9
73.02936	1.6
75.00869	6.5
79.95734	35.7
80.96059	0.8
80.96516	12.1
83.01385	2.1
85.02943	4.9
87.00864	5.3
89.02440	1.5
94.98075	1.6
95.01367	0.6
95.95229	10.0
96.96004	83.9
97.02921	0.8
98.95636	1.1
99.00874	3.5
99.61613	0.5
101.02441	3.0
103.00356	0.6
111.00870	10.7
113.02456	2.3
115.00365	1.5
117.01926	3.7
120.96021	1.9
127.00337	1.2
129.01944	5.8
133.01437	0.4
134.03745	0.5
135.79460	0.4
138.97057	5.0
141.01927	0.8
150.97076	2.6
151.97902	0.5
154.96550	0.7
159.02963	2.3
166.96474	0.9
167.00148	0.8
168.43565	0.5
176.98666	0.8
177.04018	2.8
178.96506	0.5
190.96507	0.7
192.97963	0.6
209.06660	1.6
210.99101	2.1
222.99109	0.6
225.00688	1.0
238.98639	16.1
239.98920	0.7
240.97931	0.8
241.00209	8.7
256.99707	45.1
258.00009	1.8
325.06088	1.4
345.18036	0.9
348.73047	0.5
388.82913	0.5
398.53146	0.4
403.18808	1.4
403.68665	1.0
417.17908	0.5
425.18112	1.6
425.68292	0.9
439.21451	2.0
499.21799	4.4
499.72018	2.4
500.22131	0.6
547.25763	2.1
601.63989	0.5
665.35358	1.5
724.73480	1.6
725.30560	100.0
726.30957	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	724.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99796	0.2
59.01370	1.3
60.19150	0.2
61.98824	100.0
69.27766	1.1
69.28172	0.4
73.15268	0.2
76.97154	0.2
84.16308	0.2
95.02982	0.1
98.31673	0.2
102.91728	0.2
178.79305	0.2
285.13959	0.2
366.43100	0.2
402.72342	0.2
471.07956	0.2
499.34198	0.3
500.34653	1.4
501.34882	1.3
502.35062	1.5
619.02905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18599	0.4
55.01878	0.5
57.03446	0.6
58.00581	1.4
58.56341	0.4
59.01375	33.9
60.01707	0.5
71.01379	19.5
71.12489	0.6
71.12820	0.7
72.99310	2.2
73.02937	0.9
83.01383	1.0
85.02941	4.3
87.00861	1.2
87.71494	0.4
89.02437	21.6
95.01370	2.0
95.04996	0.7
96.96018	1.5
101.02435	13.4
103.12952	0.4
108.02129	0.5
108.26391	0.4
113.02431	7.6
119.02638	0.5
119.03488	9.3
121.02908	0.7
123.04514	62.2
124.04829	2.5
129.01962	0.5
131.03481	1.0
131.07091	0.9
133.02979	0.7
133.50000	0.4
134.03708	0.5
135.04462	1.0
137.02386	1.0
143.03470	1.0
149.04608	0.6
153.05559	95.1
154.05893	4.1
156.00960	0.4
161.02469	0.6
161.08107	0.5
179.05588	1.0
188.52667	0.4
209.06697	0.7
234.31186	0.5
271.02405	0.6
293.12381	1.2
299.02036	1.0
323.13440	100.0
324.13785	8.8
329.08783	0.7
357.11868	25.2
358.12253	3.1
359.25546	0.4
540.99957	0.4
749.97211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04051	1.1
55.01878	1.4
57.03439	2.1
58.00595	2.2
59.01374	37.6
61.98827	1.8
71.01376	36.5
72.99303	2.5
73.02938	5.9
75.00871	1.2
78.53895	1.1
79.95726	13.8
83.01390	6.4
85.02950	17.2
87.00880	3.3
89.02440	20.4
95.01402	4.0
96.95435	1.5
96.96012	18.3
99.00878	4.1
101.02436	23.2
111.00874	2.5
113.02446	18.5
119.03489	7.4
129.01898	1.7
133.03000	1.3
134.03677	1.5
137.02467	2.0
143.03481	1.5
152.98642	1.2
160.95210	1.6
161.04594	2.5
179.05640	2.8
192.06419	1.2
256.99713	4.0
315.80582	1.1
399.23691	1.7
463.20151	3.8
543.27905	2.2
561.29120	25.1
562.29388	3.9
626.86047	1.4
641.24744	14.8
642.25323	3.6
663.23077	3.6
723.34473	100.0
724.34686	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92536	0.4
54.90574	0.4
59.01375	0.6
60.99300	16.5
61.98830	0.7
68.50803	0.4
71.01384	0.8
71.28347	0.7
71.28694	0.4
72.99307	0.6
75.00877	0.8
85.02931	0.4
88.98798	100.0
89.02429	0.8
89.99125	0.9
90.52896	0.4
96.96026	0.5
101.02413	0.5
113.02449	0.8
125.02468	0.5
165.81541	0.4
274.02979	0.4
277.21689	1.7
397.13556	2.5
415.14502	1.1
631.38391	3.1
675.75140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76231	0.2
59.01375	37.7
60.01705	0.3
69.55933	0.2
71.01371	1.0
74.81484	0.2
75.00855	0.2
87.24645	0.2
89.02451	0.5
101.02432	1.1
113.02435	0.6
119.03492	0.7
119.58482	0.2
191.53299	0.2
195.99803	0.2
215.77438	0.2
219.78790	0.2
229.12836	0.2
256.20026	0.2
391.26163	0.4
393.27875	0.9
395.29434	0.6
419.29251	0.3
421.31146	0.8
467.69873	0.2
485.32889	0.4
499.34241	100.0
500.34598	18.3
500.42331	0.3
661.39374	0.9
662.39703	0.3
721.41602	0.7
722.42346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74650	1.1
57.03440	5.7
59.01364	4.0
69.03458	2.2
71.01375	7.4
71.61697	1.5
72.99301	5.4
75.00864	1.4
83.01347	2.7
85.02945	18.3
87.00863	5.6
88.65464	1.0
96.95989	5.2
97.02931	5.1
99.00841	3.8
111.00848	3.7
113.02428	1.1
115.03971	3.2
117.03423	2.3
129.01935	16.3
130.08722	57.1
131.09065	3.0
134.03731	51.8
141.01935	1.9
149.06015	5.0
159.02969	3.6
160.01596	2.0
175.03952	4.1
179.10716	1.3
191.05589	5.8
193.03313	2.2
193.05035	40.1
194.05376	1.9
209.04697	2.4
209.06636	45.7
245.08150	1.3
247.64519	1.1
262.87387	1.1
274.18170	1.5
292.19070	3.5
310.20129	4.7
336.18057	3.7
339.44067	1.1
354.19150	28.5
355.19412	2.7
385.11337	100.0
386.11731	12.4
389.54465	1.2
499.34775	1.1
546.25598	2.7
651.66376	1.3
722.30054	42.8
723.30432	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	723.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
59.01381	4.4
68.99807	1.6
69.03458	3.4
71.01382	5.5
72.99306	5.6
73.02943	0.6
75.00866	0.6
75.32073	0.6
76.13183	0.5
77.96201	0.5
78.95931	0.6
79.01894	2.8
79.23457	0.6
79.95731	0.8
80.89545	0.6
83.01376	1.0
85.02950	5.6
87.00873	4.4
89.02447	2.6
89.03984	0.6
89.79622	0.7
91.01878	1.8
93.03468	0.9
95.01373	0.8
96.96005	3.3
97.02935	2.7
98.20602	2.0
99.00872	1.5
101.02473	0.7
101.61504	0.6
108.02139	1.2
109.03001	0.7
110.00762	0.7
111.00866	1.7
111.04497	1.0
113.02441	2.0
117.03448	4.3
119.01374	5.6
121.02937	2.0
123.00904	0.8
123.04483	1.1
129.01926	3.5
132.02155	5.9
133.02945	2.8
134.03731	100.0
135.04002	3.4
136.79962	0.7
137.02423	4.8
139.04004	1.8
141.01907	2.6
147.00815	3.5
148.05289	0.9
149.02463	1.5
149.06071	20.5
150.03220	0.9
150.06425	1.2
155.03511	4.4
159.03026	1.5
160.01648	28.5
161.02264	2.7
164.04787	1.7
165.01907	1.5
173.04550	5.8
174.98811	0.8
175.00359	23.9
175.03981	36.1
176.00687	0.8
176.04736	3.3
177.01904	1.0
178.02695	17.4
179.03287	0.8
186.06779	0.8
188.04800	0.9
190.02698	54.3
191.03061	4.0
191.05576	6.0
191.07156	3.4
193.05038	95.1
194.05423	4.4
205.05037	76.4
206.05356	5.2
207.06555	1.4
209.06696	3.3
212.96754	0.7
217.08633	1.6
223.06094	2.1
229.64436	0.7
233.08151	3.4
235.06085	5.8
247.06018	0.9
261.07648	2.4
265.07074	1.0
275.05630	1.6
291.08929	0.8
295.08301	1.3
335.07623	3.7
336.07736	0.6
355.10263	2.4
367.10291	84.6
368.10620	6.4
385.11392	17.3
386.11807	1.3
441.12485	1.2
445.53778	0.8
499.14493	6.2
517.15576	16.6
518.15826	2.2
529.14850	0.8
547.16663	6.2
548.16919	0.9
561.16046	9.8
562.16290	1.7
723.21259	17.7
723.33435	0.7
724.21252	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10622	0.1
59.01382	0.6
59.34757	0.1
61.98821	0.2
71.01382	0.4
71.62988	0.2
72.99294	0.2
75.00862	0.4
78.95892	1.3
79.95264	0.2
79.95736	3.9
84.79124	0.1
85.02924	0.3
96.96005	100.0
97.76046	0.1
97.95942	0.4
101.02448	0.1
113.02402	0.2
157.63824	0.2
225.40250	0.2
294.01633	0.3
327.05258	0.3
327.21713	0.3
531.57678	0.1
661.18646	0.2
721.36206	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44855	0.1
51.67442	0.1
58.48805	0.1
59.01371	0.2
71.62509	0.2
72.99313	0.1
75.00874	0.2
78.95896	1.0
79.95731	3.5
96.96004	100.0
97.95947	0.4
107.87995	0.1
183.26704	0.1
184.87836	0.1
313.67328	0.1
386.66507	0.1
623.24664	0.2
720.39124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34623	0.7
58.23184	0.8
59.01350	2.6
59.01635	0.7
61.98807	1.6
63.27026	0.7
64.45455	0.6
67.47025	0.6
71.01373	5.0
71.62818	0.6
71.63245	0.7
72.99281	1.5
73.02933	1.5
75.00854	1.4
76.98504	0.7
79.95728	14.3
80.96503	8.7
83.01361	1.5
85.02955	3.6
87.00842	3.3
87.09833	0.8
89.02412	0.9
96.96001	85.0
99.00903	0.9
101.02418	3.3
111.00900	0.7
113.02428	3.8
122.97580	1.0
138.97047	7.1
144.02547	0.9
150.97037	1.2
166.96564	0.9
187.95691	0.7
208.24336	0.7
241.00201	22.6
242.00375	0.8
301.18860	0.7
364.91678	0.8
511.15140	1.0
673.38214	1.0
717.31348	100.0
718.31677	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.8
58.02950	1.6
59.01370	13.4
68.99806	2.2
69.03441	3.4
70.81891	3.5
70.82229	1.5
71.01381	12.7
72.99303	8.0
73.02931	2.1
75.00874	8.5
81.03433	1.6
83.01365	3.3
85.02945	23.7
87.00872	6.3
89.02431	4.3
95.01385	2.5
95.05013	2.3
96.95998	8.4
97.02945	5.2
99.00858	4.9
99.04507	1.5
101.02425	3.7
111.00867	3.1
113.02466	5.5
115.03986	3.1
117.03429	2.8
128.10782	3.5
129.01936	15.7
130.08734	60.0
134.02708	2.0
134.03729	40.2
135.08133	2.9
138.05566	2.3
141.01918	2.4
149.06058	2.3
154.08754	1.9
159.02986	3.5
160.01631	1.9
175.03970	2.6
177.09183	1.6
191.05568	4.7
193.05032	33.9
194.05322	3.2
209.06636	35.2
246.18837	1.7
290.17505	3.9
308.18735	2.9
334.16525	4.6
352.13354	2.4
352.17612	30.5
353.18042	3.6
385.11368	100.0
386.11722	10.9
407.11655	3.1
475.35660	1.6
485.14920	3.6
497.27460	4.2
544.23883	3.0
675.37427	6.0
676.38208	4.0
677.34546	2.7
680.26208	1.9
718.37976	1.6
720.28619	35.6
720.40900	3.1
721.28894	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	721.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62094	0.5
57.03465	0.8
59.01376	1.3
65.82496	0.5
69.29781	3.5
69.30197	1.2
71.01375	2.1
72.99297	0.8
79.95731	31.7
80.96521	7.1
83.01383	0.7
85.02945	1.4
87.00854	2.1
89.02437	0.7
93.63649	0.6
94.98077	0.8
95.95203	2.4
96.96003	81.4
99.00861	1.1
99.98657	0.4
101.02419	0.6
111.00864	5.3
113.02437	0.8
120.96014	0.9
127.00323	0.8
129.01929	3.0
138.97047	4.7
150.97060	0.7
159.02898	0.7
177.04034	0.8
192.98039	0.8
197.95329	0.6
210.99098	1.1
238.98630	7.4
241.00189	7.2
256.99692	26.0
257.99902	1.1
259.01236	8.7
259.60309	0.5
262.72150	0.5
360.09891	5.2
360.59946	2.0
361.09805	0.9
388.21707	0.6
461.18451	2.2
463.19977	15.7
464.20355	2.1
479.19632	3.7
641.24762	100.0
642.25031	18.9
673.57458	0.6
685.39703	1.9
721.33704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
85.02909	0.3
91.05791	0.3
91.56180	0.3
91.60078	0.3
96.95999	0.7
98.20709	0.7
124.61486	0.3
137.02434	0.5
194.84450	0.3
196.65326	0.3
277.21399	0.4
677.49579	2.2
678.50323	0.8
713.47284	100.0
714.47577	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	6.8
59.01385	0.6
69.60230	0.2
70.02974	5.7
71.01334	0.3
71.32380	0.5
72.00903	2.0
72.04534	1.4
74.02468	37.8
75.02788	0.4
96.96019	1.2
98.02467	7.7
116.03538	9.3
116.05047	13.7
117.05430	0.4
117.65643	0.3
120.99674	0.3
130.06609	1.2
133.27203	0.3
134.03722	0.3
142.06609	3.3
147.04327	0.3
158.06177	0.3
159.09273	3.1
160.02560	0.3
183.09315	0.9
186.05591	0.8
201.10347	3.5
203.08244	38.9
204.08580	2.5
230.08163	2.0
245.09288	100.0
246.09618	8.1
262.10864	3.5
289.08176	0.6
384.10385	0.5
424.16113	1.8
439.41870	0.3
714.23987	0.3
715.22144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.04499	0.4
57.03447	1.0
58.00598	0.9
59.01378	29.3
59.42918	0.4
61.68547	0.4
67.84443	0.5
69.46656	3.3
71.01378	18.7
72.99292	2.7
73.02952	1.8
73.06403	0.5
75.00877	1.3
79.95732	14.4
80.96517	4.9
83.01406	1.9
85.02951	5.2
87.00877	2.1
89.02442	17.1
89.02994	0.9
93.88244	0.4
95.01400	1.6
95.95231	2.6
96.96006	73.3
98.19910	0.8
99.00868	0.7
101.02440	15.0
109.02953	0.4
110.97547	0.6
113.02442	7.6
119.03514	5.1
125.02438	0.5
129.01973	0.4
138.97073	4.3
143.03516	0.5
150.97063	0.8
166.96573	0.8
167.23593	0.4
226.14864	0.4
240.97925	0.7
241.00195	8.6
256.99652	0.8
259.01300	0.6
271.47937	0.5
274.25143	0.4
282.23038	0.4
293.21051	0.4
455.26440	6.1
456.26721	1.3
473.27502	0.5
491.23059	3.2
553.22968	0.6
617.83185	0.4
635.32764	2.3
636.33246	0.8
715.28149	100.0
716.28369	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	716.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98827	100.0
69.76021	0.5
69.76431	0.4
70.62194	0.2
74.66318	0.2
74.74226	0.2
78.05492	0.2
82.07240	0.2
90.98788	0.2
96.96010	1.3
98.19949	0.3
113.02467	0.2
126.68782	0.2
147.55164	0.2
152.26224	0.2
193.82843	0.2
322.52313	0.2
408.79041	0.2
546.03271	0.2
583.33557	0.2
653.25262	0.4
662.18158	0.2
706.90552	0.2
716.34985	0.6
717.35962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40726	1.4
53.40242	1.4
56.16769	1.2
59.01373	23.3
61.30325	1.7
61.98817	4.8
66.86426	1.3
67.10332	1.3
67.85183	1.5
69.65314	8.3
71.01363	3.8
73.02931	1.2
78.95901	1.8
85.02937	3.6
89.02475	1.7
96.96011	9.8
97.06554	1.4
101.02434	1.5
113.02466	1.6
172.92226	1.5
197.02182	9.7
210.10051	1.7
393.28055	9.8
394.28473	1.9
451.32516	3.2
453.30219	2.8
465.35928	2.5
497.32803	19.9
498.33029	2.8
515.33759	100.0
516.34186	20.1
609.39984	5.3
627.40912	2.9
677.35400	4.0
713.36823	19.9
714.36420	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	713.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03433	0.8
58.00578	1.1
59.01379	26.4
61.98824	1.0
69.03460	1.3
71.01379	25.0
71.19286	1.5
71.54736	0.5
72.99296	2.0
73.02946	4.1
75.00851	0.6
78.95847	0.6
81.03465	0.9
82.69904	0.5
83.01373	3.2
85.02949	5.5
86.00105	0.7
87.00877	4.7
89.02441	23.6
95.01397	1.5
95.05065	0.6
96.96003	9.3
96.96975	0.9
97.02931	5.2
99.00867	2.2
101.02435	19.1
103.04084	0.7
111.04510	1.2
113.02456	9.5
117.88082	0.5
119.03508	5.6
121.02941	0.8
125.02424	8.5
131.03503	1.2
139.04012	1.2
143.03467	3.1
161.04561	2.8
169.05173	0.6
179.05602	3.2
196.89948	0.6
221.06613	1.2
235.08202	9.5
253.09254	1.4
255.23271	67.1
256.23636	6.0
263.07715	1.1
287.07794	3.2
305.08768	3.7
323.09738	1.7
361.11200	0.7
379.12292	1.3
397.13467	100.0
398.13776	8.2
407.79016	0.7
415.14545	30.3
416.15005	2.3
653.37317	6.1
654.37848	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	713.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03453	1.1
58.00580	1.4
59.01377	34.3
59.61678	0.5
60.67353	0.5
61.98819	0.9
68.99822	0.7
69.03428	1.8
70.47310	1.2
70.47660	0.5
71.01379	27.4
71.35369	0.5
72.99306	1.8
73.02953	4.3
75.00842	0.9
78.95903	0.8
79.51482	0.5
81.03452	1.6
83.01375	2.5
85.02952	5.6
87.00861	5.5
87.41477	0.5
89.02438	22.1
89.02990	1.1
91.03980	0.6
91.93275	0.5
94.62482	0.6
95.01374	2.1
97.02931	3.3
98.07258	0.6
99.00877	1.3
99.04503	0.6
101.01767	1.3
101.02431	20.4
105.14201	0.5
111.04507	0.8
113.02445	10.1
119.03506	6.9
121.02955	0.7
123.00865	0.6
125.02448	8.6
131.91385	0.7
133.05063	0.8
141.01952	0.6
143.03503	3.0
149.04517	0.7
161.04564	4.9
171.97601	0.6
179.05608	3.5
185.04457	0.7
194.07805	0.7
196.64339	0.6
208.59552	0.7
221.06573	2.0
231.19427	0.6
235.08189	9.6
235.40460	0.7
253.09282	2.0
255.23264	73.0
256.23611	5.3
257.60605	0.6
263.07672	1.1
277.09262	0.7
287.07745	3.7
305.08725	5.6
323.09760	0.8
397.13452	100.0
398.13733	7.7
415.08905	1.5
415.14511	31.2
416.14905	2.4
460.92224	0.7
485.17786	0.6
532.28717	0.6
653.37317	5.1
654.37854	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03442	0.7
58.00594	1.5
59.01374	29.3
61.98819	1.1
69.03442	1.2
71.00986	1.2
71.01377	22.8
72.99302	2.0
73.02933	3.2
75.43194	0.6
81.03457	1.0
81.21027	0.6
83.01375	2.7
85.02957	4.4
87.00873	5.2
89.02435	22.9
95.01369	1.8
96.96012	1.7
97.02952	4.8
98.19828	1.2
99.00890	1.7
101.02439	20.9
106.88615	0.5
113.02450	10.6
114.02790	0.7
119.03500	5.8
125.02444	7.9
131.03464	0.9
133.05045	1.6
141.01912	0.6
143.03529	3.7
149.04642	0.6
152.23682	0.7
159.41040	0.6
161.04543	3.1
179.05551	4.7
221.06668	1.0
235.08194	8.8
253.09346	1.5
253.21700	70.0
254.22028	6.2
263.07605	0.8
277.21701	6.3
278.22031	0.7
287.07614	2.9
305.08752	2.9
307.24277	0.7
323.09708	1.3
379.12277	0.8
397.13458	100.0
398.13770	8.5
415.14505	33.0
416.14832	3.6
478.70627	0.7
534.62848	0.8
651.36053	3.8
652.36243	0.8
675.35718	1.4
711.33533	7.8
712.33972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.7
58.00572	1.5
59.01374	26.1
61.73273	0.6
61.98529	0.7
61.98825	9.3
69.03448	0.7
70.47934	1.7
71.01377	19.4
72.99297	3.7
73.02905	2.4
75.00871	1.3
78.95885	0.8
79.95731	23.2
80.96519	5.2
82.20770	0.7
83.01355	2.8
84.76178	0.6
85.02937	6.7
87.00834	3.5
87.86972	0.7
89.01923	1.0
89.02440	16.8
93.03450	16.1
94.98072	0.7
95.01364	1.4
95.95227	10.4
96.96001	74.2
97.02917	0.6
99.00844	2.3
101.02440	13.9
111.00843	1.7
113.02444	8.4
118.68470	0.6
119.03512	4.3
120.96021	0.8
129.01889	2.5
131.03416	0.7
134.03680	1.7
135.04585	0.6
137.02432	34.6
138.02737	1.3
138.97060	3.9
159.02962	1.4
173.72372	0.7
177.03961	2.4
182.11690	0.7
186.38734	0.6
188.79721	0.6
193.05006	1.4
210.99069	0.7
225.00668	1.8
238.98590	2.8
241.00232	6.1
256.99698	10.3
259.00909	0.7
273.18405	2.4
291.19382	0.7
294.45178	0.6
453.24905	5.8
489.21356	1.8
633.31134	3.7
653.39154	1.1
713.26587	100.0
714.26965	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	713.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.0
59.01626	3.2
61.98827	6.1
68.78779	2.6
71.01381	12.6
71.18922	4.3
71.19270	4.6
71.75892	2.5
84.58280	2.8
89.02438	11.6
96.95990	3.3
99.00889	4.3
101.02451	9.8
113.02451	5.3
116.34947	2.3
116.92831	7.2
116.97256	22.3
125.02467	3.7
137.98015	2.4
143.03525	3.2
153.56403	2.7
161.04614	3.3
216.13116	3.0
235.08150	5.1
254.96115	2.8
279.23279	43.6
280.23874	4.2
305.08795	3.5
397.13455	100.0
398.13751	8.0
415.14542	25.7
436.20401	3.2
577.26660	3.5
588.76172	4.2
653.70435	3.1
677.37598	11.4
678.37317	3.5
713.35126	63.1
714.34851	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	711.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01377	9.4
61.98824	5.5
64.93219	0.5
65.03959	5.8
67.01888	2.0
69.03455	2.3
69.70906	2.7
71.01382	5.6
72.99322	0.7
73.02956	0.8
75.00887	0.7
79.95746	1.0
83.01418	0.7
85.02957	3.4
87.00884	1.2
89.02442	3.5
91.01901	2.1
95.01414	0.5
96.96004	2.7
97.02952	1.3
99.00853	0.9
99.04533	1.9
101.02445	3.1
108.02234	0.7
109.02947	44.2
110.03318	0.9
113.02444	2.5
119.03510	1.1
125.02435	2.1
135.00876	10.0
143.03481	1.6
153.01927	100.0
154.02275	3.3
161.04482	1.0
179.05467	0.7
210.07607	0.4
217.04988	0.7
251.16516	11.9
252.16846	1.0
348.55276	0.6
472.21048	0.5
711.28583	43.5
712.29010	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	709.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.4
59.01376	34.5
59.18174	0.3
60.01706	0.4
61.02644	0.3
61.98828	5.6
62.02441	0.3
71.01378	6.1
71.63047	0.4
72.99310	0.4
73.02599	0.3
73.02950	2.0
83.01376	0.5
85.02948	3.2
85.73295	0.4
88.46323	0.3
89.02435	0.5
93.97898	0.3
95.01354	0.4
96.96003	0.4
99.00867	1.1
101.02438	3.9
101.66268	0.3
105.24169	0.3
113.02436	2.3
152.94641	0.3
152.99657	0.4
159.02980	0.6
161.04543	2.5
198.55537	0.3
267.05670	0.3
277.21692	100.0
278.22037	11.6
279.23340	0.4
320.94659	0.3
389.16681	0.6
389.21756	10.6
390.22064	1.2
649.43231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89186	0.8
57.03422	2.6
59.01376	34.3
61.98805	1.9
65.77802	0.8
69.03457	4.7
71.01380	15.3
71.62972	0.9
72.01708	1.4
72.99310	4.4
73.02925	7.5
79.62119	0.9
79.95749	1.9
81.03432	1.5
83.01363	3.8
85.02949	9.2
87.00856	3.9
89.02438	7.9
93.03434	1.7
93.26530	0.8
95.01358	1.0
96.96008	11.6
97.02954	5.7
99.00848	1.9
101.02441	8.4
106.18742	0.9
107.05000	1.1
109.02932	8.6
109.06570	4.6
111.00824	1.8
113.02437	6.6
114.02721	0.8
115.03983	0.9
117.03453	1.1
119.03522	4.4
119.05009	6.9
121.02944	9.4
122.03730	1.1
123.04532	1.0
129.01895	3.6
131.03459	1.3
132.02151	1.9
133.02892	1.9
134.03731	32.0
135.04552	11.0
136.04778	0.9
137.02377	3.1
137.06065	37.9
141.01907	2.6
149.04544	1.3
149.06010	5.4
149.20392	0.8
150.03127	1.1
151.03973	1.5
155.03433	2.4
159.02887	1.1
160.01662	9.4
161.02361	3.0
161.04509	3.7
163.03992	2.7
173.04466	4.3
173.08202	0.8
175.02515	1.0
175.03973	12.8
176.04532	1.0
178.02638	1.6
179.03346	2.3
179.05498	2.6
181.05051	100.0
182.05347	6.5
191.05574	3.5
193.03328	1.8
193.05051	24.8
194.05342	2.5
195.06598	1.3
209.06674	8.1
210.06808	0.9
217.08717	0.9
222.11426	0.8
235.06032	1.4
273.07547	0.9
297.34775	0.9
299.00620	1.2
337.74524	0.8
343.06418	1.3
343.10315	22.6
344.10440	2.1
367.06064	1.5
367.10318	16.4
368.10187	3.9
385.11206	5.0
485.12656	1.3
490.30701	0.9
499.11969	2.3
519.24658	1.0
531.14642	2.3
535.16254	3.8
549.15918	4.9
550.15967	1.2
650.36322	2.0
651.36804	3.0
678.49792	1.1
711.21045	54.7
712.21320	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	709.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.6
59.01375	100.0
61.98822	3.7
69.94046	1.6
69.94466	3.4
71.01375	29.9
71.13761	0.8
72.99306	3.8
72.99683	0.8
73.02921	1.3
75.00855	1.5
79.95728	1.3
81.85624	0.8
83.01393	1.6
85.02945	7.6
87.00890	1.7
87.51074	0.8
89.02440	42.0
95.01399	2.0
96.96018	5.3
98.20548	1.3
101.02438	19.7
105.94190	0.8
113.02440	12.4
119.03492	19.2
131.03493	1.9
143.03493	4.4
147.93680	0.9
149.04485	1.5
155.34764	0.8
161.04543	7.6
179.05588	18.1
301.17819	0.9
352.82895	0.9
469.29501	1.4
487.30695	6.4
631.34741	2.4
649.35858	66.1
650.36279	15.2
709.38171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03446	8.2
59.01100	0.8
59.01378	13.7
61.28009	0.9
67.01869	1.4
68.99810	2.9
69.03453	6.0
71.01378	15.5
72.99299	5.9
73.02934	3.3
79.95734	8.7
80.96514	1.8
81.95313	1.2
83.01393	4.4
83.01823	0.8
84.02161	1.1
85.02947	28.0
87.00879	10.1
87.04511	2.7
89.02446	8.2
89.03953	1.4
95.01369	0.9
95.95214	2.1
96.95415	1.4
96.96004	14.3
97.02949	8.0
97.17839	0.8
98.95576	1.3
99.00867	6.2
101.02410	5.2
107.05035	0.9
111.00862	5.8
113.02448	6.2
114.02744	0.9
115.03989	3.0
117.03448	6.8
119.03491	1.4
124.86806	0.9
129.01938	23.7
132.02112	4.0
133.02959	19.4
134.03743	58.7
135.04527	54.4
136.04781	1.7
137.02415	1.9
141.01923	3.7
149.04794	1.1
149.06055	5.6
155.03496	1.1
159.02989	5.5
160.01669	7.5
161.02440	76.0
162.02795	4.8
173.04526	1.1
175.03961	6.2
178.02707	1.8
179.03490	43.1
180.03781	2.3
191.05595	9.8
193.05051	51.3
194.05334	3.2
209.06648	57.8
210.07051	1.5
235.06468	0.9
238.98607	2.0
256.99698	3.1
304.12305	0.9
309.91785	0.9
323.07690	42.9
324.08005	2.9
335.07703	1.0
341.08728	25.0
342.09070	2.8
353.08667	3.0
360.09851	17.6
360.59940	6.0
361.09866	5.6
361.60010	1.9
367.10120	3.0
368.09641	1.9
369.09644	1.7
369.59564	1.3
385.11368	100.0
386.11694	8.9
408.86304	0.9
463.20129	1.2
498.72946	1.0
503.15561	0.8
515.13489	1.9
522.67236	0.8
529.13434	5.2
533.15253	2.5
547.14514	7.3
561.36505	0.8
665.26807	1.6
709.19824	54.9
709.32544	5.5
710.20148	13.5
710.32617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03454	7.1
59.01376	23.5
61.98814	2.2
67.01876	1.7
68.99791	4.0
69.03434	5.6
71.01379	22.6
71.62697	2.8
72.99292	10.8
73.02953	11.3
75.00852	4.7
79.95735	29.4
80.96487	4.9
82.58529	1.3
83.01384	8.5
85.02945	32.9
86.40273	1.4
87.00875	12.6
87.04501	2.7
89.02412	6.6
89.03938	2.2
95.01378	2.4
96.96000	39.1
97.02928	10.7
98.95539	1.9
99.00858	8.1
101.02416	6.9
103.03962	2.3
111.00891	8.5
113.02435	7.8
115.03984	5.2
116.05068	3.1
117.03450	10.3
119.03507	2.0
128.04996	2.8
129.01933	27.1
130.02242	1.5
130.06592	2.2
132.02132	5.8
133.02950	21.8
134.03732	78.0
135.04521	74.0
136.04814	3.6
141.01884	5.0
142.06549	2.6
149.06079	8.5
150.03195	1.9
158.06088	11.2
159.02931	4.9
160.01666	9.7
161.02429	99.6
162.02742	4.4
173.04436	2.5
174.91028	1.4
175.04015	8.9
178.02672	2.5
179.03482	69.3
180.03767	4.2
186.05531	3.3
191.05632	11.7
193.03351	3.0
193.05035	56.0
194.05324	3.4
204.04799	1.9
204.06635	31.1
209.04684	3.0
209.06636	60.7
210.06857	2.3
238.98560	2.8
241.00191	2.1
249.05980	5.4
256.99731	8.6
284.03088	5.1
299.05615	4.3
299.13260	2.1
299.16528	32.9
300.16837	2.7
321.05997	1.6
323.07654	47.3
324.07932	4.0
338.60629	1.5
341.08749	40.7
342.09000	3.7
353.08557	5.7
360.09860	56.1
360.59985	17.6
361.09744	6.4
361.59512	2.1
367.10300	2.8
371.09717	1.9
385.11356	100.0
386.11844	9.2
409.56046	1.5
429.06470	1.7
454.13312	4.0
461.21280	2.4
463.19876	2.6
503.22672	4.6
515.13708	4.9
529.13611	8.5
530.13568	2.5
533.15137	9.8
534.15338	1.9
547.14429	9.6
630.18256	24.0
665.18384	1.8
665.29858	7.6
709.19489	54.4
710.12146	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33613	0.5
55.19526	0.5
58.00573	0.8
59.01377	43.9
67.17113	0.5
71.01374	10.7
72.99292	0.8
79.95683	0.6
83.01389	0.6
85.02931	2.3
86.77475	0.5
89.02442	10.5
95.01356	1.1
96.95998	4.0
101.02428	7.7
104.65308	0.5
109.02910	0.9
113.02457	4.0
119.03504	3.6
121.02979	0.6
122.03680	0.8
132.02208	0.6
133.02940	1.3
134.03734	1.5
136.01624	1.3
139.07596	0.7
149.02423	0.8
150.03209	2.0
151.03955	2.1
153.01901	1.1
160.01674	1.0
161.02446	2.5
163.11275	3.9
164.51282	0.5
165.05553	2.4
166.02682	1.1
175.03984	2.5
181.05031	1.8
193.05025	0.5
195.06604	1.6
206.02806	0.7
207.10263	8.1
208.10617	0.7
229.01424	0.8
244.81158	0.6
271.06104	1.8
283.02463	0.9
286.08514	1.1
301.10721	2.7
305.07071	0.6
319.13934	4.3
320.14099	0.6
349.12692	0.9
386.08383	0.7
387.16565	100.0
388.16888	10.6
497.18073	1.9
545.20380	1.7
707.17450	3.2
708.18866	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
56.29039	0.8
57.03436	6.0
59.01373	6.5
67.01898	1.2
69.03448	3.7
69.63051	4.1
69.63467	1.8
71.01372	9.7
72.99274	4.5
73.02950	2.1
79.95742	2.6
83.01394	2.6
84.02119	1.3
85.02942	18.9
87.00866	5.9
87.04501	2.1
89.02450	2.8
89.03999	1.9
89.40043	1.0
96.96003	42.3
97.02928	5.5
98.95593	1.4
99.00869	3.7
101.02424	1.9
107.04991	0.9
109.02890	1.0
111.00877	3.4
113.02467	2.6
115.04005	3.8
117.03458	5.9
123.00919	0.9
129.01933	16.7
132.02191	2.5
133.02945	17.3
134.03734	59.1
135.04518	92.7
136.01665	1.0
136.04869	3.4
137.02428	2.1
141.01920	2.7
149.06065	5.1
150.03383	0.9
159.02972	3.3
160.01620	10.7
161.02429	65.2
162.02769	2.6
165.05540	1.1
175.03995	7.8
178.02698	2.2
179.03477	89.6
180.03841	4.8
182.05145	0.9
191.05573	6.7
193.05035	39.4
194.05409	2.7
195.06662	1.3
205.63148	0.9
209.06645	40.0
210.07053	2.1
235.05917	0.8
241.04933	0.8
281.49014	0.8
284.03229	8.5
287.09412	0.9
299.05600	3.2
323.07669	48.2
324.08032	4.2
341.08707	55.3
342.09061	4.1
353.08795	1.7
367.10321	5.5
385.11365	100.0
386.11743	9.8
441.12567	1.8
441.62485	1.4
461.10809	8.3
462.11020	1.0
515.13721	1.4
529.13312	2.7
533.14905	1.1
547.14905	3.5
665.28436	2.8
666.30542	1.0
709.19489	21.0
710.19653	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	707.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66481	0.4
58.00579	0.6
59.01376	40.4
63.70413	0.4
71.01379	10.1
71.62770	0.7
72.99306	1.1
73.02946	0.5
78.00263	0.5
78.57958	0.5
79.95722	0.5
83.01385	0.8
85.02944	2.6
87.00860	0.6
87.85328	0.4
88.42475	0.5
89.02438	12.1
90.02763	0.4
95.01368	0.6
96.96004	4.1
101.02444	7.8
102.02848	0.4
108.02156	0.5
108.19101	0.6
109.02950	1.1
113.02440	3.9
114.86639	0.4
119.03481	4.7
123.63604	0.5
132.02151	0.5
133.02901	0.6
134.03743	1.4
135.04483	0.6
136.01656	2.3
140.97789	0.5
143.03354	0.5
150.03191	1.7
151.00294	0.6
151.04039	2.3
153.01941	1.3
160.01674	2.0
161.02444	3.0
163.11273	4.2
165.05542	1.3
166.02649	1.6
175.03996	1.9
181.05080	1.8
193.05009	0.5
195.06723	1.0
207.10257	7.6
208.10583	0.6
211.04625	0.5
229.01419	1.3
255.03029	0.5
264.49008	0.5
271.05988	1.5
281.04636	0.5
283.02475	1.4
284.03131	0.6
285.04153	0.6
285.07458	0.7
286.08386	1.5
301.10724	2.4
302.11197	0.5
305.06845	0.6
319.13892	3.4
320.14163	1.1
349.12604	1.1
387.16559	100.0
388.16910	11.3
410.87646	0.5
497.17896	1.1
545.20514	2.3
707.17676	2.3
708.18909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54921	0.4
57.03444	0.5
58.00585	0.6
59.01375	100.0
60.01712	0.9
61.98820	2.5
69.03420	0.6
70.69150	1.0
71.01375	5.7
72.99298	0.7
73.02935	3.6
75.00873	0.6
78.95901	0.5
83.01372	0.6
83.05016	6.1
83.05467	0.8
85.02954	0.9
86.84980	0.4
89.02466	1.7
96.95983	0.5
97.06562	0.5
101.02430	2.6
106.72176	0.4
113.02425	2.9
116.92848	0.5
119.03519	1.1
121.06605	1.1
124.82787	0.5
125.06090	0.5
131.03441	0.5
139.07588	0.6
147.08154	0.5
153.09186	0.5
161.04596	1.8
163.11304	3.3
175.11295	1.1
187.11267	0.6
205.12315	7.8
223.13429	0.8
261.22272	0.6
263.23846	0.7
273.22238	3.0
277.21686	46.3
278.22015	4.6
291.23264	26.7
292.23608	3.2
301.21735	3.8
319.22745	15.6
319.26498	0.6
320.23276	1.7
331.22806	0.6
349.23767	2.2
373.23834	0.5
379.24765	0.5
395.24258	0.5
429.55475	0.5
439.26962	0.7
480.15994	0.5
511.06735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96070	0.9
57.03450	3.9
59.01375	17.0
64.59827	0.9
67.01902	1.4
68.99813	2.2
69.03435	5.5
69.24901	3.9
69.25330	6.3
69.36233	1.1
71.01384	14.2
72.99295	7.0
73.02942	5.6
75.00842	1.1
79.95731	2.9
80.96512	1.1
83.00941	1.2
83.01385	6.2
85.02951	22.0
87.00886	6.9
87.04520	1.2
89.02431	4.8
96.96012	14.8
97.02934	9.3
98.95583	1.1
99.00867	4.9
99.04510	41.8
100.04868	1.5
100.54949	1.1
101.02426	6.9
102.71991	1.0
111.00872	3.1
113.02434	4.3
115.04004	4.4
119.03540	1.6
129.01936	10.3
141.01918	3.8
159.02934	2.1
191.05518	6.4
193.05034	1.6
209.06694	6.0
231.02499	0.9
241.43129	1.2
256.99741	1.5
269.65073	1.0
291.10938	8.2
295.10434	1.1
441.12463	3.4
443.22556	2.8
471.22269	6.9
483.67096	1.2
613.24866	3.8
614.04736	1.1
621.27490	2.5
663.28656	100.0
664.28882	19.6
707.27484	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	707.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96070	0.9
57.03450	3.9
59.01375	17.0
64.59827	0.9
67.01902	1.4
68.99813	2.2
69.03435	5.5
69.24901	3.9
69.25330	6.3
69.36233	1.1
71.01384	14.2
72.99295	7.0
73.02942	5.6
75.00842	1.1
79.95731	2.9
80.96512	1.1
83.00941	1.2
83.01385	6.2
85.02951	22.0
87.00886	6.9
87.04520	1.2
89.02431	4.8
96.96012	14.8
97.02934	9.3
98.95583	1.1
99.00867	4.9
99.04510	41.8
100.04868	1.5
100.54949	1.1
101.02426	6.9
102.71991	1.0
111.00872	3.1
113.02434	4.3
115.04004	4.4
119.03540	1.6
129.01936	10.3
141.01918	3.8
159.02934	2.1
191.05518	6.4
193.05034	1.6
209.06694	6.0
231.02499	0.9
241.43129	1.2
256.99741	1.5
269.65073	1.0
291.10938	8.2
295.10434	1.1
441.12463	3.4
443.22556	2.8
471.22269	6.9
483.67096	1.2
613.24866	3.8
614.04736	1.1
621.27490	2.5
663.28656	100.0
664.28882	19.6
707.27484	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	707.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01143	0.6
59.01379	8.0
61.20141	0.7
61.98808	1.5
70.76901	1.0
70.77223	1.0
71.01362	3.4
79.95731	3.6
80.05055	7.8
82.02987	1.1
83.05022	0.7
85.02927	1.4
89.02436	1.3
94.02979	18.4
94.06612	2.2
96.96001	10.8
97.08753	0.7
101.02441	1.5
104.05035	2.8
106.06622	3.5
107.03770	4.6
108.04533	3.1
111.00893	0.7
113.02399	1.4
120.04557	1.2
120.08171	1.1
121.05320	1.0
121.71090	0.7
122.06113	35.2
123.06456	1.4
124.04027	2.5
124.07658	1.6
129.01933	1.4
130.06673	0.8
132.04543	2.3
134.03716	1.4
134.06107	8.6
135.04483	1.0
136.04012	2.6
136.07632	1.0
137.04765	1.3
138.05608	7.0
139.02716	2.1
146.06107	1.1
147.05614	1.3
148.04033	2.9
150.05600	5.6
152.07164	56.9
153.07478	2.4
158.02452	1.0
160.04018	1.9
161.04663	1.6
162.05598	0.7
168.06595	1.1
172.11328	1.1
174.05573	2.8
175.05128	1.4
180.06659	1.5
180.09549	0.7
183.03596	0.7
186.05667	1.0
188.07138	3.5
190.05043	1.9
201.10292	5.8
211.08736	1.8
213.10332	5.1
215.11832	1.0
217.85452	0.7
221.07153	0.7
223.08777	1.0
223.12422	0.9
224.09497	0.8
225.10301	3.1
226.11009	1.3
227.11835	4.6
229.09819	8.5
229.13368	3.9
237.10284	2.5
238.07356	0.9
239.08223	0.9
239.11871	4.6
241.09914	0.7
243.11394	1.2
245.12903	8.2
247.10886	1.3
249.10300	1.4
250.07408	2.6
251.08185	2.3
251.11830	0.9
252.08791	1.4
253.09671	3.4
255.11377	4.7
256.99570	1.0
257.12943	3.2
259.10788	1.2
263.08188	1.8
264.08804	0.9
265.06827	1.0
265.09784	6.8
266.10327	1.5
267.11359	3.9
273.12460	4.1
277.09689	2.2
278.06940	5.3
278.10480	2.8
279.07706	3.9
279.11221	3.0
281.09167	0.8
281.12915	1.2
289.11972	2.3
291.07913	1.0
291.11221	0.8
293.09308	15.2
294.09848	5.8
295.10815	8.3
296.11423	1.4
297.12399	1.5
301.11868	12.5
305.09174	0.7
306.10052	1.3
307.10883	3.5
309.12396	2.8
313.11841	3.5
319.12946	33.3
320.13403	3.5
323.10272	4.5
325.11810	1.5
327.13443	3.2
332.13736	1.1
337.08282	10.0
338.08826	1.7
339.09723	2.5
344.13922	1.0
346.11819	0.9
351.09814	0.9
355.12921	2.6
356.13867	0.8
360.09857	5.9
360.60040	2.2
372.13449	1.1
373.14130	1.3
374.15048	7.8
386.15094	1.2
388.16943	1.1
391.15353	2.0
392.16177	5.2
393.16476	1.8
400.12680	1.2
416.16098	4.2
417.16489	2.2
431.18164	1.9
432.19308	1.4
434.17102	3.0
435.17731	0.8
446.16873	1.9
458.16986	1.3
459.17874	3.4
460.18683	4.4
462.16489	0.9
463.17572	0.8
474.20572	1.5
476.18143	3.1
477.19064	1.4
486.16473	1.7
492.21188	3.4
503.16504	3.5
504.17764	8.9
505.18216	1.6
518.19299	13.1
519.19666	2.1
531.25977	1.9
535.20660	0.8
536.20117	1.0
539.22864	4.5
540.23132	0.9
550.21832	28.0
551.22339	6.5
557.24091	6.1
558.23865	1.1
571.25183	1.0
575.25037	1.0
581.24017	5.5
583.22015	3.2
599.24988	35.2
600.25226	7.2
602.23840	1.2
615.24310	5.3
616.24902	1.3
625.23151	1.9
626.23505	0.8
631.27734	3.1
632.27429	1.0
643.23999	41.6
644.24329	8.6
647.26746	2.6
648.27637	1.2
657.25854	5.2
658.25806	1.2
675.26605	100.0
676.26825	22.7
689.29529	0.7
707.28760	18.9
708.28943	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01110	0.5
59.01376	3.3
61.98825	1.9
63.23331	0.4
71.01383	2.6
71.30141	0.3
71.62692	0.5
72.99306	0.9
73.02950	0.7
75.00849	0.6
79.95736	5.2
80.96516	2.3
85.02943	2.2
87.00873	0.9
89.02418	1.1
95.95226	1.8
96.96005	90.3
97.02939	0.6
98.36165	0.3
98.95593	0.5
99.00906	0.4
101.02425	1.8
111.00868	0.4
113.02440	1.0
116.80986	0.3
122.97573	0.9
129.01894	0.6
130.08713	1.4
132.02135	0.7
134.03731	2.1
135.04547	1.7
136.21172	0.4
138.97067	3.9
149.06007	0.4
150.97047	1.0
160.01634	1.4
161.02367	0.7
164.98633	0.5
167.32646	0.4
175.04001	1.7
178.02646	0.6
180.98030	0.5
193.05063	2.6
198.99117	1.3
209.06636	2.2
209.26958	0.3
225.00822	0.4
235.27208	0.3
235.69678	0.3
241.00215	3.1
256.99756	0.7
259.01373	0.4
267.15329	0.3
352.17514	0.7
371.09875	0.8
471.98892	0.4
477.23230	0.4
525.27338	20.4
526.27643	3.1
543.15137	0.6
543.28394	0.9
544.14801	0.4
544.22888	0.5
638.41370	0.3
645.35168	0.6
661.27399	0.5
669.40137	1.3
705.33643	100.0
706.34320	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	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21017	0.6
59.01375	100.0
60.01702	1.4
61.98832	2.9
71.01382	5.0
73.02944	4.4
78.95927	1.2
83.05014	5.1
84.28693	0.7
85.02956	1.1
85.46317	0.7
89.02461	1.7
101.02457	2.8
113.02444	3.5
116.92908	0.8
119.03497	0.9
121.06640	1.0
125.06063	0.7
128.38293	0.5
139.07683	0.8
161.04599	1.5
161.88370	0.7
205.12477	1.4
273.22327	3.1
274.22360	0.8
277.21695	35.5
278.22205	2.9
289.21967	1.1
291.23279	25.5
292.23627	3.3
301.21823	3.2
302.22006	1.4
319.22778	13.3
320.23178	1.2
349.24081	2.2
379.24866	1.0
425.87073	0.8
449.98398	0.8
508.48239	0.8
516.30884	0.9
714.77698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
57.03449	2.9
58.00574	0.7
59.01376	28.2
68.99803	1.1
69.03441	1.3
71.01376	20.4
71.63272	0.5
72.99304	5.9
73.02938	4.8
75.00450	0.7
75.00867	13.2
76.74397	0.4
79.95712	1.1
80.96500	0.5
81.03435	0.5
83.01382	2.3
84.02157	0.5
84.67744	0.4
85.02943	18.4
87.00872	5.6
89.02438	5.0
93.03461	0.6
95.01382	4.5
96.95436	0.6
96.96009	7.6
97.02952	1.0
99.00228	0.7
99.00862	8.9
99.04496	1.3
101.02434	6.3
103.00349	1.6
111.00874	0.6
111.22610	0.4
113.02440	15.5
115.00331	1.3
117.01897	1.7
119.03444	0.5
129.01906	1.7
131.03503	0.8
134.03723	1.2
138.64519	0.4
138.86261	0.4
143.03482	0.5
157.01421	0.6
159.02933	0.5
160.01622	1.5
161.04486	0.9
175.02402	1.5
175.03943	1.2
193.04970	1.1
205.07057	0.5
207.52135	0.3
223.07962	0.5
230.68869	0.5
231.05112	0.8
235.17007	6.7
236.17270	0.8
249.03760	0.5
249.06125	7.7
250.06560	0.5
251.16336	1.7
267.07126	1.4
272.30536	0.4
311.45544	0.4
395.20572	1.1
413.21823	3.7
414.22220	0.4
455.22928	2.1
485.23914	2.9
543.14838	1.4
608.09766	0.5
623.23193	0.8
669.40753	5.6
670.41241	1.0
687.28589	1.1
705.29559	100.0
706.29938	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44923	0.3
52.09312	0.3
56.18235	0.4
57.82264	0.4
59.01377	3.9
61.98826	2.5
69.34805	3.1
71.01367	1.7
72.99330	0.5
75.00879	1.0
79.95733	2.4
80.96495	0.7
83.01357	0.4
85.02942	1.8
87.00864	1.1
89.02442	1.3
95.07190	0.4
95.95235	0.5
96.96003	7.2
97.02959	0.6
97.65862	0.4
99.00848	0.7
101.02435	0.8
108.04559	0.6
111.00837	0.4
111.05257	0.4
113.02434	1.5
122.06100	1.2
123.03195	0.4
129.01909	0.5
131.07106	1.1
134.03735	1.0
135.04572	0.5
136.04007	0.4
138.97025	0.6
148.04019	0.7
150.03195	0.6
152.07126	1.4
160.01698	0.4
175.03961	0.5
186.09293	0.6
191.05701	0.4
193.04955	0.8
200.10826	0.5
213.06711	1.1
214.07132	2.0
215.08109	0.6
227.11890	1.9
228.08913	0.5
229.06291	0.4
229.09703	6.6
231.11407	1.0
238.98654	0.8
241.00159	0.8
243.11343	10.9
244.08508	1.6
244.12054	4.9
245.09300	2.5
246.08310	2.6
255.11353	3.9
256.99719	2.3
257.09293	26.5
258.09644	2.0
259.10828	10.5
260.11575	4.1
271.10788	0.7
272.11627	13.7
273.12262	2.9
275.10352	12.4
276.10678	1.1
287.10400	0.5
288.11115	0.6
290.12695	11.5
291.12970	0.9
293.12366	0.7
303.10007	0.8
313.12625	0.6
316.10602	4.3
331.13010	3.4
332.13065	0.6
334.11688	7.1
335.12097	0.6
349.13995	100.0
350.14322	8.4
355.12933	1.6
357.14346	0.5
361.10620	0.7
361.60876	0.9
371.11777	10.3
371.61896	2.3
395.83102	0.4
403.10461	0.4
486.15674	0.8
567.20850	0.7
597.23785	0.9
617.53638	0.4
629.26215	4.2
669.24756	0.7
705.35718	5.2
706.33923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72084	0.5
53.99688	0.4
58.02696	0.4
58.02972	5.9
59.01377	4.9
60.90100	0.4
70.02973	6.1
71.01379	1.7
71.62356	0.6
72.00889	2.4
72.04550	1.2
73.02937	1.4
74.02471	38.4
79.95706	0.5
82.95683	0.4
83.01389	0.6
84.04490	0.4
85.02959	1.6
89.02427	0.5
93.03462	3.9
96.96004	2.9
97.02965	0.4
98.02473	8.4
101.02433	1.3
101.06059	1.1
113.02423	0.9
116.03538	11.2
116.05048	13.3
117.05394	0.6
121.02950	1.0
125.02425	0.5
129.01962	0.4
130.06647	1.4
130.08681	0.4
134.03767	0.6
135.04480	0.6
137.02435	6.1
139.00380	0.8
142.06648	3.0
149.02487	0.8
150.03203	1.1
159.09267	2.3
161.02425	1.0
161.04643	0.7
164.04826	0.4
175.02451	0.4
183.09187	1.0
186.05542	0.7
195.06531	0.5
201.10371	2.8
203.08243	37.6
204.08524	2.2
209.06636	1.3
223.06134	0.7
241.05283	0.4
245.09286	100.0
245.39600	0.4
246.09612	7.9
267.06879	0.5
289.08325	1.0
313.09283	0.8
317.10226	1.5
350.65244	0.4
385.10660	0.4
397.20761	0.5
415.12277	1.3
513.17902	1.0
552.32220	0.5
617.20166	0.9
705.22253	0.5
706.19904	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41792	0.7
59.01375	100.0
61.98814	2.2
65.64343	1.0
69.53336	6.5
72.34188	0.8
78.95911	2.1
82.97935	1.1
83.44436	0.8
96.96005	4.9
137.92465	0.8
139.32433	1.0
180.12093	1.0
310.27591	0.8
437.12323	1.4
438.13214	3.0
452.14896	1.4
481.15140	27.0
482.15616	7.7
495.16730	10.7
496.16818	3.4
497.18338	5.0
498.18628	1.2
514.14465	2.4
523.16138	1.8
539.15564	2.7
540.16589	7.5
541.16760	1.1
554.18042	2.8
555.18781	50.8
556.19006	13.3
572.15601	15.0
573.15637	3.9
586.16992	5.4
627.20813	2.0
641.22418	27.9
642.22931	7.3
682.21436	1.1
701.24585	69.5
702.24768	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03437	6.3
58.51780	1.0
59.01376	10.4
61.98829	3.1
67.01881	1.9
68.99817	1.3
69.03456	3.6
69.25279	11.2
71.01376	24.4
72.99298	4.2
73.02943	70.0
74.99100	1.7
75.00869	2.4
79.95736	16.7
80.18207	1.0
80.96508	10.5
81.62986	0.9
83.01395	8.2
85.02944	24.1
87.00874	10.9
87.04526	3.6
89.02425	6.0
95.95222	7.7
96.96004	80.0
97.02938	7.8
99.00882	6.5
101.02431	10.0
108.83651	1.0
110.97602	1.3
111.00877	9.8
113.02419	6.8
115.00345	1.3
115.04012	3.7
119.03522	2.0
129.01935	18.5
135.04535	1.5
136.01672	4.3
136.95529	1.6
136.99147	1.1
138.97069	7.5
141.01962	3.8
150.03162	2.7
150.97070	1.9
151.04002	5.0
151.97850	1.2
153.01991	2.4
159.02985	4.2
161.02415	2.0
161.04584	3.1
165.01892	1.6
165.05637	1.2
166.02768	1.8
173.08168	1.4
175.03941	1.4
179.05597	1.2
181.05066	3.0
190.83926	1.2
191.05595	7.5
193.04945	1.6
195.06651	2.0
202.02663	1.7
209.06648	4.4
222.99161	1.1
227.05615	4.3
238.98631	7.4
241.00183	6.7
246.18837	1.1
253.18103	3.4
256.99701	19.9
258.00085	1.2
259.01208	6.4
340.11801	1.2
360.09958	2.1
395.71576	1.2
400.29578	1.2
431.22757	11.7
432.23056	1.3
441.12479	1.6
441.63162	1.5
461.23880	2.4
527.23944	1.5
623.29132	75.1
624.29346	14.3
667.32281	2.1
703.25067	100.0
704.25592	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05521	0.8
57.03440	5.9
59.01376	8.8
61.11247	0.7
61.98824	5.7
67.01887	1.3
67.02216	0.7
68.99809	1.6
69.02989	1.5
69.03396	14.1
69.39613	3.1
69.40033	2.9
70.98085	0.7
71.01376	16.9
72.99311	6.0
73.02927	1.7
75.00861	0.9
79.95731	39.2
80.96516	8.9
83.01380	5.5
84.64691	0.7
85.02946	28.1
87.00871	9.3
87.04498	2.7
88.72650	0.7
88.98803	1.4
89.02451	4.3
94.98066	1.2
95.01356	1.4
95.95238	4.8
96.96004	62.1
97.02930	8.6
99.00873	7.8
99.04507	1.5
101.02431	4.4
108.00603	0.8
111.00872	11.1
113.02437	21.5
115.00354	1.3
115.04035	5.5
119.03480	1.9
120.95911	1.1
129.01927	19.3
134.03677	1.8
135.04533	1.5
136.95552	1.2
137.02454	0.9
138.97052	5.7
141.01952	4.0
142.06563	1.0
148.05287	2.1
149.05798	0.8
150.03197	1.9
159.02939	3.5
165.05505	1.8
167.00166	1.0
173.04576	1.3
175.04047	1.0
178.05014	1.8
191.05565	10.2
192.78006	0.7
192.98111	0.9
193.05057	1.1
195.06468	1.1
207.17538	1.7
209.06543	3.7
210.99075	1.0
211.31201	0.8
226.98254	0.8
233.15456	1.2
238.98651	8.1
241.00188	3.5
249.14966	2.0
251.16534	8.9
256.99695	22.3
259.01260	6.2
267.15945	2.0
279.08435	1.0
283.81967	0.9
327.11099	0.9
338.78311	0.8
342.13312	4.1
343.13718	3.2
395.13306	0.9
411.20175	1.4
429.21286	19.3
430.21576	2.1
441.12387	1.2
459.22144	3.4
491.18918	1.0
503.15738	0.8
539.20453	1.7
621.17047	1.7
621.27533	79.9
622.28198	13.7
701.23242	100.0
702.23456	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	701.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03450	7.5
57.89128	1.0
58.80822	1.1
59.01143	0.9
59.01380	13.5
59.83749	1.2
61.98811	1.9
67.01868	1.4
68.99803	2.2
69.02972	2.2
69.03378	12.4
71.01373	20.2
72.99304	5.9
73.02934	3.6
75.00861	1.2
78.95901	1.1
79.95731	31.0
80.96507	9.6
83.01374	7.0
85.02951	29.7
87.00866	10.2
87.04479	2.1
87.15865	1.0
89.02446	9.4
95.01351	2.0
95.95200	4.6
96.57415	1.3
96.96004	70.9
97.02947	9.4
99.00877	9.2
99.04530	7.1
101.02431	7.4
108.20539	1.2
111.00858	12.0
113.02443	17.0
113.03204	1.6
115.03978	4.3
119.03448	3.5
120.95992	1.5
129.01938	17.4
133.02948	1.5
134.03761	1.7
135.04604	1.3
136.01598	1.3
138.97054	8.2
141.01910	3.7
150.03284	1.1
151.03943	1.9
154.96507	1.6
159.02974	2.8
180.58823	1.0
191.05664	8.9
192.06575	1.3
209.06606	4.2
210.99092	1.9
238.98663	11.4
241.00308	5.8
245.92247	1.3
251.16489	3.9
256.99689	21.3
259.01187	4.4
343.10425	2.9
414.84821	1.3
429.21286	11.4
430.21548	1.9
430.66745	1.2
459.22299	3.9
539.21497	1.2
621.27576	79.5
622.27740	15.0
701.23193	100.0
702.23560	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	699.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62752	0.9
57.03420	2.3
59.01373	7.0
61.98826	11.3
71.01377	7.7
71.62482	1.6
72.99252	3.1
73.02909	1.6
75.00820	3.3
78.95857	1.0
79.95732	34.1
80.96512	16.9
83.01327	3.3
85.02932	5.7
87.00404	1.2
87.00864	16.7
89.02408	2.1
94.98021	2.3
95.95227	6.1
96.96004	100.0
99.00811	2.9
101.02383	4.3
110.97571	37.3
111.00871	15.8
113.02364	4.2
115.00299	2.3
120.95916	2.1
127.00261	2.6
129.01918	7.4
134.03616	3.4
137.02356	1.5
138.97061	4.8
145.01349	1.7
149.06003	1.2
154.96396	1.1
159.02928	2.2
177.03970	1.7
210.98978	3.2
238.98665	18.1
241.00177	9.0
256.99698	51.9
257.99933	2.1
279.75058	1.1
413.21475	2.2
490.18271	1.4
493.17325	1.5
526.49042	1.0
535.10956	1.2
535.18024	6.0
565.19067	3.2
655.24109	1.8
681.20618	61.9
682.21106	11.7
694.80634	1.3
699.21875	46.2
700.22046	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	695.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53857	1.2
54.36579	1.3
59.01375	100.0
60.01697	1.4
61.98830	5.9
71.01374	18.4
71.62816	1.7
72.99299	4.5
73.02955	2.1
75.00858	4.8
77.55029	1.1
78.95956	1.2
81.79652	1.2
85.02942	7.2
87.00882	2.4
87.04489	2.1
89.02438	20.8
95.01410	1.5
96.96010	16.0
99.00945	1.5
101.02433	9.8
108.65670	1.1
111.00880	1.2
113.02455	7.1
115.00359	1.4
119.03484	6.4
125.02433	1.9
131.03462	1.3
161.04608	1.7
179.05595	3.5
197.92598	1.5
230.08206	2.4
337.18304	1.8
358.34247	1.5
392.85934	1.2
451.06750	1.4
465.24826	1.8
473.28760	1.5
499.34125	1.5
505.48788	1.3
525.79504	1.4
565.47375	1.3
635.37897	56.7
636.38336	10.5
695.31445	12.6
696.31384	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	697.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01716	0.7
61.48235	0.3
61.98821	1.8
68.99171	0.3
71.62264	0.4
79.95802	0.5
96.96027	1.2
121.02963	2.0
191.03583	0.8
209.04623	1.7
383.07983	0.5
435.13470	0.5
503.31784	0.4
540.74823	0.4
586.85608	0.4
593.12854	0.8
598.42352	0.4
641.48474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27621	0.6
55.02919	0.6
61.98829	4.8
71.61932	0.5
96.96030	1.2
118.96313	0.5
163.32755	0.6
196.27022	0.6
197.02188	9.6
247.74377	0.6
349.27609	1.0
368.02682	0.6
375.26483	0.8
393.27679	1.2
421.31186	1.0
499.34238	100.0
500.34595	18.7
697.37085	26.8
698.37494	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	698.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91712	0.3
59.01365	2.3
60.01706	0.3
61.98824	100.0
69.44618	0.7
69.45026	1.4
89.33757	0.3
149.57301	0.3
149.60721	0.2
156.88300	0.3
172.11444	0.3
192.95332	0.3
279.12363	0.3
362.08786	0.3
698.32709	0.9
720.70435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
57.03435	1.8
58.00581	1.7
59.01374	35.4
60.01704	0.5
61.47133	0.4
68.99812	0.5
69.03465	1.1
71.01376	39.6
72.01721	0.6
72.98966	0.5
72.99305	2.8
73.02942	11.7
75.00854	0.8
79.95735	2.1
83.01366	4.4
85.02946	12.6
87.00874	2.7
89.02435	26.8
95.01373	2.0
96.96004	5.5
97.02938	1.3
99.00867	12.3
99.04523	1.0
101.02435	20.7
103.22404	0.4
111.00922	2.3
113.01685	0.7
113.02441	10.8
114.22488	0.5
115.03999	1.4
119.03487	5.0
125.02417	3.2
129.01941	1.4
131.03494	1.9
134.03668	0.5
136.01624	1.3
137.02481	0.4
143.03502	1.0
149.04543	3.1
151.03996	1.4
159.02998	0.8
160.01605	1.3
161.02443	0.6
161.04529	1.0
175.03976	1.4
179.05583	0.8
191.05608	1.7
193.05035	1.5
209.06757	0.7
229.89479	0.7
233.06679	1.2
238.98668	0.6
241.00142	0.7
244.49997	0.4
256.99704	1.2
291.49417	0.5
293.08890	0.7
310.10709	0.8
314.01062	0.6
328.11853	0.5
344.18652	0.5
357.18793	0.5
360.09537	0.6
399.23715	1.6
442.65933	0.4
487.19107	0.9
496.47818	0.5
499.14960	0.7
531.28021	5.1
531.82935	0.5
532.28503	1.0
561.29138	10.5
562.29456	1.2
693.33331	100.0
694.33649	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	694.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03444	0.3
57.82909	0.1
59.01365	0.2
59.19081	0.1
61.27084	0.1
61.98824	100.0
62.98526	0.2
67.01855	0.1
71.01374	0.3
71.62231	0.1
72.99310	0.2
73.28385	0.1
75.00861	2.1
75.01279	0.1
76.28765	0.1
85.02943	1.8
87.00883	0.2
95.01386	0.2
99.00867	0.1
113.02446	1.0
115.00357	0.1
117.02011	0.1
157.01442	0.1
175.02533	0.1
290.17828	0.1
347.50977	0.1
453.34375	0.1
455.35318	0.5
456.35660	0.1
509.36243	0.1
555.36707	0.2
631.38403	12.0
632.38745	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	695.24
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47578	0.2
59.01375	3.5
60.59071	0.2
61.98825	1.3
71.01384	1.7
71.62431	0.2
83.01411	0.4
84.79515	0.2
85.02940	0.7
85.06593	0.9
86.74326	0.3
87.00896	0.4
89.02438	1.6
92.53345	0.2
93.03436	0.4
95.01394	0.3
95.05034	0.4
96.95988	1.4
99.00871	0.2
101.02445	1.1
113.02428	0.8
113.06105	0.3
119.03518	0.7
121.02951	0.5
122.03715	0.5
123.04514	63.9
124.04861	2.7
131.07127	3.8
134.19170	0.2
135.04539	1.1
136.99103	0.2
137.02444	0.4
153.05560	100.0
154.05891	4.1
161.02458	0.3
179.03467	0.5
205.53772	0.3
209.06714	0.6
293.12384	10.4
294.12784	0.6
331.62292	0.3
357.11887	23.2
358.12268	2.2
588.42834	0.3
695.19574	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	695.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83800	0.2
59.01377	100.0
60.01707	0.9
61.98829	2.1
62.96396	0.2
63.77745	0.2
65.44018	0.2
68.74035	0.2
69.71509	1.1
72.49085	0.2
78.95901	7.9
93.30120	0.2
149.00063	0.3
194.30464	0.2
205.15964	0.7
223.65088	0.2
227.32286	0.2
285.12457	0.3
294.35709	0.2
305.98651	0.2
308.83569	0.2
447.13510	0.3
653.30353	0.5
695.31128	37.2
696.31427	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	693.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03450	3.0
58.00585	0.9
59.01375	26.2
61.98790	1.3
67.01907	0.7
69.03456	1.2
69.94377	1.3
69.94768	1.4
71.01378	31.1
72.01709	0.8
72.99305	2.7
73.02941	9.0
75.00878	1.8
76.97003	0.5
79.95730	16.5
80.96511	16.5
81.03438	0.7
83.01378	5.7
84.64204	0.5
85.02949	12.8
85.39706	0.5
86.64051	0.6
87.00868	7.6
89.02439	17.2
94.98072	1.8
95.01385	1.8
96.96005	74.3
97.02932	3.0
99.00866	10.1
101.02437	14.9
103.00384	0.8
111.00873	15.4
113.02432	9.0
115.00351	1.0
115.03982	1.1
119.03498	2.7
120.96003	2.8
122.63594	0.6
125.02424	2.0
127.00336	2.6
129.01927	8.9
131.03503	1.8
134.03795	1.0
136.95425	0.9
138.97050	6.1
141.01897	0.7
143.03416	0.8
149.04547	1.9
150.97185	0.6
154.96524	2.1
159.02983	3.8
161.04515	2.2
164.64499	0.6
166.96536	1.3
167.00230	1.1
175.03979	0.7
177.04060	1.4
192.98100	1.1
193.02286	0.6
194.05595	0.5
209.06467	0.6
210.99184	3.5
233.06639	0.6
238.98657	21.6
239.99057	0.8
241.00224	9.8
256.99716	67.9
257.99985	2.2
259.01218	0.7
360.09833	1.8
360.60056	0.9
361.10522	1.3
399.23898	1.2
479.19873	0.8
493.24808	0.6
513.26984	1.2
531.28265	1.3
561.29181	5.9
657.24164	6.5
658.24377	0.8
693.22095	100.0
693.33551	67.9
694.22418	19.3
694.33923	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	693.242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	1.7
59.01375	27.8
70.21683	1.2
70.78067	3.7
71.01372	2.7
79.95740	4.8
86.07020	1.2
96.96003	84.7
98.95546	1.6
115.95366	1.4
124.70210	1.1
131.27731	1.2
132.04840	3.5
155.83972	1.2
170.96576	1.1
225.11281	21.9
278.53452	1.7
295.05649	1.2
305.06992	100.0
305.10495	9.6
306.07297	8.7
307.07007	1.8
693.23376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26293	0.4
57.03431	0.6
59.01373	3.8
61.82851	0.3
69.03466	0.5
71.01382	2.5
72.99319	0.4
73.02985	0.4
79.01837	0.3
79.95732	1.8
80.05074	0.9
80.96496	0.6
85.02959	1.7
87.00878	1.7
89.02444	1.0
89.03973	0.4
94.02978	2.8
94.06625	0.4
95.95221	0.7
96.96000	5.3
97.02969	0.5
98.95611	0.4
101.02435	1.3
102.92319	0.3
104.02633	0.4
104.05098	0.5
106.06602	0.7
107.03776	0.9
108.04549	0.6
108.08154	0.3
111.00864	0.5
113.02444	1.6
117.03457	1.1
119.03561	0.4
119.05013	4.6
122.06116	4.3
129.01944	1.0
132.02158	23.0
133.02663	0.6
134.03731	15.9
134.06097	1.6
135.04413	0.5
136.07744	0.6
137.02449	0.5
138.05685	0.8
141.01967	0.6
147.04471	0.8
148.05244	0.4
149.06065	1.9
152.07152	8.9
159.02974	0.8
160.01642	80.7
161.02045	3.4
163.03998	2.3
174.05562	0.6
175.03979	100.0
176.04341	5.4
178.02684	1.4
179.03487	0.6
180.06657	1.4
182.08577	0.4
188.07166	3.0
191.07115	1.2
193.05032	14.6
194.05316	0.5
207.06653	1.2
209.06607	3.3
211.08728	0.9
217.05075	0.4
221.25610	0.3
225.10352	0.7
227.07637	0.6
227.11958	0.6
227.57756	0.4
228.07475	0.5
228.57753	0.4
235.06052	3.3
238.07555	0.6
238.98790	0.4
239.11780	0.4
241.00282	0.4
245.12877	0.7
249.10135	0.4
251.11812	0.5
252.08914	0.7
253.09779	1.4
256.99619	1.0
264.08566	0.4
265.07108	1.2
267.11261	1.1
277.09763	0.6
279.07758	0.6
279.11237	0.6
281.09302	0.4
293.09268	0.7
294.09970	0.9
295.08087	1.0
295.10870	7.5
296.11194	0.6
307.10922	2.3
323.10287	0.7
336.12888	0.8
337.09393	3.0
338.09433	0.6
352.10660	0.4
352.61148	0.9
353.11096	1.1
353.61053	0.6
355.10217	0.9
360.09854	5.9
360.60114	1.5
367.10287	2.7
432.19522	0.4
460.18655	6.3
461.18906	0.9
463.20090	0.5
476.18173	0.6
499.14578	7.0
500.14975	0.7
502.83932	0.4
504.17743	18.1
505.18042	2.7
517.15588	13.9
518.15771	1.6
536.20313	18.4
537.20740	2.5
643.24005	0.5
661.24762	0.5
693.20068	16.1
693.29315	1.1
694.20569	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36169	0.2
55.01883	1.8
57.03181	0.4
57.03447	6.2
59.01378	3.4
60.99302	0.8
63.46729	0.3
67.01871	0.8
68.99809	1.0
70.76175	0.6
71.01379	6.8
72.99310	3.3
73.02934	0.8
75.00868	38.5
76.01212	0.5
83.01389	1.6
84.02165	0.3
85.02945	27.8
86.00094	0.5
86.03304	0.6
87.00882	2.2
89.02429	0.7
95.01365	3.2
95.01907	0.4
96.96017	0.6
97.02929	0.5
99.00863	2.5
101.02455	0.3
111.00907	0.7
112.01649	1.0
113.02445	12.1
114.02721	0.3
115.00375	0.9
116.01141	0.8
117.01941	1.0
129.01959	1.2
157.01396	1.1
175.02435	0.7
313.90411	0.3
391.26364	1.0
393.27945	0.8
421.31464	0.3
432.77765	0.3
447.63986	0.3
451.32098	0.4
504.92844	0.3
507.30637	1.4
508.31711	0.4
673.36133	0.5
691.36890	100.0
692.37244	22.7
692.49756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01360	0.6
68.61839	0.4
71.01384	1.2
71.63051	0.9
72.99295	0.8
79.95752	0.6
81.55213	0.4
84.04561	1.4
85.02930	2.9
85.65900	0.4
87.00874	1.0
87.02744	2.4
96.96006	11.2
97.02965	0.8
99.00873	0.5
117.03485	0.7
125.87115	0.4
127.14770	0.5
128.03568	0.6
129.01933	1.8
131.05362	1.7
133.06924	100.0
134.03732	6.1
134.07251	2.9
145.02997	0.6
149.05977	0.7
169.01393	0.6
191.05701	0.7
193.05005	3.9
209.06625	4.6
218.83301	0.4
220.10225	2.2
222.85919	0.5
262.11145	53.4
263.11469	2.9
263.97321	0.5
305.10632	3.8
306.10800	3.2
367.59177	0.5
385.11395	11.3
385.16101	1.0
386.11819	1.7
477.59671	0.5
595.23041	0.8
600.81854	0.5
697.59314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14011	0.5
55.01868	1.6
57.03443	5.1
58.00583	1.2
59.01374	38.1
61.98832	0.5
67.01893	0.8
68.99812	1.5
69.03449	3.8
71.01376	31.2
71.63044	0.6
72.99303	5.5
73.02948	5.8
75.00864	1.7
75.71960	0.5
79.95730	13.7
80.96508	5.6
83.01374	4.8
85.02431	1.2
85.02946	20.2
86.00077	0.5
87.00858	5.2
87.04512	2.5
89.02437	13.0
92.99737	0.4
95.01364	2.5
96.14633	0.5
96.96003	69.8
97.02936	5.2
99.00878	5.0
99.04491	1.2
100.80234	0.4
101.02435	21.0
103.04022	0.5
109.94540	0.5
111.00900	2.4
112.07884	0.5
113.02443	10.8
115.03989	2.1
119.03479	4.4
122.97521	0.5
125.02435	1.1
129.01927	6.4
134.03725	0.6
135.04469	0.6
137.06146	0.4
137.96283	0.6
138.97078	4.0
141.01926	2.1
144.55588	0.5
149.04524	0.6
150.97014	0.7
159.02983	1.2
161.04530	1.8
166.96571	0.5
191.05559	5.7
193.05112	0.6
205.12218	0.6
209.06656	1.3
219.48355	0.5
233.15475	0.6
235.17017	6.1
241.00217	6.9
251.16422	1.4
256.99734	1.0
269.21344	0.8
395.20609	1.3
413.21518	2.6
427.23325	2.4
431.26544	8.0
432.26605	0.8
449.27005	0.6
455.22781	8.7
456.23032	1.6
467.23203	2.8
555.23486	0.6
563.28925	0.5
597.25037	2.4
605.28046	1.5
611.32709	1.7
647.29108	56.4
648.29468	10.8
659.89343	0.5
691.28375	100.0
692.28802	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.1
61.98821	0.4
71.14266	0.5
79.95704	0.3
82.02957	0.4
83.05026	0.5
94.02986	1.7
96.96019	2.0
97.14925	0.2
98.02475	0.6
101.02399	0.4
104.43569	0.3
107.05022	0.3
108.04544	2.4
120.04533	0.6
121.05363	0.2
122.06112	8.6
124.04025	0.9
132.04520	0.4
133.04059	0.4
134.06108	1.1
135.06885	0.5
136.04034	3.6
136.07674	8.3
137.08055	0.3
138.05608	2.3
146.06113	0.3
148.04083	0.4
149.54601	0.3
150.05598	7.5
151.05893	0.4
152.07162	2.5
153.68172	0.3
158.02496	0.3
159.11710	0.3
163.08752	0.7
164.07207	0.2
166.54903	0.2
169.10172	0.3
172.07648	0.3
174.09201	0.9
176.03488	0.6
186.09248	2.5
187.11261	0.8
188.10823	0.5
190.05034	1.0
200.05960	0.5
200.10823	0.3
201.06575	2.0
202.07147	1.6
202.08850	0.9
202.12338	1.6
212.10849	1.6
213.06364	0.4
213.08173	0.3
214.07413	1.0
215.08153	1.8
216.09081	0.4
228.10298	2.8
229.09770	12.8
230.12004	7.2
231.11638	0.6
240.09021	0.9
241.00345	0.3
241.09756	0.3
243.07774	0.4
244.08415	0.7
245.09297	4.0
245.12804	0.9
246.09332	0.3
255.11349	4.1
257.09262	5.1
258.09976	1.4
259.10724	0.6
263.10339	0.4
273.12411	17.5
274.12759	1.1
275.10226	1.5
291.13452	0.4
299.10211	0.7
309.03647	0.3
317.11377	14.6
318.11636	1.8
334.11627	0.9
335.12445	100.0
336.12759	8.7
355.12888	1.9
356.12823	0.3
375.37436	0.3
421.14453	0.3
421.65253	0.3
493.86703	0.3
587.21869	0.4
599.21454	0.4
631.24207	0.5
659.24054	0.3
691.27271	1.2
692.28143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01726	0.9
55.02018	0.9
57.03278	2.6
57.03598	3.2
58.00471	0.5
58.00703	0.5
59.01196	11.9
59.01531	15.5
67.01681	0.5
67.02052	1.0
68.99590	0.6
68.99997	1.3
69.03205	2.0
69.03637	3.3
70.94513	0.3
71.01122	8.4
71.01563	15.1
72.01850	0.3
72.99025	2.1
72.99499	3.8
73.02670	2.2
73.03132	4.1
75.00652	0.6
75.01044	0.7
79.95415	1.3
79.95942	2.5
80.96709	1.0
83.01031	1.4
83.01589	3.5
84.01903	0.3
84.02359	0.5
85.02580	7.3
85.03165	18.2
86.00249	0.4
86.03463	0.5
87.00489	1.9
87.01087	5.0
87.04143	0.6
87.04737	1.8
89.02036	1.2
89.02658	3.7
92.03953	0.3
95.00948	0.7
95.01619	1.5
95.95428	0.3
96.39697	0.3
96.95135	0.6
96.95538	4.2
96.96244	14.2
97.02474	2.1
97.03179	6.8
98.95776	0.4
99.00381	1.7
99.01110	5.3
99.04747	1.0
101.01930	2.4
101.02682	8.4
105.98840	0.3
111.00301	0.5
111.01134	2.5
113.01826	1.5
113.02699	7.0
115.03392	0.6
115.04262	2.9
119.03760	1.2
125.02602	0.5
129.01143	1.5
129.02214	8.6
138.97263	0.7
141.02222	2.7
143.03690	0.6
145.89674	0.4
150.03360	0.3
150.55388	0.3
159.03244	1.4
161.03745	0.3
161.04884	1.1
173.04813	0.5
179.05933	0.5
191.05936	6.9
192.06190	0.4
204.18506	0.3
209.05212	0.4
209.06990	1.3
219.77919	0.3
229.16809	0.3
233.15828	0.5
235.14861	0.7
235.17003	12.1
236.17731	1.1
239.95454	0.3
241.00586	1.6
251.16487	2.4
290.66171	0.3
351.00220	0.3
395.20926	1.3
413.21750	4.9
414.22293	0.7
427.23267	4.5
428.24103	0.6
431.26416	2.8
437.21869	0.5
449.27957	0.4
455.22842	14.8
456.23407	1.4
467.23328	1.0
479.04453	0.3
597.25421	4.5
598.25543	0.9
605.27905	2.3
611.32977	0.7
647.29132	100.0
648.29456	20.8
691.28363	26.9
692.28613	5.3
692.39752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82634	0.6
57.03427	1.1
59.01366	1.9
61.98803	1.4
67.01880	1.3
67.17310	0.7
68.99809	1.9
71.01374	5.5
71.31401	1.6
72.99309	4.8
73.02965	0.9
75.00865	52.9
78.98646	0.8
80.96508	2.3
83.01390	1.4
85.02942	9.5
87.00845	1.2
94.98071	1.0
95.01366	5.4
96.95947	1.1
96.97984	0.8
99.00864	6.6
111.00872	2.1
112.01654	2.2
113.02442	14.2
117.01945	2.7
122.44902	0.7
129.01909	1.1
139.99237	0.8
142.06337	0.8
148.40073	0.8
157.01407	2.2
164.98557	1.2
198.89607	0.8
233.02937	4.2
299.04449	6.7
304.46082	0.7
317.71661	0.8
453.33670	2.7
455.35294	3.3
551.37396	0.9
577.26752	2.4
627.39307	0.9
645.39630	0.8
689.38971	100.0
690.39331	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	689.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44569	2.8
51.66870	3.1
53.22530	3.2
56.52163	2.6
59.01384	15.5
61.98825	8.9
64.96076	3.3
71.01369	13.7
71.62474	3.7
78.95907	3.4
83.01379	3.0
83.53268	2.8
89.02441	11.6
92.40444	2.6
96.95969	5.1
97.02920	2.6
101.02451	11.6
113.02451	4.8
119.03526	6.4
134.20651	3.0
135.01036	3.0
137.72235	3.3
235.08238	6.4
255.23289	43.8
256.23517	3.4
294.03986	3.3
305.08929	4.2
397.13446	100.0
398.13797	10.0
415.14478	23.3
478.00348	3.1
581.79395	3.6
608.36841	3.6
653.37177	11.6
689.35114	95.0
690.35327	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	689.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.4
61.98816	13.6
66.36584	5.1
69.53358	43.0
71.01381	17.8
78.80574	5.3
89.02447	10.4
96.95989	12.4
101.02443	10.5
117.84184	5.5
125.02345	6.3
255.23286	43.3
397.13458	100.0
415.14456	39.4
653.37158	11.9
689.35126	87.4
690.35382	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	689.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55462	0.7
55.01865	1.7
57.03437	3.8
59.01376	3.4
61.98829	1.6
65.63605	0.6
66.72257	0.8
68.99814	1.3
71.01373	6.0
71.57536	0.9
72.99300	3.0
74.66234	0.7
75.00871	20.4
75.30485	0.7
83.01365	1.6
85.02946	20.5
87.00882	3.7
89.02407	0.9
95.01369	2.9
96.95991	4.0
97.48048	0.6
99.00868	2.8
102.19365	0.8
111.00878	0.9
112.01678	1.0
113.02443	10.1
116.01138	2.1
117.01939	2.1
129.01891	2.0
132.21271	0.8
257.16217	0.7
323.02890	0.7
358.28543	0.8
372.98157	0.7
409.27298	1.8
467.31540	8.0
468.31854	1.3
509.28204	1.0
513.32239	2.5
527.30377	1.1
567.33032	2.6
653.24548	0.9
689.35333	100.0
690.35730	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	687.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	6.9
62.09288	2.2
67.05508	2.2
71.05030	3.2
71.19857	4.3
78.95905	2.8
79.73331	2.0
84.92915	2.0
86.29028	2.0
96.16949	1.9
96.96001	2.5
100.40981	2.4
115.47614	2.1
116.07165	31.4
125.03537	3.0
129.10316	4.6
129.66724	2.0
130.08699	3.0
140.07167	4.9
143.11928	3.5
144.10272	17.2
153.10330	3.2
154.24918	2.2
182.10489	4.3
192.64372	2.1
198.11345	3.6
208.13409	5.9
209.09282	3.1
210.14964	6.9
212.13177	2.7
225.16055	68.0
226.16351	2.2
239.10304	2.1
267.17352	2.1
299.23532	2.2
325.21268	100.0
326.21558	7.3
343.22406	16.7
420.11273	2.3
424.28204	5.5
442.29135	54.8
443.29462	4.9
452.69534	2.3
456.30783	3.4
651.43097	13.4
652.43542	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	689.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.8
71.28482	1.6
75.00861	1.5
85.02934	0.9
92.15867	0.7
96.95998	3.3
104.08973	0.6
108.02167	6.0
109.02928	1.9
113.02431	0.8
113.57549	0.8
121.02953	4.3
122.03754	3.6
123.04494	3.4
124.01675	0.8
134.03731	26.9
135.04556	5.9
137.02420	1.2
142.62360	0.8
148.04010	1.0
149.02463	1.1
149.04893	1.0
149.06067	13.5
153.11633	0.8
154.02701	1.1
163.03891	0.8
174.05605	1.8
177.06699	0.9
178.05026	1.1
192.06593	1.3
237.05650	0.9
239.07074	2.3
251.07050	1.5
252.07817	2.0
263.07086	1.6
264.07892	2.5
267.06555	7.0
268.07059	1.2
279.06567	1.2
280.07217	1.1
281.08142	1.5
282.09085	7.9
283.09552	3.1
284.49292	0.8
296.10397	1.9
297.11328	12.0
298.10870	2.7
308.09390	1.8
312.12326	2.0
338.10318	0.9
402.13193	2.1
428.14685	2.1
432.13727	6.9
433.14587	1.0
443.13617	1.3
446.16000	0.9
447.16382	1.0
458.15970	2.2
460.08270	1.0
460.18057	15.6
461.18024	2.2
462.19272	6.7
463.19342	1.1
475.16473	5.8
476.16434	1.3
490.18668	9.9
491.19083	1.0
501.16473	2.5
503.18430	1.4
581.26459	1.8
621.22394	10.2
622.22449	2.4
653.24982	100.0
654.25238	22.0
689.35248	3.9
690.35297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3969
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
53.94139	0.5
57.03438	2.7
59.01131	0.5
59.01376	5.6
61.98811	0.9
62.27656	0.5
62.55500	0.4
67.25080	0.4
69.03448	1.5
69.32551	0.9
69.32954	3.7
71.01377	7.1
72.99287	2.5
73.02939	1.4
75.00865	1.1
79.95721	3.8
80.96510	1.9
81.95319	0.8
83.01382	1.6
85.02942	8.3
86.03290	0.7
87.00876	4.0
87.04491	1.3
88.04635	0.5
89.02436	6.8
96.96004	18.1
97.02929	2.0
97.06564	0.5
98.95603	2.2
99.00887	1.7
99.04455	0.7
101.02434	3.0
111.00873	2.9
113.02444	2.5
115.04007	1.3
119.03462	0.6
120.99613	0.7
123.08219	0.5
129.01932	4.5
129.89154	0.5
132.77567	0.5
134.03746	0.7
135.08127	0.8
136.05316	0.5
136.07690	0.4
137.06061	0.6
137.09703	0.6
138.05592	0.5
138.97069	1.5
141.01930	0.5
149.06088	3.8
149.09705	0.6
150.06850	35.9
151.07265	1.5
155.10742	0.6
159.02890	0.6
159.94693	0.5
161.09718	0.9
163.07626	7.4
164.08418	7.3
177.09143	0.9
178.09985	2.5
179.10759	16.1
180.11098	0.9
191.05661	2.7
193.05064	0.8
193.08649	0.5
209.06657	1.0
210.99083	0.7
235.16956	1.3
237.18561	5.3
238.98735	2.4
241.00256	1.1
242.99487	0.6
253.18047	2.2
256.99677	5.4
259.01205	1.0
343.24780	0.8
345.22763	3.9
363.12515	0.5
367.10156	0.7
385.11490	1.0
415.23297	5.1
420.28687	0.5
434.30295	1.4
435.31030	1.4
445.24219	0.5
461.32584	0.8
462.33197	0.5
464.31357	4.6
465.31918	0.6
478.32864	1.3
479.33694	7.4
480.34241	0.7
506.32169	1.5
507.33157	1.7
524.33435	2.7
525.34253	25.2
526.34595	4.3
539.45221	0.5
605.28101	2.7
606.28784	0.8
607.29370	19.0
608.29749	3.4
687.25116	25.9
687.39410	100.0
688.25580	5.3
688.39740	21.5
688.51941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2535
Annotation	Halistanol sulfate
Peak:m/z	Relative Intensity
55.01857	0.7
57.03437	1.1
57.10435	0.6
58.00569	0.9
59.01374	26.2
61.98807	1.2
69.03415	0.6
71.01376	19.3
71.63185	0.7
72.99292	2.6
73.02936	1.8
75.00857	0.7
79.95732	13.7
80.96514	3.9
83.01376	2.0
85.02946	5.3
87.00854	2.5
89.02443	15.6
90.00177	0.7
95.01379	1.2
95.95219	1.5
96.96001	54.2
97.02914	0.8
98.95592	1.8
98.96347	0.7
99.00865	0.9
101.02433	14.2
111.00866	1.5
113.02437	7.8
116.98138	0.7
119.03495	5.9
119.28736	0.6
120.01190	1.8
129.01924	1.3
134.03682	0.9
137.38467	0.8
137.69482	0.6
138.97040	2.8
149.06114	0.6
150.03249	0.7
150.97020	0.7
153.01859	0.9
163.07588	0.6
165.05550	0.9
169.15176	0.7
191.05618	0.7
238.98708	1.0
241.00256	7.1
247.16951	0.7
256.99649	1.4
361.10580	3.3
361.60742	1.1
371.11789	0.9
413.21664	1.3
427.23462	7.5
440.94318	0.7
463.19757	2.5
491.19064	1.2
605.27905	0.7
607.28912	5.2
643.29901	0.9
687.25171	100.0
688.25616	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	687.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52299	4.7
59.01361	19.0
71.01383	9.6
71.62096	6.1
75.00866	11.4
87.00885	5.3
89.02431	14.2
90.77448	4.6
95.66721	4.2
96.95959	6.5
100.07955	4.7
101.02442	9.8
113.02419	10.1
116.28941	6.1
125.02438	7.5
142.53662	4.4
151.80605	4.8
158.48058	4.7
185.84846	4.6
253.21652	54.5
319.47003	5.2
397.13416	96.5
398.13821	9.5
415.14493	31.3
607.78748	5.4
651.35596	13.3
668.12598	5.1
687.33490	100.0
688.34192	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94139	0.5
57.03438	2.7
59.01131	0.5
59.01376	5.6
61.98811	0.9
62.27656	0.5
62.55500	0.4
67.25080	0.4
69.03448	1.5
69.32551	0.9
69.32954	3.7
71.01377	7.1
72.99287	2.5
73.02939	1.4
75.00865	1.1
79.95721	3.8
80.96510	1.9
81.95319	0.8
83.01382	1.6
85.02942	8.3
86.03290	0.7
87.00876	4.0
87.04491	1.3
88.04635	0.5
89.02436	6.8
96.96004	18.1
97.02929	2.0
97.06564	0.5
98.95603	2.2
99.00887	1.7
99.04455	0.7
101.02434	3.0
111.00873	2.9
113.02444	2.5
115.04007	1.3
119.03462	0.6
120.99613	0.7
123.08219	0.5
129.01932	4.5
129.89154	0.5
132.77567	0.5
134.03746	0.7
135.08127	0.8
136.05316	0.5
136.07690	0.4
137.06061	0.6
137.09703	0.6
138.05592	0.5
138.97069	1.5
141.01930	0.5
149.06088	3.8
149.09705	0.6
150.06850	35.9
151.07265	1.5
155.10742	0.6
159.02890	0.6
159.94693	0.5
161.09718	0.9
163.07626	7.4
164.08418	7.3
177.09143	0.9
178.09985	2.5
179.10759	16.1
180.11098	0.9
191.05661	2.7
193.05064	0.8
193.08649	0.5
209.06657	1.0
210.99083	0.7
235.16956	1.3
237.18561	5.3
238.98735	2.4
241.00256	1.1
242.99487	0.6
253.18047	2.2
256.99677	5.4
259.01205	1.0
343.24780	0.8
345.22763	3.9
363.12515	0.5
367.10156	0.7
385.11490	1.0
415.23297	5.1
420.28687	0.5
434.30295	1.4
435.31030	1.4
445.24219	0.5
461.32584	0.8
462.33197	0.5
464.31357	4.6
465.31918	0.6
478.32864	1.3
479.33694	7.4
480.34241	0.7
506.32169	1.5
507.33157	1.7
524.33435	2.7
525.34253	25.2
526.34595	4.3
539.45221	0.5
605.28101	2.7
606.28784	0.8
607.29370	19.0
608.29749	3.4
687.25116	25.9
687.39410	100.0
688.25580	5.3
688.39740	21.5
688.51941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17736	0.9
55.01858	1.5
57.03432	3.8
58.00572	2.2
59.01377	53.2
60.01685	1.5
61.98820	3.2
65.60806	1.1
67.01872	1.1
68.99802	1.5
69.03443	6.2
71.01376	36.9
71.63141	1.5
72.99300	12.2
73.02960	1.6
79.01892	5.1
79.95742	7.5
80.96510	1.1
83.01390	4.1
85.02944	17.2
87.00867	6.2
89.02437	26.3
89.03945	1.2
95.01369	3.0
96.96007	12.7
97.02956	5.9
99.00883	3.8
101.02431	22.6
108.02102	1.3
111.00852	4.5
113.02444	11.7
115.03952	1.3
117.03439	4.7
119.03506	10.3
120.01245	2.8
121.02895	1.1
123.04548	1.1
129.01933	6.7
131.03477	1.1
132.02130	3.1
133.03011	1.6
134.03728	84.4
135.04208	1.8
137.02411	2.6
139.07640	17.2
141.01875	3.7
147.04453	1.2
149.06064	14.4
153.01851	1.1
155.03543	4.7
157.08656	2.7
157.77432	1.0
159.02960	3.6
160.01636	21.0
161.02223	2.1
173.04538	8.7
175.02490	1.7
175.03970	25.1
176.04599	1.2
178.02669	4.2
179.03415	1.3
191.05580	10.1
191.07097	2.1
192.54683	1.1
193.05037	65.4
194.05304	3.9
205.28593	1.0
209.06627	10.4
217.08751	1.4
233.08118	3.0
235.06093	2.1
238.98663	1.8
245.08012	1.2
256.99646	2.4
261.07587	1.5
273.07513	1.1
295.58163	1.1
303.67706	1.0
319.13937	88.9
320.14246	6.0
335.07559	3.6
360.09763	9.7
360.60043	8.9
361.10178	2.1
367.10291	78.6
368.10669	7.1
385.11316	12.6
445.15149	1.2
463.20029	1.4
479.19644	1.3
493.18958	1.6
494.91116	1.2
511.20316	9.7
512.20453	1.5
529.66437	1.0
632.75317	1.2
637.21783	2.4
687.24860	100.0
688.25134	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98825	100.0
62.98524	0.2
66.23094	0.1
70.94032	0.2
70.94376	0.2
71.01398	0.3
72.99315	0.4
75.00856	0.3
75.19215	0.1
79.95731	0.2
85.02963	0.2
89.02486	0.2
96.96019	1.1
98.96518	0.1
113.02457	0.1
129.01918	0.1
151.03905	0.1
193.04990	0.1
236.34097	0.1
255.23283	0.2
262.23712	0.1
466.57996	0.1
477.22519	0.2
623.23615	0.3
686.22113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	4.0
69.48175	12.2
69.48579	5.0
69.92298	2.5
71.33838	2.4
78.95906	3.1
97.34609	2.4
255.23267	9.1
289.50342	2.4
303.09189	13.8
381.88141	3.0
419.12140	35.7
630.74139	2.5
687.24481	100.0
688.24829	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	687.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03440	2.6
58.00574	1.9
58.75891	0.9
59.01374	53.0
63.64447	0.8
65.11575	0.7
68.99810	1.4
69.03444	5.2
69.70478	2.6
69.70903	2.3
71.01376	36.6
72.99299	12.5
73.02926	2.2
79.01871	4.4
79.95732	9.2
80.96513	1.3
83.01377	4.1
85.02947	17.7
87.00861	7.0
89.02432	26.2
89.03951	2.0
95.01360	3.5
96.96002	10.6
97.02940	5.4
99.00854	3.9
101.02434	19.9
108.02194	1.4
111.00860	3.8
111.04522	1.3
113.02448	11.9
115.04018	1.7
117.03442	5.6
119.03496	10.4
125.45049	0.8
129.01965	5.9
132.02176	4.0
133.02953	1.8
134.03729	85.1
135.04013	4.0
137.02419	3.2
138.97043	1.2
139.07657	17.1
141.01930	3.4
149.06055	11.9
155.03490	5.0
157.08690	1.8
159.02936	2.3
159.04266	0.9
160.01643	21.2
161.02232	1.4
173.04535	7.7
175.03979	23.0
176.04518	2.0
178.02698	4.2
181.74435	0.8
186.06953	0.8
191.05579	9.0
191.07083	2.0
193.05032	63.6
194.05321	2.6
209.06641	7.6
217.08669	1.5
233.08136	3.6
235.06131	3.2
238.98610	1.6
245.08217	1.6
256.99677	3.5
261.07672	1.4
275.05652	1.0
301.13104	1.0
319.13931	93.3
320.14157	7.1
335.07468	4.0
360.09909	17.2
360.59976	8.1
361.09906	2.7
367.10281	71.2
368.10474	7.9
385.11325	11.1
461.16577	3.5
463.19870	1.3
493.18973	1.6
511.20151	10.7
512.20306	1.7
637.20984	1.1
687.24951	100.0
688.25360	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	685.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.8
57.03441	3.4
58.00583	1.3
59.01376	29.3
59.62081	0.4
61.98827	0.5
67.04408	0.4
69.03444	0.7
71.01381	27.7
72.01704	0.6
72.99299	2.4
73.02937	5.6
75.00855	0.6
76.09361	0.4
79.95718	0.9
83.01393	4.6
85.02949	12.1
87.00866	2.4
87.04517	0.4
89.02443	15.1
93.03442	1.7
95.01389	2.9
96.96016	6.3
97.02946	1.4
99.00871	3.0
101.01765	1.0
101.02438	19.1
111.00863	3.0
113.02446	11.3
115.03983	0.5
119.03497	4.5
120.01251	2.5
120.99626	2.1
122.02467	0.7
122.99215	0.9
125.02433	0.5
129.01933	1.5
131.03502	0.5
134.02835	0.6
134.03746	7.0
135.04065	1.5
137.02470	2.5
141.01930	0.7
143.03519	0.9
149.06041	1.0
150.03188	0.6
153.01913	0.7
159.02971	1.9
160.01611	0.9
161.04512	1.6
171.13907	0.9
175.04051	0.6
179.05713	0.8
191.05609	1.2
193.05026	5.9
194.05402	1.7
195.05521	0.7
209.06607	2.5
210.06990	0.6
256.04980	0.4
352.10925	1.2
359.27872	0.6
360.09949	0.5
361.29565	5.4
362.29953	0.8
367.10190	3.0
368.10742	1.2
369.10660	1.0
385.11465	5.1
386.11743	2.2
387.12082	2.5
419.88275	0.4
523.34888	6.9
524.35181	1.2
555.35876	0.5
561.15686	0.9
563.16638	0.9
685.40082	100.0
686.22748	1.1
686.40485	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.0
61.98827	55.1
69.47530	6.6
71.01377	5.1
72.99294	1.5
73.02924	1.4
79.40604	0.8
79.47243	0.8
79.81049	0.8
79.95724	1.5
83.01387	0.8
85.02953	3.6
86.66386	0.7
87.00882	2.1
89.02432	2.0
93.03506	0.9
96.96014	6.9
97.02913	1.2
98.19901	1.7
99.00917	1.1
101.02448	1.4
107.01377	1.1
109.02930	4.3
111.00880	1.8
112.11279	0.7
113.02396	1.4
123.93945	0.9
129.01915	1.2
134.03728	1.4
135.04524	0.9
146.79953	0.8
150.03191	0.8
151.00317	3.3
153.01953	6.2
154.02191	1.5
161.02428	1.3
165.05620	0.8
197.84065	0.8
199.03943	3.7
215.03522	1.0
227.03430	2.6
242.02231	1.7
243.02943	13.0
244.03424	1.1
249.10007	0.8
255.02890	5.5
256.99768	1.0
257.04465	2.9
270.01688	2.5
271.02438	22.1
272.02884	2.0
285.03949	5.2
286.04678	2.0
287.05515	1.3
299.01929	30.0
300.02646	12.7
314.04303	42.5
315.05038	31.5
316.05444	2.1
325.10550	1.0
361.18661	2.4
493.22595	2.0
494.23410	0.9
623.16095	100.0
624.16467	17.0
685.29480	6.4
686.29852	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	685.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01364	2.1
64.37365	0.4
67.19057	0.4
70.52635	1.2
70.52976	0.4
71.01386	1.9
72.99312	0.6
73.02951	0.5
75.00856	1.1
78.95907	0.5
79.95722	3.0
80.65546	0.3
80.96503	0.9
83.01389	0.4
85.02957	2.5
86.54222	0.4
87.00869	1.4
89.02428	1.4
96.96005	17.6
97.02922	0.7
97.06582	0.5
98.95580	0.5
99.04519	0.6
101.02409	0.7
111.00868	0.8
111.04462	0.4
111.08147	0.7
113.02409	0.8
113.09764	0.4
121.02929	1.3
123.08151	1.3
127.11266	0.6
129.01921	0.9
134.03749	0.4
135.04527	0.5
135.08125	0.7
137.06111	0.5
141.09212	0.4
149.02589	0.4
149.06058	1.2
150.06854	23.6
151.07222	0.8
155.10768	0.8
159.03067	0.5
162.06790	0.5
163.07631	7.2
164.08412	4.4
165.05296	0.4
177.09088	0.5
178.09961	0.6
179.10762	12.0
180.11018	0.6
193.04938	0.4
209.04535	0.5
238.98630	0.4
241.00206	1.3
256.99692	1.9
257.13934	0.6
299.18542	0.4
320.19879	0.9
321.20236	0.4
335.22433	0.7
341.23526	1.9
343.21152	2.6
344.21756	0.6
364.22641	0.9
403.13220	0.9
403.63870	1.9
404.13968	2.5
404.64301	0.8
405.15054	1.0
413.21823	0.5
459.31012	0.6
462.29678	1.6
476.31232	1.2
477.32172	5.0
478.32571	1.1
504.30920	1.7
505.31680	2.0
522.31995	4.2
523.32678	19.3
524.32825	3.4
550.80121	0.5
605.27844	2.3
606.28571	0.4
612.41962	0.4
625.37958	0.8
662.74805	0.4
685.37939	100.0
686.26007	1.2
686.38269	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	685.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43795	0.7
55.01871	1.1
57.03447	6.1
59.01132	0.8
59.01379	8.9
68.99804	1.2
69.03442	4.5
70.22050	0.6
70.51481	0.6
71.01375	16.5
72.99296	5.8
73.02927	3.6
79.95730	14.1
80.96503	9.3
83.01389	6.2
85.02946	22.5
87.00874	10.0
87.04491	2.4
89.02436	2.3
94.98071	0.7
95.01381	2.2
95.95208	1.7
96.96002	54.4
97.02943	7.2
99.00872	9.1
99.04506	1.3
101.02440	8.7
111.00869	10.8
113.02431	8.0
115.03986	5.4
119.12202	0.7
120.95982	1.1
123.51702	0.7
124.33870	0.6
129.01929	17.2
130.02260	0.7
138.97040	5.9
141.01907	3.2
147.02910	0.7
159.02957	2.8
160.41479	0.6
161.04494	0.6
191.05579	6.7
205.83696	0.7
209.06577	1.0
210.99197	1.0
235.17000	12.5
238.98590	8.2
241.00169	4.6
251.16487	5.3
252.16594	0.6
256.99707	19.9
259.01208	5.5
267.83804	0.7
348.36560	0.6
392.62341	0.6
395.20483	0.9
413.21780	14.5
414.22141	1.7
427.23309	1.1
443.22797	4.1
555.24170	0.9
582.02765	0.8
605.28058	84.7
606.28448	14.6
685.23761	100.0
686.23987	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29029	0.2
58.02972	6.6
59.01366	0.9
65.24850	0.2
69.53235	0.9
69.53658	0.5
70.02977	6.1
71.01362	0.5
72.00896	2.1
72.04541	1.3
73.02947	0.3
74.02468	37.0
75.02805	0.4
85.02969	0.2
96.95969	0.5
98.02468	7.7
101.02454	0.4
116.03538	9.4
116.05048	12.8
117.05400	0.5
130.06633	1.6
135.04433	0.2
142.06618	3.3
145.08699	0.8
157.07655	0.3
159.09242	3.1
160.09618	0.2
170.90860	0.2
183.09224	0.7
186.05602	0.9
201.10327	3.3
203.08249	36.4
204.08604	2.1
245.09286	100.0
246.09618	7.1
289.08316	0.6
349.14996	2.1
437.33682	0.2
585.65454	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27016	8.8
56.77751	10.6
61.98811	24.8
98.20636	27.9
130.74187	9.5
150.26849	8.6
202.40384	10.0
277.21661	57.5
325.74774	9.1
368.88193	9.8
683.39081	100.0
684.38953	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	685.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
57.03197	0.7
57.03439	5.5
58.00589	0.7
59.01099	0.8
59.01375	14.9
59.90065	0.6
61.98825	1.4
62.10993	0.7
67.01869	1.9
68.99796	1.3
69.03441	1.8
71.01377	25.2
72.08401	0.6
72.53310	0.6
72.99303	4.6
73.02933	7.7
75.00191	0.6
75.00846	1.1
78.95901	0.6
79.01881	1.2
79.95731	16.8
80.96506	11.6
83.01382	6.4
85.02429	1.3
85.02941	22.9
87.00868	6.7
89.02441	5.2
91.75499	0.6
94.98078	1.2
95.01365	2.5
95.95231	1.8
96.96001	65.2
97.02928	2.4
99.00867	6.4
99.04504	1.8
101.02429	12.8
111.00879	11.2
113.02443	10.4
114.20255	0.7
115.04011	0.9
119.03466	1.3
120.01257	0.7
120.95979	1.3
127.00346	1.3
129.01929	9.2
131.03589	0.6
137.02441	1.0
138.97084	7.1
141.01886	1.6
143.03453	0.9
150.06831	0.6
151.03943	1.1
154.96436	0.9
155.03389	0.7
156.79987	0.6
159.02980	3.1
161.04494	1.5
173.04474	1.0
190.96550	0.7
191.05591	14.6
193.05067	1.1
209.06573	1.3
210.15787	0.6
210.99127	1.2
233.15439	0.8
233.86499	0.7
235.16998	13.4
236.17358	0.6
238.98613	9.3
241.00262	5.8
251.16476	9.1
252.16779	0.9
256.99695	23.7
258.00092	0.7
259.01257	5.6
267.06543	0.7
331.01819	0.7
413.21750	33.1
414.22275	3.4
443.22760	2.5
493.17453	1.4
493.29843	0.7
556.22845	0.7
605.28052	56.6
606.28497	8.9
685.23761	100.0
685.36121	6.0
686.24158	17.0
686.34937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61824	0.6
59.01361	1.7
61.98810	2.0
62.71751	0.5
65.45388	0.5
71.01373	1.2
75.00858	0.7
84.64709	0.5
93.14459	0.6
96.95998	5.2
98.20754	0.8
113.02471	1.0
119.05058	0.9
133.02940	0.8
134.03735	44.2
135.04544	12.6
138.13432	0.6
147.04485	2.4
148.05280	1.1
149.04878	1.1
149.06076	19.9
150.06432	1.6
162.06883	0.9
176.03517	1.5
176.70070	0.8
177.04272	1.4
178.05075	1.6
190.05109	1.6
192.06697	0.7
209.78792	0.5
227.07086	1.1
241.08597	1.7
251.06921	1.4
253.08727	0.7
254.05952	0.7
255.06595	5.1
256.07303	0.6
267.06592	1.3
268.07285	1.9
269.08148	5.7
270.08865	3.9
271.09683	0.8
280.07327	0.7
281.08209	2.2
282.09009	2.7
283.09781	2.7
284.10541	6.8
295.09808	1.1
296.10474	5.5
297.11060	3.1
298.07281	0.7
298.11105	0.9
302.07919	4.1
308.09018	0.7
310.07208	1.6
310.11407	0.7
311.07980	1.6
312.08694	1.4
313.09674	0.8
313.13181	1.1
316.09500	2.8
322.07611	0.7
324.08734	1.7
325.09396	2.4
326.10269	2.1
327.42303	0.7
328.11966	0.6
337.18442	0.8
338.10336	2.3
339.11197	1.8
340.11951	3.7
415.19794	0.7
415.24869	0.7
444.13983	0.8
458.15903	0.7
459.68408	0.9
460.14081	1.7
462.15411	0.7
474.15381	1.5
475.16354	3.3
476.17136	4.0
477.17456	0.7
490.18661	17.3
491.19174	3.0
501.16953	0.9
531.17450	0.9
533.19330	2.9
647.37299	0.8
683.25983	100.0
684.26361	21.4
684.35907	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.1
62.63243	1.0
71.01367	1.6
93.03444	1.9
96.95994	3.7
108.02156	2.0
121.02967	7.6
122.03755	1.7
132.02086	1.2
134.03734	100.0
135.04562	21.0
147.04579	1.2
148.01645	2.0
148.04031	1.3
149.02371	2.1
149.06067	55.2
150.06429	1.8
159.04520	2.5
160.01688	1.8
163.04015	1.9
176.03447	2.5
177.04262	3.4
178.05031	2.0
190.05043	1.5
192.06651	6.3
211.07611	1.2
237.05553	2.1
239.07076	8.5
249.05444	1.4
251.03447	1.6
251.07065	1.5
253.08749	1.3
254.09401	2.9
265.05011	2.1
266.05664	1.4
267.06589	16.1
268.07214	3.1
269.11966	2.2
279.06595	3.1
280.07257	4.1
281.08105	5.4
282.08975	17.4
283.09579	6.8
296.10587	10.0
297.11279	28.3
298.11581	1.7
300.12344	1.5
308.09320	2.2
310.07285	1.7
311.07852	1.9
322.07263	1.3
325.09451	1.5
326.10132	3.0
338.10312	3.0
340.11783	4.1
341.14728	1.4
351.09814	1.5
382.12720	1.4
458.15912	3.6
459.16608	1.4
460.14008	12.3
461.14511	1.6
462.19406	1.4
475.16263	8.8
476.16501	2.1
490.18671	87.2
491.18900	15.1
516.16718	2.0
533.19037	3.2
651.23212	1.8
683.25903	53.6
684.26379	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	683.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	1.7
61.98830	1.6
69.82311	3.3
71.01360	1.5
72.99336	0.7
75.00865	1.2
75.51520	0.6
76.50414	0.7
79.95689	1.0
85.02934	1.0
85.39577	0.7
89.98281	0.8
96.96002	13.6
101.02451	0.9
112.11636	0.8
113.02429	1.3
118.34218	0.7
119.05048	0.8
121.02930	0.8
134.03731	77.6
135.04538	20.8
137.02373	0.7
147.04478	1.1
148.05275	1.2
149.06059	27.9
150.06494	1.1
160.01653	2.2
161.02370	1.1
162.06836	1.4
164.94972	0.7
175.03955	2.8
176.03525	2.2
177.04266	1.5
178.05106	2.1
190.05072	1.2
192.06689	1.0
204.06586	0.7
215.07013	1.9
227.07103	2.0
228.04135	0.8
243.06596	6.1
243.92503	0.7
244.54395	0.6
254.18483	0.9
255.06599	4.8
256.07135	1.7
258.08911	3.3
267.06506	1.1
269.08145	2.2
270.08853	4.5
271.09613	1.4
281.08051	1.0
282.09015	1.4
283.09589	0.8
284.10538	2.1
290.07919	3.0
295.09387	0.9
296.10513	1.8
297.11075	1.4
302.07874	5.3
314.09943	0.7
316.09265	0.9
325.09479	1.2
326.10519	0.7
340.11783	2.0
345.08298	1.3
436.88950	0.7
460.13913	1.1
475.16354	1.5
476.16916	2.2
490.18735	5.7
491.18835	1.4
501.16434	0.9
533.19116	10.9
534.19061	1.3
547.20819	1.5
683.25964	100.0
684.26202	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	683.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95031	0.6
55.01879	0.8
57.03450	4.7
59.01376	7.6
59.09139	0.6
60.22010	0.6
68.99793	1.2
69.03444	3.8
71.01379	11.4
72.99305	6.3
73.02938	1.2
75.00884	0.9
75.32272	0.5
77.34064	0.7
79.01897	0.9
79.19910	0.6
79.95732	16.1
80.96510	4.9
83.01376	3.1
84.02150	1.0
85.02943	17.6
87.00871	8.4
87.04507	1.8
87.05927	0.6
89.02427	2.9
89.03972	1.6
93.03477	0.7
94.98108	0.9
95.01366	1.2
95.95213	2.6
96.96006	30.0
97.02942	5.7
99.00877	5.3
99.97809	0.6
101.02425	3.2
103.00359	0.7
110.12470	0.6
111.00871	7.7
113.02442	3.3
115.03994	2.7
117.03440	6.0
119.03522	0.8
120.95993	1.2
120.99642	25.8
129.01930	16.7
132.02184	1.4
134.03728	75.1
135.04022	3.3
137.02437	1.2
138.97063	1.9
141.01936	2.6
149.06076	10.4
155.03470	1.1
159.02985	3.4
160.01643	12.5
161.02118	0.9
173.04501	2.5
175.03976	13.5
176.04442	1.1
177.04089	0.8
178.02719	4.3
191.05614	7.9
191.07135	1.2
193.05034	68.6
194.05396	2.7
209.06639	38.1
210.07066	1.4
210.99106	1.0
217.08678	1.1
233.08134	1.3
235.06131	0.9
238.98616	6.9
241.00166	3.1
256.99698	16.6
258.00098	1.1
261.07562	0.8
293.05377	0.6
335.07709	2.4
360.09955	4.8
360.59918	1.9
361.10086	1.0
367.10275	50.4
368.10593	4.5
385.11368	100.0
386.11737	7.5
561.16022	36.1
562.16339	5.0
683.22217	30.8
683.38489	16.2
684.22516	4.5
684.38464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33035	0.7
55.01865	2.1
57.03448	5.5
59.01093	1.3
59.01376	23.6
63.63865	0.8
68.99794	2.6
69.03464	4.1
69.68278	1.5
69.68677	5.0
71.01379	28.0
72.99292	3.8
73.02945	5.3
75.00885	1.2
79.01866	0.9
79.95728	12.5
80.96511	2.2
83.01386	5.1
85.02431	1.2
85.02946	23.5
87.00871	6.6
87.04498	1.7
89.02435	10.8
89.03961	1.8
93.03443	7.1
95.01369	2.5
95.95220	1.7
96.96008	23.1
97.02945	7.2
99.00851	5.2
101.02438	12.7
103.32934	0.9
105.14860	0.8
106.05084	0.9
108.02161	0.9
109.02924	0.7
110.16422	0.8
111.00858	6.8
113.02443	8.4
115.00303	1.0
115.03986	3.2
117.03441	5.6
119.03500	3.6
120.99648	37.6
123.04577	0.8
129.01930	15.5
132.02124	2.0
133.02927	1.6
134.03731	79.9
135.04124	2.9
137.02435	14.0
138.97083	1.5
141.01924	4.4
144.42905	0.9
149.06079	15.2
150.97128	0.9
153.01862	0.9
159.02991	5.1
159.04167	1.1
160.00424	1.2
160.01640	15.9
161.02271	1.4
161.04492	1.0
173.04547	2.8
175.03970	18.7
176.04759	0.9
178.02731	4.6
179.03503	0.9
179.05595	0.8
191.05594	6.2
191.07121	1.0
192.04274	0.9
193.05038	66.0
194.05408	3.5
202.28259	0.9
209.06642	33.8
210.06932	1.1
233.08208	1.2
235.06125	1.6
238.98634	2.8
241.00200	2.8
241.84676	0.7
256.99750	9.1
261.07617	0.8
275.05536	0.9
277.31857	0.7
335.07532	2.2
352.07666	1.1
359.27911	3.7
360.09839	2.7
360.59943	1.9
367.10294	59.4
368.10635	5.8
385.11362	100.0
386.11627	8.0
400.08221	0.9
404.19061	0.9
521.33289	4.0
561.16046	31.5
562.16388	4.7
677.49152	1.1
683.22113	19.5
683.38342	67.0
684.22278	3.3
684.38690	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	681.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05618	10.4
59.61214	12.1
61.98828	34.3
69.29824	100.0
71.49004	11.7
78.95876	15.7
84.07098	9.8
88.42043	12.1
98.20727	22.2
98.21751	12.4
137.50676	13.7
144.61694	14.8
162.92001	11.3
295.23035	16.5
454.14227	11.9
681.37909	30.9
699.69635	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	682.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78194	0.6
55.01852	0.7
57.03448	4.1
59.01376	9.9
61.98826	19.8
63.99250	1.4
67.01888	1.0
68.99809	2.5
69.03453	3.6
71.01382	10.6
71.62412	0.9
72.99309	5.7
73.02932	0.7
74.04991	0.6
74.05418	0.6
75.00886	1.1
79.01868	1.4
83.01390	2.4
85.02949	17.2
87.00863	6.5
87.04501	1.3
88.98773	0.7
89.02447	4.0
89.02895	0.7
89.03963	1.4
93.03433	1.0
95.01421	0.7
96.95997	4.7
97.02934	6.6
99.00883	3.5
99.04536	1.5
101.02425	2.2
106.04274	0.8
109.02934	0.7
109.37657	0.6
111.00879	2.6
113.02436	4.4
115.04005	2.7
117.03451	5.5
119.03442	0.6
120.01255	15.0
121.02916	0.8
125.02431	0.7
129.01939	15.4
130.02309	0.6
131.15881	0.6
132.02164	2.5
133.02936	0.9
134.03731	76.2
135.04179	3.0
137.02438	2.6
141.01950	2.9
149.06075	11.9
150.03224	0.8
150.06339	0.7
153.01909	0.9
155.03526	1.2
159.02980	2.5
160.01659	11.9
161.02400	2.3
161.04572	1.1
163.03995	0.7
165.01888	0.8
166.02679	0.9
173.04599	3.0
175.03976	14.8
176.04674	0.7
178.02710	4.7
179.03508	1.5
180.04170	0.9
181.05009	0.8
191.05624	7.6
191.07150	1.3
193.05040	71.9
194.05371	3.2
195.06590	2.7
196.07071	0.6
202.06325	0.7
207.06468	0.9
209.06648	36.6
210.06937	1.3
214.06152	0.6
217.08635	0.8
233.08151	1.7
235.06215	1.7
261.07693	0.7
267.07178	0.7
275.05585	1.2
335.07657	2.5
367.10284	44.8
368.10693	4.7
385.11356	100.0
386.11676	9.3
433.14658	0.8
434.15024	1.1
501.19620	0.9
502.19980	0.7
506.13141	0.8
561.16046	33.1
562.16534	6.0
596.30359	0.8
639.25842	1.2
681.25562	2.9
682.17670	2.3
682.27216	9.1
683.17255	1.0
683.27667	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	680.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
60.01700	0.2
61.98825	100.0
64.93417	0.1
67.55769	0.1
69.86019	0.6
71.01390	0.2
133.37552	0.1
134.60503	0.1
145.07805	0.1
218.52405	0.1
233.01151	0.1
343.50360	0.1
455.35461	0.4
456.35583	1.4
457.35846	1.5
458.36298	1.3
597.58350	0.1
620.41998	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
61.98816	1.4
69.45780	4.3
71.01389	3.2
73.90959	0.6
79.95742	0.7
83.01377	0.5
85.02936	2.1
87.00869	1.0
89.02441	1.8
96.96008	4.6
97.02914	0.7
99.00845	1.0
101.02444	0.9
107.01388	2.3
108.02150	0.9
109.02944	0.8
111.00990	0.8
113.02452	2.1
119.03483	0.7
121.02979	1.2
125.02382	0.6
129.01938	0.8
134.03728	1.0
148.01646	1.4
151.00380	5.8
161.02386	0.7
162.02637	0.7
163.00352	1.5
177.01845	0.8
178.99820	2.9
199.03883	1.1
209.06580	0.7
211.03867	0.9
226.02704	1.1
227.03476	1.9
240.50728	0.7
243.02936	11.6
244.03621	0.7
245.09335	0.8
249.06068	1.1
254.02185	2.6
255.02971	26.3
256.03308	1.8
267.06964	2.5
271.02466	58.6
272.02942	5.5
283.02240	0.9
295.06055	4.3
296.06564	0.7
299.01981	1.8
300.02722	100.0
301.03253	13.2
310.08377	3.7
318.97064	0.6
325.10809	3.1
373.12878	7.4
456.20386	0.7
577.10022	0.7
595.12848	2.9
596.13727	0.7
637.14001	74.7
638.14349	11.8
638.24048	1.0
680.24774	2.4
681.15198	0.7
681.23804	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	681.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75380	27.6
59.01392	28.2
70.66837	69.2
77.13766	22.5
178.56419	25.2
195.13748	25.7
277.21616	67.0
295.22754	59.2
343.68970	25.7
368.22751	30.4
411.87607	31.7
485.12131	29.0
522.77209	27.5
660.71191	31.9
681.37518	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	679.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03436	2.4
58.00587	3.2
59.01375	100.0
60.01711	1.2
61.98819	2.4
69.03441	1.3
71.01376	58.1
72.99308	6.0
73.02934	7.1
75.89681	0.8
79.31977	0.7
79.95743	1.7
83.01386	3.5
85.02948	12.9
87.00880	4.2
89.02437	49.2
95.01373	4.2
96.96007	7.4
97.02967	1.7
99.00872	2.2
101.01765	1.5
101.02432	27.6
113.02438	21.9
119.03490	17.8
125.11251	0.8
129.01906	1.0
131.03525	1.5
133.02898	1.4
134.03677	1.4
135.04504	3.7
143.03458	4.0
149.04509	1.2
161.02391	3.7
161.04539	5.2
165.01944	1.6
175.03951	0.9
179.05586	7.3
180.04257	1.4
195.06647	2.5
209.06677	2.2
231.09871	0.8
235.17033	4.8
251.16420	1.4
324.51428	0.8
385.11246	0.8
395.20865	1.4
413.21933	5.2
455.22815	89.5
456.23193	10.2
473.24417	0.8
593.27740	1.8
635.29132	85.4
636.29419	12.7
679.27533	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	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03437	1.3
58.00593	1.8
58.84052	0.3
59.01376	34.5
61.36399	0.3
61.98832	3.3
69.03465	2.6
71.01380	32.5
71.62156	0.4
72.99295	2.8
73.02941	5.3
75.00867	1.1
78.95876	0.4
79.66779	0.3
81.03440	1.1
83.01382	4.4
85.02949	7.3
87.00873	9.0
89.02441	29.5
91.03996	0.8
95.01383	2.1
97.02952	5.7
99.00881	1.9
99.04479	0.3
101.02440	27.0
102.02763	0.8
103.04015	0.4
109.02965	0.6
111.00854	0.7
111.04495	0.7
113.02441	13.9
115.04009	0.5
119.03491	8.4
120.03774	0.4
121.02934	0.5
125.02441	12.3
127.04034	0.4
131.03485	1.0
133.05032	1.2
139.03970	0.8
141.01857	0.5
143.03477	5.2
149.04515	1.1
154.09700	0.4
161.04541	6.1
167.03526	0.7
169.05089	0.8
179.05595	6.0
185.04565	0.5
203.05647	0.4
217.07147	0.9
219.04985	0.4
221.06654	2.2
235.08199	12.7
236.08568	0.7
245.06615	0.6
253.09236	2.9
263.07672	1.5
277.09207	0.8
281.24826	100.0
282.25168	9.4
287.07730	3.5
288.07977	0.5
305.08786	4.0
323.09851	1.4
350.99564	0.4
361.11462	0.8
379.12454	0.9
397.13461	88.5
398.13785	7.0
415.14532	32.9
415.20270	0.6
416.14731	2.7
679.39099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03424	2.1
58.00584	0.8
59.01374	25.9
60.01669	0.5
67.01846	0.5
68.99803	1.5
69.03464	1.1
69.40768	1.0
69.41167	2.4
71.01378	25.7
72.99308	3.6
73.02913	1.0
75.00449	0.6
75.00867	11.6
79.95730	0.6
83.01366	1.0
83.05020	0.8
85.02428	1.0
85.02944	19.3
87.00871	6.5
88.20088	0.5
89.02437	10.5
95.01371	4.2
95.33791	0.5
96.96018	2.9
99.00868	7.1
99.04486	0.5
101.02435	3.2
103.00343	2.1
108.51217	0.4
111.00859	0.8
111.04456	0.5
113.02441	24.6
114.02740	1.0
115.00332	1.1
117.01889	2.0
119.03481	1.2
129.01904	1.5
149.04550	0.5
157.01328	0.9
161.02425	0.6
161.13330	4.6
162.13689	0.7
162.96147	0.4
175.02437	1.9
187.11325	2.1
192.75557	0.4
205.07109	1.0
205.12315	4.6
207.05051	0.9
210.57962	0.5
231.04955	0.7
245.09364	0.7
249.06119	9.5
249.11374	1.3
250.06554	0.6
267.07187	31.2
268.07474	1.6
351.15836	0.6
455.19189	4.0
456.19406	0.6
481.56149	0.5
499.18170	12.2
500.18524	1.6
661.22919	0.7
679.24445	100.0
680.24847	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00147	0.6
55.01863	0.9
57.03433	2.1
58.00581	1.2
59.01380	25.2
59.17932	0.5
61.98835	6.1
67.01856	0.7
68.99806	0.8
69.03459	0.7
70.92521	0.5
71.01379	24.8
72.99317	3.7
73.02919	1.7
75.00872	12.2
79.95714	1.6
80.96530	0.6
82.75282	0.5
83.01350	1.4
83.04995	0.9
85.02950	20.4
87.00879	6.3
88.98793	0.8
89.01921	0.7
89.02449	9.4
91.03992	0.6
93.03419	1.1
95.01378	4.2
96.96009	32.9
98.19826	1.2
99.00877	6.7
99.04491	1.4
101.02434	5.7
103.00352	1.8
109.02944	0.8
111.00837	1.2
113.02448	25.1
114.92879	0.6
115.00334	2.1
117.01894	1.6
119.03496	1.2
129.01920	2.5
131.03506	1.1
133.02882	0.5
134.03716	0.8
135.04480	2.1
137.02441	1.4
157.01450	1.0
161.02411	2.3
161.13371	6.0
175.02426	1.7
175.03972	1.6
179.03482	0.9
187.11244	2.9
193.05069	1.3
195.06546	1.0
205.12321	7.0
207.05092	1.1
231.05084	0.8
248.80804	0.7
249.06125	10.5
250.06328	0.7
267.07178	27.3
268.07639	1.0
323.07849	0.7
342.13522	0.9
455.19049	5.0
499.18143	17.9
500.18509	2.4
588.15869	0.7
635.25372	0.6
679.24487	100.0
680.24823	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	677.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03447	0.9
58.00594	1.7
59.01376	37.5
60.01698	0.3
61.98817	0.2
67.01891	0.4
68.99810	0.5
69.03449	2.0
71.01377	32.8
72.01731	0.4
72.99302	2.6
73.02942	5.2
73.39877	0.2
75.00872	1.1
77.19177	0.2
81.03460	1.8
83.01383	4.3
83.05018	0.4
85.02426	0.4
85.02946	7.6
86.00098	0.5
86.03246	0.2
87.00869	8.6
87.04498	0.3
89.02437	29.0
90.02776	0.4
91.04017	0.5
93.03439	0.3
95.01392	2.1
97.02945	5.9
99.00869	2.2
99.04520	0.5
101.02435	28.7
102.02779	0.5
103.00325	0.2
103.04003	0.3
109.02270	0.2
109.02965	0.4
111.00877	0.6
111.04510	0.8
113.02441	13.1
114.02769	0.4
115.04008	0.8
115.59834	0.2
119.03495	8.8
121.02949	0.8
123.00877	0.3
123.04489	0.3
124.01648	0.4
125.02436	12.1
126.02774	0.3
127.03984	0.4
129.02019	0.2
131.03488	1.6
133.05066	1.1
137.02435	0.5
139.03995	0.9
141.01903	0.6
143.03494	5.6
145.86618	0.2
149.02478	0.3
149.04497	1.2
155.03499	0.2
157.05008	0.2
161.04543	6.7
167.03499	0.9
169.05087	0.4
171.03026	0.3
173.04642	0.2
179.05582	6.5
180.09520	0.2
185.04564	0.5
199.06119	0.4
203.05557	0.3
217.07115	1.0
219.05110	0.3
221.06671	2.1
230.64044	0.2
235.08188	13.6
236.08554	0.6
241.02911	0.2
245.06613	0.8
246.21774	0.2
253.09276	3.5
254.09593	0.2
261.22168	0.5
263.07660	1.7
268.82950	0.2
277.09296	1.2
279.23248	100.0
280.23608	9.7
287.07660	3.9
288.08090	0.2
293.24936	0.5
298.67581	0.2
305.08765	4.3
321.24326	0.2
323.09769	1.6
353.09283	0.2
356.49518	0.2
361.11234	0.5
379.12247	0.8
397.13452	85.6
398.13815	7.4
415.14520	33.1
416.14828	2.5
577.26880	0.2
579.27161	0.2
677.37701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4262
Annotation	Kahiricoside IV
Peak:m/z	Relative Intensity
59.01374	35.2
60.01712	0.3
61.01819	0.1
65.10822	0.1
69.50726	0.1
71.01382	0.6
80.57135	0.1
80.96523	0.2
85.02975	0.2
85.68750	0.1
87.49503	0.2
89.02432	0.7
101.02428	1.0
103.25989	0.1
113.02447	0.8
119.03489	0.6
143.03511	0.2
151.73120	0.1
158.71243	0.1
161.04547	0.4
221.06581	0.3
303.14008	0.1
344.71863	0.2
407.33084	0.4
455.35233	100.0
456.35577	15.5
469.36801	0.5
497.35965	0.2
553.50305	0.1
617.40399	2.2
618.41132	0.4
677.42682	1.5
678.43604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.1
58.02960	0.3
59.01382	0.7
61.98816	0.1
69.03448	0.2
69.80134	0.2
69.80537	0.6
71.01361	0.5
72.99306	0.1
78.81290	0.1
79.95737	0.3
80.05061	0.2
81.03452	7.4
82.03789	0.2
83.05022	19.0
84.05347	0.6
85.02922	0.3
87.00854	0.1
89.02462	0.2
95.59618	0.1
96.96010	1.3
99.00869	0.1
99.04530	0.2
100.07687	0.3
101.02406	0.1
107.06172	0.5
108.04556	0.6
113.02444	0.2
119.03491	0.1
125.07196	1.3
126.05591	0.4
126.07642	0.1
134.03694	0.1
137.02415	0.2
138.96976	0.1
143.08240	0.6
152.07242	0.1
153.01942	0.1
157.13425	0.2
179.03532	0.1
187.75941	0.1
193.05032	0.1
195.06604	0.1
199.18126	0.2
207.14995	1.6
222.15985	0.1
224.17671	2.9
225.16066	13.4
226.16452	0.8
241.00291	0.1
242.18671	0.9
250.15483	0.2
251.14497	0.1
256.99710	0.2
268.16675	0.2
283.01260	0.2
290.22348	0.2
291.20721	0.2
309.21921	0.7
324.26489	0.6
333.22882	0.8
339.27597	0.3
341.29156	1.0
351.24005	0.3
360.09839	0.5
367.27094	1.0
368.27075	0.2
385.28094	0.3
407.33923	0.2
413.34998	0.1
433.31750	1.5
441.12442	0.2
450.34482	1.4
451.32867	6.3
452.32904	0.8
550.43408	1.1
551.43768	0.3
559.39496	0.4
565.44299	0.2
593.43677	0.6
633.26892	0.2
659.48444	1.5
660.49030	0.3
677.49603	100.0
678.49921	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62267	0.4
55.01864	1.2
57.03428	0.9
58.00579	1.5
59.01374	33.9
61.98812	0.5
64.47339	0.4
66.16420	0.4
69.03434	1.8
70.03139	1.5
71.01376	33.4
72.01693	0.5
72.99298	3.4
73.02945	5.5
75.00845	1.3
78.69494	0.4
78.95898	3.3
81.03433	1.5
81.56915	0.4
82.61142	0.4
83.01379	4.3
85.02945	7.3
87.00858	7.7
89.02435	29.9
91.03996	0.6
93.03453	0.4
95.01376	2.2
96.96924	0.5
97.02947	5.4
98.20515	0.5
99.00873	2.1
99.04471	0.5
101.02436	28.3
103.00348	0.4
103.04046	0.4
109.02962	0.5
111.04520	0.8
113.02442	12.4
119.03503	8.1
119.04962	0.6
121.02913	0.5
125.02432	11.2
129.01939	0.5
131.03477	1.0
133.05043	1.2
134.85826	0.4
139.04007	1.0
141.01920	0.5
143.03513	5.1
149.04547	1.0
152.99562	4.0
158.52138	0.5
161.04544	6.2
163.04074	0.7
164.26596	0.5
167.03362	0.5
179.05598	5.4
185.04584	0.7
217.07104	1.3
221.06581	2.0
235.08208	12.6
236.08592	0.5
241.01317	0.4
245.06657	0.5
253.09261	4.4
261.22412	0.7
263.07672	1.3
277.09320	0.9
277.21695	0.6
279.23254	100.0
280.23584	8.8
287.07715	2.9
292.45547	0.4
305.08752	3.2
323.09656	1.4
379.12210	0.7
397.13455	77.9
398.08801	0.8
398.13766	7.2
401.30173	0.4
415.14532	32.8
416.14914	2.4
595.28845	5.6
596.29382	1.1
604.18854	0.5
610.33020	0.5
677.38165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09879	0.5
58.02972	6.6
59.01365	1.2
60.01501	0.5
61.98830	0.7
69.62256	1.5
69.62656	1.0
69.92013	0.5
70.02965	5.3
71.01384	1.2
72.00898	2.0
72.04549	1.4
74.02467	37.4
79.95718	0.6
85.02963	1.3
89.02442	0.7
93.91994	0.5
96.96006	7.0
98.02472	8.2
98.95605	0.7
101.02435	0.6
108.02123	0.6
113.02474	0.6
116.03536	9.0
116.05040	11.3
116.05820	0.9
121.02969	0.6
129.01900	0.5
130.06595	1.4
134.03717	1.4
137.02403	1.3
138.01956	5.1
139.02275	1.5
142.06581	2.9
158.06128	0.5
159.09283	3.1
165.01910	0.7
172.60002	0.5
179.03458	0.8
183.09192	0.7
186.05592	0.9
193.05054	1.4
201.10298	2.5
203.08235	37.6
204.08556	2.8
209.06670	1.1
241.00223	1.4
245.09274	100.0
246.09604	9.0
254.21109	0.4
258.99313	0.5
267.07187	0.7
289.08228	0.8
309.11847	0.4
385.11234	0.8
386.11407	1.0
387.11472	1.9
410.22891	0.4
420.23212	0.5
498.52264	0.5
507.46649	0.5
517.51056	0.4
526.50208	0.5
677.24707	2.2
678.23877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63094	1.2
59.01371	9.2
59.57850	1.3
61.98821	2.5
64.63177	1.2
68.69864	1.1
71.01372	5.6
71.63245	1.6
79.95721	3.3
80.05048	3.2
82.02967	3.3
85.02953	2.9
87.00820	1.9
89.02431	3.1
91.93216	1.3
94.02978	40.2
94.06618	3.7
96.04558	2.1
96.96004	14.4
99.00851	1.6
101.02444	2.9
105.05846	1.7
106.06629	2.4
107.03759	8.5
108.04512	1.8
109.75565	1.4
113.02413	1.8
120.04480	2.2
120.07372	2.2
120.08179	31.3
121.08560	1.7
122.06112	44.5
123.06487	1.7
124.07687	1.8
129.01868	1.2
132.04550	3.7
134.06129	10.6
135.04460	1.2
136.04018	1.8
136.07559	1.3
137.02426	1.4
138.05600	17.6
139.02736	3.5
150.05586	1.6
152.07155	100.0
153.01872	2.6
153.07448	4.4
158.02362	1.6
160.01588	1.5
160.04004	1.7
161.04694	1.9
164.07132	3.3
166.08676	1.6
173.19864	1.2
174.05647	2.6
190.05052	5.0
211.12253	1.8
215.12038	1.2
223.08705	7.5
224.09514	3.3
225.10246	4.1
235.12326	2.3
236.09505	1.4
237.10353	12.3
238.11139	3.5
239.11810	9.6
245.12869	6.0
249.06738	2.9
249.10373	2.1
251.08215	2.7
251.11830	7.6
253.13313	2.1
263.08203	6.0
264.08972	10.7
265.09695	5.9
267.11292	2.5
271.10785	1.7
276.08884	2.7
277.09720	4.1
278.10468	5.6
279.11343	40.5
280.11777	4.2
281.09164	1.4
281.12726	2.5
283.10788	1.8
291.11340	12.3
292.11984	4.1
293.12476	1.4
294.09949	1.7
295.10773	3.7
303.13666	2.2
311.14148	2.1
313.11905	2.6
323.10397	9.4
324.10992	4.6
325.11758	2.9
334.15515	1.9
348.08728	1.4
355.12909	1.5
360.09604	2.3
361.30643	1.2
376.16412	2.3
402.18365	8.0
403.18854	1.5
404.19650	3.0
417.20425	2.6
430.17572	1.5
444.19229	8.7
445.19513	3.4
447.17432	2.1
448.18695	4.6
449.19144	1.9
461.19510	3.6
462.20428	3.3
471.18225	3.2
486.15570	3.1
488.18246	18.2
489.19003	12.3
490.19662	1.8
520.20813	49.9
521.21039	9.0
523.18896	2.6
541.24414	8.2
544.61035	1.3
583.25818	6.9
585.23395	24.1
586.23956	3.7
601.26367	4.8
602.27258	1.9
617.26135	29.3
617.35980	2.1
618.26483	6.6
621.20874	1.6
627.24493	26.5
628.24780	5.1
633.27570	4.8
645.25555	88.3
646.25964	16.6
649.49567	1.6
659.26971	16.8
660.27600	4.2
677.27826	32.9
678.28455	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	675.3742
Annotation	Actein
Peak:m/z	Relative Intensity
55.01877	2.0
57.03443	5.9
59.01375	2.2
67.01886	0.8
68.99813	1.0
69.03440	0.5
71.01376	4.9
71.61656	0.2
72.98920	0.2
72.99304	2.9
73.02927	0.7
75.00867	30.3
76.01192	0.3
83.01367	1.2
84.02172	0.4
85.02945	27.6
86.00134	0.1
86.03290	0.4
87.00867	2.0
88.01694	0.2
89.02430	0.4
95.01382	3.5
96.01743	0.2
97.02915	0.4
99.00877	2.6
99.77345	0.1
101.02428	0.3
103.00354	0.2
108.87950	0.1
111.00872	0.6
112.01656	1.3
113.02442	12.7
114.02738	0.3
115.00353	1.1
116.01129	0.5
117.01945	1.0
129.01952	0.8
130.99820	0.3
139.00377	0.2
157.01433	1.3
175.02448	0.7
196.62999	0.1
371.87592	0.2
391.26154	0.2
393.28122	0.3
419.29688	0.1
421.31262	0.3
423.32178	0.2
446.57294	0.1
481.33209	0.6
497.32455	0.9
498.33536	0.2
499.34250	5.6
500.34756	0.8
527.33185	0.2
553.35504	1.4
554.35132	0.2
555.33270	0.5
571.36121	0.2
599.35760	2.5
600.35828	0.5
657.35590	0.7
675.37390	100.0
676.37726	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	676.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
57.31096	0.3
58.02971	3.8
59.01377	1.1
60.55407	0.3
68.99763	0.3
69.52238	1.7
70.02965	2.7
71.01376	0.9
72.00906	0.8
72.04549	0.7
72.99309	0.4
74.02468	19.9
79.95736	2.6
80.96534	2.1
83.01431	0.3
85.02967	0.5
87.00887	1.2
93.03468	0.4
96.96006	12.1
98.02473	4.6
98.95624	0.5
99.00863	0.5
101.02439	0.9
108.02165	10.5
111.00890	1.6
116.03564	4.0
116.05061	7.5
117.05369	0.5
121.02979	2.1
122.02451	1.5
127.00335	0.3
129.01942	1.3
130.06638	0.8
134.03731	0.8
137.02406	0.7
138.01962	100.0
138.67276	0.3
138.97110	0.7
139.02313	3.2
142.06613	1.7
144.88582	0.3
151.02731	4.0
152.03517	1.0
159.03006	0.7
159.09303	1.5
160.04045	1.1
160.09567	0.3
161.04446	0.4
162.02287	0.5
164.01027	0.3
180.03018	5.5
183.09212	0.4
184.81633	0.3
193.04875	0.4
201.10231	1.5
203.08249	20.3
204.08606	2.2
209.06654	0.4
210.04094	0.3
221.29353	0.4
222.04121	0.7
224.72003	0.4
238.98674	2.3
239.99283	0.3
241.00237	1.3
242.00380	0.3
245.09280	47.0
246.09590	6.9
256.99698	6.0
258.00034	1.5
385.11279	0.7
386.11740	0.4
387.11377	0.5
462.76620	0.4
675.25226	4.6
676.25647	10.8
677.26239	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25721	1.3
57.03419	5.4
59.01368	17.0
59.77229	1.3
61.98801	1.5
68.99794	1.3
69.03429	4.6
70.00267	2.5
70.00675	4.2
71.01384	17.0
71.05000	2.4
72.99303	8.7
73.02930	2.6
75.00867	19.4
83.01364	1.9
85.02442	1.4
85.02943	24.5
87.00872	7.9
89.02410	5.2
93.03448	1.4
95.01337	5.2
96.95989	3.7
98.20535	1.5
99.00878	14.5
99.04514	7.5
101.02426	1.4
103.00359	3.0
113.01720	1.3
113.02444	24.1
115.00358	2.3
117.01910	2.5
117.03400	3.0
129.01891	2.8
132.02182	5.8
133.02910	5.1
134.03734	29.8
135.03947	1.9
149.06056	1.8
160.01649	21.7
161.02310	3.4
175.02524	2.6
175.03976	16.6
178.74321	1.3
193.03548	2.0
193.05051	16.3
231.05032	1.9
241.15994	1.3
249.06140	16.4
251.16512	45.8
252.16736	4.7
257.29395	1.3
267.07028	4.5
273.33261	1.3
313.03540	1.5
366.09116	2.1
425.10632	3.7
483.22256	2.1
501.23373	100.0
502.23874	10.5
515.33301	1.9
677.27643	95.1
678.27966	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	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03431	1.4
58.00592	2.4
59.01377	46.5
60.01709	0.5
61.98815	0.2
68.99813	0.6
69.03453	2.6
70.18996	1.0
71.01379	41.6
72.01723	0.5
72.99300	3.0
73.02944	6.4
73.03336	0.4
75.00865	0.9
81.03455	1.8
83.01382	4.9
83.05009	0.5
85.02948	9.7
86.00107	0.4
87.00875	10.5
87.04543	0.4
88.01196	0.2
89.02440	36.7
90.02782	0.7
91.04018	0.6
93.03440	0.4
95.01388	3.0
97.02949	7.8
99.00880	2.4
99.04513	0.5
101.02439	34.1
102.02789	0.7
103.00344	0.4
103.04040	0.6
109.02958	0.6
111.00851	0.7
111.04530	1.1
113.02444	16.0
114.02800	0.4
115.03989	0.9
119.03493	10.9
120.03868	0.2
120.34608	0.2
121.02960	0.6
123.00909	0.5
123.04545	0.5
124.01662	0.5
125.02438	14.8
126.02738	0.4
126.40022	0.2
127.03983	0.4
131.03484	2.2
131.07953	0.3
133.05046	1.3
136.83665	0.2
137.02470	0.4
139.04005	1.4
141.01912	0.8
143.03499	6.4
149.02528	0.3
149.04556	1.4
151.03961	0.3
155.03572	0.4
157.05086	0.5
161.04549	7.0
167.03448	0.7
169.05087	0.7
171.02945	0.6
173.04559	0.3
177.90649	0.2
179.05602	7.4
179.07164	0.5
180.05971	0.3
181.05055	0.3
185.04529	0.5
197.20209	0.3
199.06110	0.7
203.05620	0.7
217.07111	1.4
219.05127	0.5
221.06624	2.3
233.22659	0.3
235.08208	15.3
236.08571	0.4
245.06616	1.2
253.09221	3.6
259.20706	0.5
263.07690	2.0
264.07706	0.3
275.20120	0.4
277.09540	1.4
277.21692	100.0
278.22021	8.8
287.07730	3.7
291.23489	0.3
305.08737	3.7
323.09775	2.3
361.11548	0.7
379.12430	1.4
397.13461	88.8
398.13800	7.3
398.19061	0.3
415.14523	38.6
416.14835	3.4
469.69864	0.3
675.36914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02196	0.1
55.01876	1.7
57.03437	1.3
58.00595	2.2
59.01376	48.8
60.01694	0.4
61.98834	0.3
67.01879	0.3
68.99818	0.7
69.03450	2.7
71.01377	43.6
72.01714	0.6
72.99300	3.3
73.02943	7.1
75.00868	1.0
78.95894	0.2
79.68874	0.1
81.03456	1.9
83.01385	4.9
83.05029	0.6
84.02142	0.3
85.02945	8.9
86.00090	0.6
87.00868	10.3
87.04525	0.3
89.02438	36.8
90.02780	0.7
91.04013	1.2
93.03445	0.5
95.01389	2.5
95.05048	0.3
97.02941	6.7
97.63676	0.2
99.00882	2.6
99.04504	0.6
101.02435	35.6
102.02791	0.5
103.00373	0.4
103.04043	0.3
107.01407	0.2
108.87618	0.2
109.02956	0.9
111.00881	0.7
111.04502	1.3
112.01728	0.2
113.02441	17.1
114.02778	0.5
115.04018	0.9
119.03497	10.8
120.73524	0.2
120.86370	0.2
121.03002	0.8
123.00898	0.4
123.04553	0.3
124.01694	0.4
125.02437	14.2
126.02793	0.4
127.04005	0.5
127.07664	0.3
129.01962	0.4
131.03520	1.8
133.05063	1.2
135.04440	0.2
137.02437	0.4
139.03995	1.0
141.01942	0.7
142.02715	0.2
143.03490	7.3
149.04541	1.2
151.04018	0.3
152.99501	0.2
155.03496	0.2
157.05078	0.2
161.04536	8.6
167.03484	0.8
169.05064	0.7
171.03024	0.4
179.05588	6.7
181.05008	0.2
182.13251	0.2
185.04523	0.9
199.06108	0.6
203.05626	0.7
209.04422	0.2
217.07118	1.1
219.05075	0.4
221.06601	2.9
233.06726	0.3
233.22717	0.3
235.08203	16.7
236.08563	0.7
245.06604	0.8
253.09271	4.0
254.09615	0.3
259.08322	0.2
259.20642	0.5
263.07690	1.7
264.07715	0.2
275.20132	0.6
277.09476	1.2
277.21683	100.0
278.22018	9.2
287.07721	3.7
288.08142	0.2
291.23233	0.3
305.08765	4.7
306.08981	0.3
316.09439	0.2
323.09686	2.1
361.11407	0.7
379.12561	0.9
397.13458	89.9
398.13791	7.6
415.14532	38.3
416.14828	3.0
501.19589	0.2
522.51178	0.2
543.21515	0.2
612.50836	0.2
675.36127	0.4
676.36566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	0.7
59.01373	7.2
63.01972	0.8
65.55299	0.8
70.85218	1.0
71.01386	0.9
78.95897	2.3
80.05048	7.4
83.04997	0.8
94.02962	2.4
94.06615	2.5
96.95987	2.9
104.05033	2.6
106.06587	2.5
107.03785	4.0
108.04532	3.2
120.04541	1.1
120.08167	1.8
121.05258	0.8
122.06114	28.8
123.03255	1.0
123.06398	1.3
124.04006	3.9
130.06540	1.2
132.04501	2.1
134.06110	4.6
136.04025	5.2
137.04794	1.8
138.05614	4.8
146.06050	0.7
147.05617	3.6
148.04018	2.4
150.05586	12.7
152.07156	37.2
160.04021	1.6
161.03484	1.5
162.05542	0.9
164.07150	1.0
168.06589	1.4
173.04953	0.8
174.05547	2.4
175.05096	2.4
176.05843	1.1
186.12837	1.0
190.05061	3.1
192.06644	1.4
201.10318	14.4
202.12386	1.1
211.08737	1.6
213.10361	7.7
215.11742	1.0
219.80571	0.8
223.08650	1.0
224.09453	1.3
225.10452	1.0
227.11850	5.2
229.09811	17.2
229.13335	7.8
237.10193	1.8
239.11888	8.1
241.09831	2.4
243.11382	1.4
245.12950	10.6
247.10864	2.4
250.07375	1.0
255.11342	7.1
257.13010	4.6
259.10898	1.2
265.09689	2.6
267.11353	2.3
269.12753	1.2
273.12354	4.4
275.13919	1.1
279.11292	1.3
281.12994	1.1
285.12686	1.0
287.10208	1.1
289.11899	5.6
295.10892	3.8
297.12433	1.6
301.11856	19.0
302.12241	1.5
307.72046	0.8
309.12305	2.7
313.11942	5.8
317.11426	0.8
319.12939	78.7
320.13336	6.6
323.10345	6.4
325.11893	1.4
327.13449	4.8
330.12573	1.2
332.13995	1.7
339.09900	1.1
341.11346	1.1
342.12848	0.9
342.25128	0.9
344.14163	1.1
348.17020	0.9
355.12897	5.6
358.11871	2.2
359.12604	2.0
360.13452	1.8
370.11838	0.9
372.13464	1.2
373.14615	1.1
374.15033	10.2
388.16879	0.9
391.15170	3.6
392.16034	9.4
393.16425	1.5
403.15021	1.9
404.15887	1.7
416.16165	6.1
418.14066	2.4
428.16049	1.7
434.17117	4.5
446.17233	1.8
464.87769	0.8
531.25763	1.3
539.22620	2.9
543.22345	1.0
557.23993	17.3
558.24445	3.7
563.22729	1.7
571.24854	1.1
575.25171	1.1
581.23901	5.2
583.21838	1.3
599.25055	70.3
600.25439	12.1
601.22772	1.1
602.23651	3.2
603.23792	1.1
615.25134	1.7
625.23254	1.7
626.23065	1.1
643.24017	100.0
644.24390	20.1
675.26605	42.2
676.26959	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	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.9
61.98828	23.8
71.01370	4.7
71.33555	1.7
72.99317	2.0
73.02950	1.1
74.05367	1.1
75.00876	1.8
79.95731	4.1
80.05066	9.1
80.96510	1.4
85.02959	3.3
87.00903	1.0
89.02441	2.4
93.03477	2.1
94.02982	2.9
94.06628	2.5
96.96000	26.9
98.02454	1.3
101.02431	3.1
104.05063	3.5
106.06608	3.5
107.03773	5.0
108.02173	1.1
108.04552	3.2
113.02437	1.8
120.04568	1.2
120.08200	1.7
121.05349	2.0
121.15351	1.1
122.06110	35.9
124.04025	3.5
130.06642	1.5
134.03766	2.7
134.06091	8.0
135.04639	1.4
136.04041	3.8
137.02429	3.2
137.04819	2.0
138.05583	5.0
139.02753	1.9
147.05656	3.3
148.04036	3.1
149.03540	1.4
150.05592	9.7
152.01138	1.6
152.07159	53.5
160.04021	4.1
166.05287	1.2
174.05602	2.7
175.05150	2.9
190.05107	2.6
193.05031	1.5
201.10280	13.0
213.10289	8.2
223.08710	1.9
227.11891	4.8
229.09814	17.2
229.13336	5.7
237.10205	1.3
238.98555	1.5
239.11926	6.2
241.00320	1.3
241.09770	1.8
242.92572	1.3
245.12965	10.1
247.10901	2.9
249.10478	1.3
251.08250	1.7
253.09703	1.7
255.11325	6.8
256.99774	2.3
257.12939	5.2
265.09802	2.8
267.11465	3.4
273.12473	5.6
279.11179	1.3
281.09311	10.5
289.12012	5.1
293.09351	5.8
295.10938	3.1
297.12460	1.2
301.11853	16.5
309.12378	2.3
313.11755	6.1
317.11462	1.5
319.12943	67.2
320.13345	5.7
323.10379	6.9
325.11743	2.1
327.13553	5.5
330.12555	1.7
339.13580	1.5
344.10278	1.4
344.14127	1.8
348.08612	2.7
348.17078	1.3
355.13049	4.6
358.11865	1.4
360.13345	1.9
361.10303	1.4
372.13358	2.1
373.14233	1.6
374.14957	9.3
391.15396	2.3
392.16077	9.1
393.16583	2.0
406.17789	1.5
413.14154	1.5
416.11450	1.2
416.16077	6.3
418.13809	1.7
434.17273	4.4
446.17087	12.1
470.12500	2.0
478.20145	2.1
486.15604	8.4
490.16083	7.3
522.18896	18.2
531.26074	1.8
539.22998	4.0
557.24152	14.6
558.24634	4.2
563.23340	1.3
569.23706	1.7
575.25262	1.2
581.24280	5.2
582.23779	1.9
599.25043	65.7
600.25433	14.0
602.23798	2.6
621.22424	4.7
625.23187	2.6
639.23297	7.9
639.69092	1.3
640.24335	2.2
643.23999	100.0
644.24506	21.2
675.26929	43.7
676.27319	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	675.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64866	0.5
57.03434	1.4
59.01371	2.0
60.89457	0.5
71.01367	3.9
71.61282	0.5
71.62070	0.6
72.74117	0.6
72.99303	0.6
73.02946	0.7
75.00823	1.1
79.95734	12.6
80.96510	12.1
83.01385	2.4
85.02928	2.7
87.00877	4.3
87.58562	0.6
89.02481	0.6
93.38129	0.5
94.98060	2.0
95.01371	0.7
95.95190	0.8
96.96006	70.6
99.00880	2.9
101.02439	1.9
111.00873	9.6
113.02441	1.4
115.00349	0.6
117.01911	0.6
120.95997	1.9
127.00359	1.5
129.01932	6.6
136.95496	0.8
136.99098	0.6
138.97066	4.1
150.97073	0.7
151.00415	0.8
154.96539	1.4
159.02937	2.0
166.96526	1.3
167.00136	0.9
177.04015	0.7
192.98155	0.7
196.97600	0.6
210.99191	2.0
238.98637	15.8
241.00191	11.3
241.02455	0.9
256.99704	47.3
258.00064	1.4
259.49585	0.6
287.08981	0.7
371.10059	0.7
372.10803	0.6
433.11340	1.0
495.19012	3.4
497.20624	6.9
498.20947	1.1
537.41455	0.6
675.25299	100.0
676.25720	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	675.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45496	0.4
55.01874	0.5
59.01372	2.1
69.75822	2.1
69.76233	0.7
71.01382	2.5
72.99287	0.7
73.02946	0.8
79.95732	66.1
80.96503	5.0
81.95315	0.8
83.01395	0.9
85.02938	1.6
87.00880	1.4
89.02419	0.9
94.98109	0.6
95.95219	2.4
96.96004	76.2
97.02934	0.7
98.95629	0.9
99.00898	0.7
101.02423	2.2
107.05112	0.5
111.00870	1.6
113.02443	1.5
119.16140	0.4
122.97530	0.6
129.01933	1.1
134.03737	0.8
135.04526	1.0
137.02385	0.6
138.97098	3.4
145.61353	0.5
150.96959	0.9
151.03932	0.7
153.01978	0.9
159.02740	0.4
166.02733	0.6
178.65257	0.4
195.06512	0.7
209.45004	0.5
238.98686	2.1
241.00221	10.4
256.99704	7.2
259.85312	0.5
300.02863	0.9
315.04971	2.1
368.09448	0.5
382.92847	0.5
397.09933	0.9
639.16089	0.8
675.16022	5.4
675.25330	100.0
676.25708	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	675.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
58.33315	0.5
59.01378	2.6
61.98827	0.6
65.66641	0.5
66.97639	0.5
69.24707	0.5
69.76398	1.5
69.76811	1.7
71.01392	3.6
72.99287	0.9
73.02933	0.8
75.00861	0.6
76.02866	0.5
76.46964	0.6
79.95736	13.6
80.55872	0.5
80.96513	12.0
83.01376	2.4
85.02940	2.7
87.00872	4.7
87.04516	0.6
89.02486	0.5
94.98083	1.7
95.95222	0.7
96.96004	68.1
99.00865	2.2
101.02451	1.7
111.00878	12.5
112.01099	0.6
113.02428	1.1
113.97830	0.5
115.00356	1.0
120.96005	2.1
124.21124	0.5
127.00364	1.9
129.01942	7.3
131.40343	0.5
134.03662	0.5
136.95497	0.8
138.97060	5.1
147.03014	0.6
154.96553	2.0
159.02963	2.2
166.96585	1.3
177.04004	1.0
190.96558	0.9
192.98045	0.6
210.99054	3.7
217.73224	0.5
238.98633	19.8
239.98982	1.0
241.00238	7.9
256.99701	62.4
258.00052	2.0
377.95547	0.6
513.19934	0.6
595.91852	0.6
675.25299	100.0
676.25641	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	673.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00426	2.9
60.75659	3.2
61.98816	9.4
67.05538	3.3
69.63589	13.3
69.63996	6.3
73.99796	3.1
77.80697	3.4
78.95910	4.3
79.17769	3.4
116.07178	34.5
125.03532	3.9
129.10301	3.9
130.08728	3.7
140.07190	3.8
140.12592	3.1
144.10297	26.7
152.99597	4.0
155.08206	3.8
182.10712	7.6
194.11859	4.0
198.11301	4.4
210.14908	4.6
225.16049	92.7
226.16428	7.5
281.24728	5.2
311.19772	5.6
312.28622	3.1
323.73404	3.4
325.21255	100.0
326.21658	7.4
329.20969	5.5
343.22266	12.4
424.28088	8.3
442.29230	64.5
443.29797	8.4
637.41577	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03437	6.1
58.02960	1.8
59.01373	2.8
67.01895	0.6
68.99809	1.9
69.03445	3.0
69.37918	2.8
69.38342	1.9
70.02971	1.6
71.01380	7.0
72.04571	0.6
72.99297	3.0
74.02468	10.0
79.77780	0.5
79.95738	1.0
81.74387	0.5
83.01384	2.7
84.02175	1.2
85.02946	18.5
87.00875	6.2
87.04501	1.2
89.02427	1.0
89.03944	0.6
94.68787	0.6
96.95995	5.1
97.02957	4.8
98.02469	2.8
99.00888	3.4
101.02404	1.2
111.00871	3.4
113.02485	1.5
115.04014	2.6
116.03522	2.0
116.04331	0.6
116.05042	3.6
117.03447	3.1
128.03603	0.5
129.01938	16.1
130.06645	0.7
132.02190	0.5
134.03734	44.2
135.04288	0.7
137.02431	1.0
141.01920	2.8
142.06609	0.7
149.06084	3.8
159.03008	3.1
159.09291	0.7
160.01619	1.1
161.02501	0.7
175.04025	2.1
178.02733	0.8
179.03412	0.8
191.05618	7.0
193.05045	36.5
194.05405	2.4
201.10353	0.7
203.08266	9.9
204.08623	0.6
209.06648	46.9
210.07002	1.8
241.00349	0.7
245.09294	19.8
246.09605	1.0
256.99710	1.7
385.11371	100.0
386.11688	9.5
410.83261	0.7
516.87457	0.6
675.25018	4.7
676.25732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.237
Annotation	CHEBI:72479
Peak:m/z	Relative Intensity
50.40481	0.7
52.81978	0.6
55.01872	0.6
57.03437	2.4
59.01091	0.9
59.01374	15.8
61.98803	1.9
65.62694	0.6
67.47892	0.6
71.01373	12.7
72.99294	2.0
73.02946	10.1
75.00867	0.7
78.20685	0.6
79.43950	0.6
79.95731	9.5
80.96517	9.7
83.01375	3.0
85.02938	7.1
87.00867	4.5
89.02438	8.6
94.98093	1.5
95.01383	1.1
96.96005	53.0
98.19879	2.1
99.00864	3.2
101.02429	7.9
103.00333	0.8
111.00870	9.3
113.02440	4.0
115.00380	1.2
119.03518	3.4
120.95997	1.1
127.00366	2.0
129.01923	6.2
133.02924	2.3
134.03735	2.4
135.04514	10.8
136.81519	0.6
136.95508	0.8
137.02408	0.9
138.97060	4.4
139.07648	3.1
159.02953	2.6
161.02443	8.9
161.04547	0.6
166.96494	1.2
167.00145	0.7
179.03494	6.4
181.04959	0.8
190.96570	0.7
191.05569	3.2
193.05066	1.9
209.06668	3.0
210.99153	1.4
238.98639	11.9
241.00206	7.0
256.99698	36.7
257.99924	0.9
259.01297	1.7
309.66943	0.7
319.13913	4.7
321.05878	0.8
349.78442	0.8
353.08786	10.9
367.10495	0.8
385.11334	1.9
413.21838	2.0
431.22800	15.8
432.23282	1.6
441.47141	0.7
511.20175	9.3
512.20691	1.1
551.17371	0.7
561.35211	0.7
593.27203	0.8
673.23700	100.0
674.24023	16.3
674.35388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03455	3.6
58.93226	2.4
59.01377	70.3
61.98812	3.1
69.03452	24.6
69.28566	4.2
69.28973	20.7
70.07146	2.3
71.01375	29.6
72.99306	4.6
73.02934	12.3
75.00847	3.3
83.01389	6.0
85.02947	27.9
87.00864	4.2
88.98797	2.9
89.02476	3.3
95.01381	8.6
96.95990	16.9
97.02942	30.8
99.00864	6.9
99.04530	3.3
101.02452	17.3
111.00885	4.4
113.02438	13.3
141.01961	21.7
142.26913	2.5
150.06903	5.6
151.07280	4.5
152.07260	2.9
152.26930	2.7
161.04565	3.9
162.25630	2.8
163.07605	5.8
235.16986	12.7
259.90005	2.6
325.23547	2.7
333.59653	3.3
343.22614	2.4
351.04715	2.8
395.20471	5.8
413.21909	13.4
437.21445	5.6
455.22833	100.0
456.23221	11.6
509.34738	5.0
510.35025	6.5
511.35284	8.0
566.21490	2.4
567.23621	3.4
595.91754	2.4
597.10925	3.5
597.25488	92.4
598.25629	17.6
672.40112	17.6
673.23785	4.4
673.40863	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4005
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03423	0.6
59.01372	2.0
61.98837	0.8
62.15762	0.4
62.35918	0.4
63.64907	0.4
66.09685	0.4
70.81621	0.8
70.81957	0.6
71.01376	1.0
75.00875	0.6
79.95713	1.0
80.96491	0.5
82.02958	0.7
85.02953	1.2
87.00867	0.9
89.02418	0.6
96.95991	5.5
99.04495	0.7
101.02435	0.6
109.04042	1.0
111.00871	0.6
111.01991	0.4
111.63816	0.5
113.02454	0.6
113.07214	1.1
116.07181	0.5
118.06604	1.1
121.02953	0.5
125.07211	2.0
127.05120	3.4
127.08761	1.8
127.11252	0.6
134.03731	0.6
136.05258	0.7
137.03578	2.3
137.06099	0.8
144.04550	2.6
149.06068	5.5
150.06847	34.3
151.07324	1.0
155.10738	0.9
158.06055	0.6
160.07617	1.0
161.02380	0.5
161.09657	0.8
162.06824	0.7
163.07629	8.1
163.31599	0.4
164.08411	5.0
171.07709	2.4
176.08403	1.1
177.09152	1.2
178.06207	0.9
178.09940	3.2
179.04562	0.9
179.10747	11.4
181.09766	0.7
186.05534	1.9
199.07155	0.4
206.09308	5.5
224.10365	7.9
228.17453	0.4
238.98630	1.2
241.00354	0.5
256.99683	1.5
257.12906	5.2
273.10226	0.4
274.15732	2.0
301.11771	0.5
318.14487	4.8
327.25244	1.1
329.23291	5.1
330.23505	0.5
345.54727	0.4
371.20883	0.5
425.94034	0.5
430.30975	0.6
445.33203	0.9
446.33871	0.4
447.34729	0.6
448.31830	7.5
449.32263	0.7
462.33405	1.5
463.34164	10.6
464.34619	1.6
476.32031	0.5
477.17731	2.3
482.24011	5.7
483.24500	1.0
490.32950	1.8
491.33969	2.8
508.34073	3.6
509.34753	28.7
510.35062	4.0
526.14899	0.7
526.23029	19.7
527.23309	2.9
671.40051	100.0
672.23975	0.7
672.40344	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	673.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06046	1.0
51.48345	1.0
56.39022	1.0
56.81011	1.0
57.03423	3.0
59.01376	51.9
61.98815	1.2
62.19907	0.9
62.24272	0.9
63.54911	1.0
66.33345	1.1
67.01878	1.3
69.03440	4.6
69.48743	7.7
71.01386	7.7
72.70853	1.0
72.99305	7.3
76.29227	1.1
77.70014	1.0
79.01898	2.1
79.95731	15.7
80.96499	2.2
81.95312	1.1
83.01380	1.7
85.02940	11.7
87.00880	4.8
87.04500	1.4
89.03938	1.3
93.03439	1.7
95.01372	1.4
96.96004	56.1
97.02958	5.0
97.06587	1.7
99.00859	2.7
101.02376	1.8
110.97559	1.8
111.00865	5.4
113.02445	1.6
115.04036	1.3
117.03445	3.0
123.04530	1.9
129.01929	9.7
132.02156	2.0
134.03731	70.0
135.04008	2.6
135.08154	1.2
137.02388	3.6
138.97083	1.1
140.71449	1.0
141.01889	3.2
147.08177	2.2
149.06064	13.8
155.03516	4.7
159.02921	2.8
160.01643	17.2
161.02318	2.0
173.04596	5.2
175.03989	25.1
176.04620	1.3
178.02736	2.7
191.05588	11.0
191.07143	1.7
193.05032	64.4
194.05338	3.2
209.06628	20.6
217.04767	1.0
217.08635	1.5
225.09167	1.8
225.11302	30.1
226.11726	1.9
233.08197	2.0
235.05984	3.2
238.98599	2.1
241.00189	2.2
243.15982	1.2
256.99637	3.6
275.05380	1.8
289.92493	1.0
313.97473	1.0
335.07867	1.6
360.09863	27.7
360.60028	10.8
361.09949	3.4
361.59683	1.3
367.10321	42.3
368.10651	4.6
385.11356	14.1
386.11292	1.3
417.17560	3.3
463.20029	2.4
500.09857	1.0
593.12878	2.5
593.22327	51.7
594.22791	8.0
648.19281	1.1
673.17883	100.0
674.07672	1.6
674.18274	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2674
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
57.54817	4.3
58.84013	4.3
60.01736	3.9
61.98826	23.6
69.58226	5.6
69.71483	28.5
82.72339	4.7
87.28373	4.1
95.06845	3.8
98.19977	9.5
112.61559	4.1
128.15775	4.9
381.93054	5.2
671.26697	100.0
672.27014	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	671.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03431	3.2
59.01091	0.9
59.01376	13.3
61.98793	0.8
68.99805	1.7
69.03442	5.1
69.48369	5.0
71.01376	15.6
72.99311	3.7
73.02946	2.8
79.23370	0.7
79.95736	7.0
80.96533	0.7
83.01398	3.2
83.05062	0.7
85.02943	13.5
87.00860	6.6
87.04504	1.8
89.02430	3.9
93.03468	1.2
94.98143	0.7
96.96010	13.5
97.02953	7.0
97.16832	0.7
99.00861	3.5
100.24896	0.7
100.99699	0.7
101.02441	6.5
101.53439	0.7
111.00871	2.9
113.02413	4.7
115.03973	1.8
119.03504	1.7
124.01669	1.0
125.02437	1.0
129.01932	7.0
134.03728	0.8
135.04483	0.6
137.02420	2.5
141.01920	2.6
149.02499	0.8
150.03262	1.4
159.02928	1.0
165.05537	1.0
166.05783	0.8
172.38544	0.8
191.05614	2.5
193.05040	1.2
195.06818	0.9
209.06616	3.4
237.15144	0.8
237.18987	0.8
238.98537	0.9
239.16449	4.3
241.00238	1.1
255.19620	8.6
256.99643	3.2
257.17551	23.4
258.17993	1.6
312.12338	1.2
313.12711	1.1
329.20041	0.7
356.22891	0.7
399.23312	0.8
417.24890	8.6
418.25015	1.0
419.22842	23.3
420.23126	2.6
428.43143	0.7
429.21039	1.0
460.15442	0.7
461.17972	1.0
461.24161	1.4
479.24869	12.5
480.24738	0.9
491.28778	0.7
509.17758	1.0
621.27399	2.2
631.24426	1.1
653.30621	1.7
671.21881	7.5
671.31384	100.0
672.22095	1.7
672.31775	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	669.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58135	0.4
52.66724	0.3
53.52128	0.3
55.01883	2.5
57.03453	2.2
58.00579	1.3
59.01376	23.8
61.98816	0.6
69.03464	0.6
69.31566	2.8
71.01377	26.1
72.01733	0.4
72.99302	1.9
73.02942	6.9
75.00868	0.8
79.95737	0.6
83.01379	4.2
85.02948	12.5
87.00877	2.1
89.02437	10.3
95.01372	2.8
96.96008	2.6
97.02940	1.1
98.19824	0.7
99.00888	3.0
101.02438	18.6
111.00858	3.1
113.02434	10.7
119.03503	3.9
119.38512	0.3
125.02407	0.5
129.01927	0.9
134.03717	1.1
135.04514	5.3
136.04842	1.3
141.01921	0.4
143.03468	0.7
159.03004	1.7
161.02437	0.5
161.04515	2.6
175.03975	0.3
179.05557	0.4
193.04962	0.5
240.26395	0.4
246.08163	0.5
256.99765	0.4
264.08746	2.1
265.08969	0.9
294.98044	0.3
299.25803	0.7
302.06351	0.5
342.11417	0.6
342.61627	0.5
345.30090	1.8
360.09814	0.5
367.10275	0.4
401.87360	0.3
501.15088	0.4
507.35309	6.8
508.35428	0.9
669.40601	100.0
670.17572	0.7
670.40955	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	671.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
59.01371	4.1
71.01375	7.2
72.62513	0.4
72.99306	1.8
73.02924	0.8
75.00866	6.5
79.95731	12.0
80.96519	2.4
83.01382	0.7
85.02943	2.4
87.00874	1.6
89.02437	1.5
95.95229	10.8
96.96001	100.0
98.20721	0.9
99.00874	1.3
101.02431	2.6
110.97571	11.1
111.00830	0.7
113.02422	1.6
122.97584	1.0
129.01903	2.4
138.97058	9.2
150.97021	2.1
159.02963	0.7
168.98022	1.4
177.04044	9.7
180.97913	0.6
198.99144	6.2
202.23140	0.5
213.00558	0.8
222.99026	0.6
225.00648	1.3
235.16930	0.5
238.98601	0.8
241.00175	2.5
256.97031	0.6
256.99701	8.4
259.01282	5.9
339.08392	0.9
353.10437	0.6
413.21579	1.1
591.17719	0.6
591.26489	10.3
592.26233	1.5
611.14093	1.0
671.15894	71.4
672.16351	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	669.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67434	0.5
59.01366	0.9
71.01361	0.6
73.22781	0.5
75.00858	0.5
79.95732	4.0
80.20526	0.4
93.03474	0.9
96.96003	100.0
101.02432	0.7
108.02149	3.6
109.02969	0.9
111.08257	0.5
113.02517	0.6
119.04958	0.4
121.02959	3.1
123.04563	0.5
126.21230	0.4
130.08740	1.3
130.76942	0.5
133.05362	0.8
134.03751	2.5
135.04503	1.6
136.01617	1.0
137.02440	1.3
137.06081	2.4
148.04045	0.6
149.04805	2.8
149.05948	0.8
150.03291	1.1
159.04462	0.6
160.04025	0.9
161.02371	0.7
164.07080	0.7
165.05678	0.5
168.04311	0.6
175.02678	1.7
190.05023	2.9
209.04532	17.0
210.04851	0.6
218.04498	0.6
229.87872	0.6
237.05618	0.9
239.07147	1.7
248.04779	0.5
249.05533	1.0
251.03537	0.8
265.05017	0.5
266.05905	0.7
267.06583	7.7
268.07202	1.8
279.06573	1.1
280.07422	0.6
281.08154	2.1
282.09000	5.6
283.09744	3.9
293.04456	0.7
293.76468	0.5
296.10406	3.2
297.11292	8.9
298.11368	1.1
309.07639	1.1
310.07440	0.7
323.08710	0.6
336.05005	0.5
338.10281	1.1
352.08051	0.9
352.11972	1.2
386.33755	0.6
402.13431	1.7
422.10458	0.6
430.12946	7.0
431.13245	1.0
432.18536	2.9
433.18228	0.7
445.15265	5.8
446.15558	0.9
458.16071	1.3
460.17642	19.4
461.17978	2.9
462.19363	0.6
486.15561	7.7
487.15906	1.0
488.17172	1.3
489.85144	0.5
490.18961	1.3
501.16852	0.5
506.18121	1.2
513.16718	0.8
513.75726	0.5
528.28125	0.9
545.11926	0.6
545.19220	2.8
619.21326	0.5
651.23413	10.8
652.23950	1.9
669.24432	10.7
669.34729	1.8
670.24200	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	667.507
Annotation	Petroformyne 1
Peak:m/z	Relative Intensity
58.31582	29.5
59.01387	32.2
66.08011	31.5
68.21461	29.5
70.12280	100.0
75.12532	30.8
98.20511	47.8
116.92808	50.8
141.94638	28.9
391.42328	28.9
452.97134	30.2
667.51074	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00614	0.6
59.01379	9.3
61.98806	0.8
68.26939	0.6
68.99784	0.6
69.03436	1.8
71.01372	4.3
71.62789	0.7
72.99292	0.9
74.99094	4.0
79.95729	1.2
81.03443	1.3
83.01391	1.4
85.02925	3.0
87.00881	1.3
88.98774	0.6
89.02415	1.8
93.03407	1.0
95.01380	3.0
95.95256	0.5
96.84212	0.6
96.95999	6.4
97.02940	3.7
99.00845	1.1
101.02420	2.2
101.61422	0.6
107.01410	1.4
108.02181	0.8
109.02921	1.1
111.00827	0.8
113.02430	1.6
117.03425	1.5
119.03527	0.7
119.05017	1.4
120.99668	1.0
121.02939	1.3
122.03731	1.4
123.00876	11.4
124.01659	23.6
125.02444	29.2
126.02779	0.9
129.01935	2.0
132.02124	1.7
134.03732	15.4
135.04523	1.1
136.01630	1.0
136.99152	3.1
137.02441	3.3
148.05270	1.7
149.02443	2.8
149.06023	2.1
149.99574	35.9
150.03221	5.7
150.04361	0.8
151.00403	3.5
151.03949	0.8
153.01929	0.9
155.23563	0.6
160.01651	9.4
161.02357	1.6
163.03958	2.1
164.04671	0.9
165.01834	1.0
165.05553	6.6
167.03450	2.0
168.00627	70.2
169.01331	6.0
175.03976	9.5
175.99275	0.6
178.02583	0.8
178.05107	0.7
179.03468	1.8
191.05530	1.0
193.01364	1.6
193.05025	9.6
194.05553	1.2
195.06584	10.5
209.06467	2.7
209.08304	2.7
210.08640	0.6
211.02335	0.6
223.05904	0.7
241.00270	1.0
256.99609	0.7
293.45773	0.6
298.24496	0.7
312.12241	3.8
313.12692	1.1
367.10355	2.8
385.11435	8.5
405.15768	0.8
460.17325	0.9
475.10721	1.5
490.18735	1.1
493.11682	7.0
493.17807	1.0
508.19516	0.8
508.36896	0.6
531.14642	1.5
669.16595	100.0
670.16937	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	665.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
57.03435	2.9
58.00583	2.9
59.01377	78.8
60.01719	1.3
61.98827	6.6
63.35200	1.0
71.01379	55.7
72.01689	1.0
72.99314	3.9
73.02940	12.0
75.00887	2.2
79.12579	0.9
79.95725	5.6
80.96544	1.0
83.01395	7.4
85.02945	23.9
87.00854	5.5
87.04521	2.5
89.02440	28.9
95.01392	5.3
95.95197	1.4
96.96006	10.6
97.02943	3.7
98.19825	1.7
98.95593	1.8
99.00868	6.6
101.02441	31.0
111.00896	2.3
113.02440	27.7
116.20303	0.9
119.03497	11.3
124.01622	1.1
125.02454	3.6
129.01909	2.9
131.03493	2.0
134.03659	1.6
137.02484	1.0
143.03473	4.6
159.02925	2.7
161.04543	7.3
175.04024	1.0
179.05588	4.5
179.69896	0.9
193.04898	1.9
360.09772	6.9
360.60074	3.1
361.09842	3.8
361.59836	4.1
399.23911	7.5
417.25027	6.5
448.76508	1.1
459.26102	1.7
463.20438	1.5
547.27563	2.0
561.29095	100.0
562.29291	13.4
579.30151	65.3
580.30310	8.7
621.31311	31.4
622.31415	4.8
665.25287	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03441	1.6
57.74157	0.3
59.01369	3.4
64.72752	0.3
71.01376	4.7
71.05398	0.3
72.99295	1.0
73.02939	0.6
75.00869	1.3
76.97014	0.6
79.95731	27.2
80.96510	18.8
83.01383	3.7
85.02944	2.9
87.00867	6.7
89.02426	0.7
94.98081	2.1
95.01371	0.3
95.95221	3.5
96.96001	81.9
99.00871	3.4
101.02418	1.9
103.00389	0.7
104.53009	0.3
111.00871	16.7
113.02450	1.7
115.00375	1.3
120.96023	2.7
122.97605	0.3
126.08851	0.3
127.00365	2.0
129.01936	8.5
136.95482	0.9
138.97058	6.3
141.01910	0.5
147.02989	0.5
150.97075	0.6
154.96556	1.5
159.02988	3.3
162.97002	0.4
166.96558	1.3
167.00198	1.2
176.98557	0.4
177.04077	1.3
180.98132	0.6
182.95929	0.5
190.96535	0.8
192.98111	1.0
196.97549	0.5
208.97577	0.3
210.99170	3.3
213.00648	0.4
238.98647	20.1
239.99007	0.5
241.00215	8.9
242.00453	0.3
256.99701	51.9
258.00031	1.8
259.01303	0.5
370.07809	0.3
607.37079	1.0
612.68964	0.3
623.27258	0.6
625.37439	0.5
667.22687	100.0
668.23016	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	665.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59966	1.0
55.01856	1.6
57.03447	6.7
58.00567	1.2
59.01379	41.3
61.98822	1.2
64.42948	1.2
67.01893	1.7
68.12995	1.0
68.99801	2.0
69.32041	4.6
69.32466	6.2
71.00983	2.1
71.01376	35.3
72.99305	9.6
73.02950	10.4
75.00861	10.3
79.95731	1.7
83.01378	4.1
83.40897	1.0
85.02947	35.2
87.00867	9.5
87.04495	3.5
88.98811	1.6
89.02441	8.8
95.01369	4.8
96.65704	1.1
96.96001	20.5
97.02944	5.9
98.95596	2.4
99.00877	15.5
101.02437	17.1
102.61113	1.1
103.00373	1.1
111.00871	3.8
113.02443	20.2
115.00352	2.1
115.04003	3.2
117.01891	1.8
119.03459	2.9
121.02946	1.8
129.01935	11.1
131.03557	1.4
134.03726	1.9
137.02394	1.6
141.01927	1.7
150.03207	4.5
151.04042	1.3
161.02444	1.9
161.04514	1.7
163.14896	1.9
165.05522	3.1
166.02716	1.3
179.03609	1.2
181.05026	2.5
191.05588	5.4
193.04968	1.9
195.06462	1.8
203.03430	1.6
209.06577	3.6
218.05887	1.5
219.14783	1.2
235.16939	1.9
236.06812	1.3
237.18582	22.5
238.18930	1.4
249.06053	6.6
251.09134	2.3
253.18073	7.7
315.83911	1.2
367.10410	1.8
387.20001	1.5
415.23386	9.6
429.21216	18.6
430.21545	2.9
522.81799	1.2
571.23865	3.2
621.27533	79.8
622.27753	13.8
623.26465	1.6
629.22546	9.7
645.48999	1.2
647.28400	1.3
665.30115	100.0
666.30493	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	665.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
57.03440	5.1
59.01377	24.3
61.98798	1.2
67.01879	1.5
68.99805	2.0
69.53528	3.6
71.01378	20.3
72.99299	5.9
73.02934	4.9
75.00856	0.9
79.41783	0.7
79.95724	2.3
83.01369	4.9
85.02944	24.2
86.00085	1.1
87.00863	8.3
87.04497	2.4
87.41352	0.7
89.02448	3.2
95.01356	1.4
96.96001	11.0
97.02945	7.2
99.00869	5.5
101.02436	8.8
111.00890	3.5
113.02428	7.2
115.03979	3.0
119.03490	1.6
124.01640	0.7
125.02384	0.7
129.01941	10.1
133.03003	0.6
134.03691	1.5
134.13574	0.7
137.02441	0.7
138.01929	1.1
141.01935	2.0
153.01891	0.6
159.02951	1.5
161.02434	2.2
173.04488	0.9
175.04039	0.6
177.34415	0.6
191.05605	7.4
193.05040	1.0
209.06664	4.9
225.14932	3.4
227.39070	0.8
237.60272	0.8
241.04985	1.2
256.07309	0.9
256.99771	1.0
257.08331	1.0
369.19046	4.3
387.20193	15.8
388.20560	1.4
413.15128	0.8
419.13525	0.8
429.21198	18.2
430.21609	2.3
461.67905	0.8
571.23846	3.5
579.26471	1.6
621.27557	100.0
622.27844	15.2
665.27930	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	665.265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17341	0.7
55.01868	1.9
57.03449	5.6
58.00594	0.9
59.01376	37.8
60.01725	0.9
61.98809	0.9
67.01907	0.9
68.99808	2.5
69.75696	1.6
69.76113	2.9
71.01378	25.0
71.64149	0.6
72.99307	6.4
73.02941	6.6
75.00861	3.1
79.95718	2.0
83.01382	5.9
85.02427	1.4
85.02946	27.2
86.00080	0.8
86.03310	0.8
87.00873	7.6
87.04512	2.6
89.02432	4.6
95.01385	2.4
95.04987	0.9
96.96008	10.0
97.02928	7.5
98.20597	1.2
99.00861	8.1
100.13744	0.8
101.02440	13.6
104.68452	0.7
111.00885	3.7
113.02441	11.2
115.04018	2.4
119.03510	1.5
125.02444	0.8
129.01947	7.7
134.03716	4.6
135.04564	0.9
137.02467	0.8
141.01913	2.6
143.03513	0.9
148.27628	0.7
152.78035	0.7
159.02953	2.2
160.01648	1.4
161.02394	1.1
161.04543	2.7
170.84633	0.7
175.04073	1.7
177.09082	0.7
191.05623	6.8
193.04993	4.2
209.06589	3.4
249.06087	2.6
253.17673	0.8
256.99545	0.9
259.06061	0.7
267.07220	3.2
369.18954	1.3
387.20160	4.3
429.21237	26.7
430.21597	2.2
443.11938	3.7
444.12244	0.8
463.51575	0.8
489.16248	2.4
571.23712	4.8
579.26685	2.0
621.27539	100.0
622.27954	15.3
665.19562	8.2
665.29419	6.1
666.21063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70422	0.4
52.58478	0.4
58.00578	0.4
59.01377	7.4
60.01689	0.5
61.29228	0.4
61.98820	0.6
64.48981	0.5
71.01369	5.0
71.62849	0.5
72.01752	0.4
72.99338	0.4
73.01814	0.4
73.02940	0.9
79.95732	0.9
83.01383	1.0
85.02949	1.7
88.98814	0.5
89.02435	2.7
93.03436	0.6
96.96004	3.7
97.02968	0.6
99.00839	0.6
101.02444	1.9
107.01395	1.6
108.66959	0.4
113.02435	3.0
116.92794	0.8
119.03493	1.8
130.08740	3.0
132.02147	1.1
133.02942	0.8
134.03725	1.3
135.00870	1.2
135.04526	1.0
136.99052	0.5
143.03502	0.7
148.05269	1.8
151.00327	2.6
151.04019	0.5
161.02391	1.1
161.04533	0.8
163.00371	1.2
165.01927	0.7
175.03954	0.9
177.04234	0.6
178.05052	0.8
178.99890	1.3
179.03488	1.0
183.04486	0.9
185.06017	0.8
193.05037	1.0
201.05525	0.5
209.06731	0.7
211.04008	1.8
227.03468	34.7
228.03827	2.5
229.04973	2.8
239.03528	1.2
255.02956	66.2
256.03528	8.1
257.04477	3.1
267.02646	0.6
283.02319	0.8
284.03229	100.0
285.03918	24.4
286.04266	1.6
327.05051	0.7
327.11655	0.6
342.13425	4.0
449.14441	0.6
471.09207	1.0
489.10678	0.7
560.27686	1.4
561.12354	1.4
561.28278	1.4
578.28687	1.0
579.13586	4.5
579.28564	1.0
621.14514	87.0
622.14795	11.8
664.32129	2.4
665.33411	2.9
666.24432	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	6.1
59.01099	2.8
59.01377	44.5
61.98822	7.7
69.03413	3.9
71.01376	32.0
71.62602	1.8
72.99281	8.9
73.02930	4.9
75.00856	10.2
79.95716	6.1
81.03444	2.5
83.01375	5.3
83.05028	1.6
85.02943	31.1
86.36679	1.4
87.00877	9.3
87.04484	3.6
89.02445	11.5
89.02895	1.7
93.03428	1.8
95.01374	5.0
95.05028	2.7
95.95243	1.7
96.95454	1.8
96.96010	21.8
97.02930	4.0
99.00865	11.7
101.02441	11.7
103.00304	3.2
105.21994	1.4
109.06558	2.3
111.00901	3.9
113.02446	27.3
115.00362	3.1
115.03972	1.6
116.92851	2.2
117.03451	4.3
119.00107	1.4
119.03500	2.4
120.99652	12.4
129.01886	6.9
131.03606	2.7
133.02934	1.9
134.03723	35.1
135.04527	3.1
135.08134	3.3
141.05515	2.2
144.04575	1.9
147.04536	1.6
149.06044	4.2
152.07173	2.6
160.01616	8.4
161.02383	4.3
175.02554	3.4
175.03949	14.6
177.09138	9.2
188.78571	1.6
190.05067	2.5
191.05565	4.3
193.05020	29.4
194.05391	1.5
195.10233	5.0
209.06599	4.7
221.08093	2.0
239.09155	1.8
249.06059	10.6
267.07040	24.4
272.02634	1.4
278.67844	1.8
299.01996	2.7
299.05423	2.2
299.16476	1.7
314.04083	2.9
315.04990	3.8
377.12555	1.6
381.10965	2.9
387.20251	2.9
403.59903	2.4
427.16229	2.5
429.15533	2.7
429.21155	23.0
443.11874	22.3
444.11966	2.9
471.14618	2.3
489.16190	19.1
490.16296	2.0
579.89667	1.5
603.20502	3.3
621.28052	20.2
622.28503	2.2
647.19562	1.9
665.20538	100.0
665.29559	5.4
666.21240	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	663.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
57.03437	1.3
59.01376	100.0
61.98829	3.8
71.01381	33.8
71.28798	1.5
72.99304	2.1
73.02946	3.5
78.95893	4.3
80.96510	1.9
83.01398	2.7
85.02952	7.1
87.00863	5.2
89.02431	31.0
95.01386	1.2
96.95995	1.8
99.00904	2.4
101.02431	16.0
113.02438	14.5
119.03497	12.0
119.04967	1.3
125.02446	1.5
131.03513	3.1
141.01703	2.0
143.03470	4.8
152.99521	2.0
161.04517	9.1
179.05623	13.9
189.90144	1.0
200.10626	1.1
221.06633	4.1
270.10684	1.3
279.23273	77.1
280.23795	8.1
293.24808	4.5
300.58664	1.5
321.24310	3.1
323.09836	19.3
341.10858	36.8
342.11044	2.1
375.25391	1.7
413.04721	1.4
579.28516	1.8
581.28967	1.8
603.33752	13.7
603.42773	4.8
604.33893	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	663.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28001	0.2
59.01376	100.0
59.88673	0.2
60.01712	1.0
61.98823	0.3
67.37016	0.2
69.94981	0.2
70.92627	0.7
71.01383	2.9
73.02952	1.0
73.63688	0.2
77.37859	0.2
77.77324	0.3
78.95909	0.5
80.49957	0.2
83.01377	0.5
85.02938	1.8
89.02448	0.3
91.80800	0.3
95.01466	0.3
97.74552	0.3
99.00868	0.5
101.02435	2.5
103.64821	0.2
113.02429	1.5
152.63686	0.3
152.99586	0.3
159.03017	0.4
161.04530	3.7
161.94786	0.2
338.05551	0.3
579.27936	0.3
603.42627	6.3
604.43274	0.9
663.44897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78493	1.0
53.57376	0.8
55.01873	2.0
56.70358	1.0
57.03436	3.3
58.00584	4.0
59.01376	100.0
60.01726	1.0
60.99298	0.9
70.74265	0.9
70.74586	2.3
71.01379	59.5
72.99309	5.6
73.02946	7.9
79.95711	1.2
83.01379	4.1
85.02946	19.0
87.00867	3.5
89.02439	47.0
91.37090	0.9
95.01391	4.9
96.96011	10.1
97.35117	1.0
99.00900	2.1
101.02435	29.2
113.02437	35.2
114.02717	1.3
119.03496	15.3
120.01205	1.0
125.02464	2.0
129.01952	1.5
130.08694	4.6
131.03520	3.1
134.03720	3.7
135.04492	0.9
137.02420	1.6
143.03511	5.5
143.04454	0.8
149.04564	2.3
149.06049	0.8
153.01862	0.9
161.04517	9.5
165.01884	1.3
175.03996	1.9
179.05583	9.8
183.60349	0.8
185.89127	0.9
191.05597	1.1
193.05031	3.1
209.06612	1.2
211.06105	1.6
211.88425	1.0
228.70779	1.0
331.09970	1.0
397.22342	1.6
415.23270	2.5
559.27509	66.7
560.27753	11.8
577.28571	48.5
578.29010	8.6
601.80701	1.0
619.20532	1.2
619.29761	15.0
620.29926	2.7
663.22778	1.9
664.31940	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	663.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03436	2.7
58.00570	0.7
59.01097	1.0
59.01377	19.1
67.01871	1.0
68.99799	0.9
69.03459	1.7
71.01376	21.1
71.62554	1.0
72.99306	4.4
73.02933	5.3
75.00864	9.8
79.95706	1.0
81.03455	0.5
83.01382	2.3
85.02943	19.9
87.00884	4.7
89.02438	6.6
94.91528	0.6
95.01382	4.7
96.95983	3.4
97.02916	0.9
98.95553	0.6
99.00874	7.6
101.02438	6.2
103.00354	1.5
111.00879	0.8
113.01688	1.1
113.02442	17.6
115.00372	1.2
115.04071	0.6
117.01936	1.2
119.03488	1.1
129.01929	1.5
157.01341	0.6
161.04578	1.1
164.59343	0.6
175.02409	1.9
196.58295	0.6
213.32983	0.5
214.48988	0.5
231.05115	0.6
235.16954	5.7
244.48906	0.5
249.06096	3.0
251.16464	1.4
267.07217	2.9
413.21786	4.9
414.22015	0.6
485.23724	2.1
559.27301	2.9
577.28790	2.5
619.28253	0.7
645.27582	0.9
663.28589	100.0
664.28925	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	661.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84610	0.2
55.01872	1.0
57.03442	4.5
59.01369	1.5
67.01862	0.5
68.99807	0.9
69.03439	0.4
71.00738	0.2
71.01376	3.4
72.99294	1.9
73.02946	0.4
75.00861	18.3
76.01205	0.2
83.01353	0.8
84.02158	0.3
85.02940	19.8
86.00071	0.2
86.03258	0.4
87.00866	1.8
89.02442	0.5
95.01382	2.3
95.09991	0.2
96.95975	0.6
97.02953	0.5
99.00867	2.0
111.00868	0.3
112.01647	0.9
113.02435	9.3
114.02765	0.2
115.00351	0.8
116.01118	0.8
117.01924	0.7
120.02119	0.2
129.01897	0.9
130.99811	0.3
139.00323	0.3
157.01352	1.0
175.02431	0.9
253.89360	0.2
277.14236	0.2
419.12549	0.2
423.32562	0.4
439.32275	0.3
441.33655	1.7
442.34436	0.3
467.31418	0.7
483.30991	0.9
485.32654	9.0
486.32938	1.3
527.33740	0.4
539.33966	1.2
540.34406	0.2
541.31750	0.4
581.35504	0.2
585.34143	3.4
586.34656	0.6
643.34540	0.4
661.35815	100.0
662.36182	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.2
53.64488	0.2
55.01871	1.3
57.03444	2.6
58.00591	0.5
59.01377	15.4
60.01709	0.3
67.01880	0.6
68.99825	1.3
69.03450	1.0
71.01379	19.3
71.05010	0.4
72.99302	4.3
73.02944	4.0
75.00868	12.0
81.03437	0.6
83.01380	2.3
84.02153	0.4
85.02948	18.3
86.00063	0.3
86.03271	0.4
87.00872	4.0
89.02439	4.1
91.03976	0.3
93.03440	0.4
95.01376	4.1
96.96009	0.6
97.02943	0.6
98.20623	0.5
99.00873	7.8
99.04503	0.8
101.01762	0.3
101.02438	6.3
103.00378	1.1
109.02960	0.3
111.00877	0.8
111.04486	0.3
113.02444	15.0
114.02797	0.4
115.00352	1.4
117.01920	1.5
119.03442	0.5
129.01930	1.6
131.03423	0.4
139.00302	0.4
147.03166	0.2
148.05278	0.4
157.01393	0.8
159.02989	0.3
161.04591	0.3
175.02448	1.3
189.04012	0.3
205.07129	0.4
231.05011	0.9
233.15436	0.4
235.17006	6.6
236.17365	0.4
249.06113	8.0
250.06482	0.4
251.16495	1.9
267.07101	1.2
312.12372	0.8
413.21780	5.4
414.22006	0.6
485.23950	2.3
645.27234	1.2
646.27399	0.3
663.28619	100.0
664.28973	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	660.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	100.0
61.98825	0.9
71.01389	0.6
78.95907	1.7
80.96510	1.7
85.18996	0.6
96.96011	1.0
141.01689	76.6
141.55183	0.7
142.02031	1.3
175.20932	0.6
181.84668	0.6
225.00694	0.7
230.16098	0.8
279.23315	3.1
280.44092	0.6
311.49799	0.7
437.97037	0.7
504.31198	2.4
577.27545	0.8
578.27136	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	661.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
60.99301	2.3
61.88026	1.4
61.98832	7.5
68.25012	1.3
71.01379	2.8
71.62067	1.3
88.98800	12.7
89.02441	2.1
93.03451	5.9
96.96007	22.4
122.03709	4.2
135.04500	2.8
136.01611	1.5
137.02477	8.4
146.23271	1.4
149.02411	15.7
150.03218	41.8
151.03981	1.8
160.01573	3.1
164.04759	5.1
165.01924	29.5
165.05554	56.1
167.03307	2.0
175.03949	3.0
180.04257	28.5
195.06595	90.2
196.06926	4.8
196.16838	1.5
243.08691	8.4
299.07788	1.8
301.07123	3.5
315.08426	1.8
316.09354	2.0
331.11874	10.7
377.65292	1.6
391.14105	14.3
439.16031	100.0
440.16449	12.2
625.71490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20159	1.2
58.00584	1.3
59.01376	53.1
59.84454	1.3
61.98828	2.5
71.01377	44.0
71.62045	2.1
72.99323	3.0
73.02949	3.4
73.46623	1.1
79.95743	2.6
80.96532	7.4
82.96109	2.4
83.01381	4.6
85.02957	6.3
85.41034	1.3
87.00870	14.0
89.02441	50.3
94.98100	2.5
95.01392	1.9
96.95996	1.9
101.02439	25.2
113.02443	20.1
114.02722	1.3
119.03496	22.2
125.02469	2.1
131.03490	3.9
134.97566	2.0
136.44701	1.4
137.66864	1.2
141.01942	1.4
143.03481	8.2
149.04460	1.7
159.02847	1.2
161.04543	10.4
164.98705	1.9
179.05594	19.6
205.66798	1.1
225.00920	1.4
233.22766	1.2
243.70587	1.4
277.21695	100.0
278.22009	8.6
291.23264	3.0
319.22809	4.5
323.09805	29.4
324.10181	2.5
341.10849	59.3
342.11084	3.7
447.01743	1.4
499.30521	2.6
577.26813	11.9
579.27203	11.5
580.26526	1.6
601.32324	14.6
602.32068	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	659.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03443	1.6
57.22300	0.3
59.01380	2.3
66.06950	0.4
68.55854	0.3
69.03468	0.3
69.36160	2.4
71.01375	3.3
72.99310	1.0
73.02972	0.5
75.00874	0.7
79.95733	14.2
80.96510	13.8
80.96993	0.6
81.95320	0.7
83.01370	2.0
85.02961	1.9
86.93140	0.3
87.00870	5.9
89.02444	0.7
93.13597	0.4
94.98088	1.8
95.01390	0.4
95.95233	0.8
96.96004	65.1
97.95917	0.4
98.95598	0.9
99.00890	2.8
101.02421	2.0
103.00395	0.6
111.00871	12.0
113.02427	1.2
115.00383	0.8
119.03500	0.5
120.95998	2.5
127.00383	1.9
129.01935	6.9
135.04483	0.5
136.95503	0.7
137.02399	0.5
137.96263	0.4
138.82542	0.4
138.97069	4.6
147.02846	0.4
150.97083	0.4
154.96585	1.9
159.02972	2.2
166.02608	0.5
166.96555	1.0
167.00182	0.8
168.80084	0.3
177.04051	0.9
180.98038	0.6
182.95938	0.4
190.96539	0.4
192.98143	0.8
196.97697	0.5
205.93317	0.4
209.97087	0.4
210.99147	2.6
213.19044	0.3
213.21529	0.3
238.98636	17.8
239.98967	0.6
241.00229	10.9
241.02721	0.5
256.99704	48.5
258.00058	1.6
343.25790	0.4
419.04941	0.5
479.19437	1.1
481.20328	0.6
603.81555	0.4
659.25769	100.0
660.26141	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	660.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19633	0.5
54.41953	0.5
54.58676	0.5
59.01375	100.0
60.01699	0.7
61.98819	0.8
70.41029	0.6
71.62386	0.8
78.95924	1.0
80.96520	1.9
84.95086	0.6
96.96007	0.7
114.31055	0.5
141.01689	79.7
142.02025	1.6
196.16714	0.7
225.00764	0.6
277.21616	0.7
279.23187	4.3
295.29648	0.7
355.75006	0.6
398.07437	0.6
403.19748	0.6
504.30786	3.5
546.18835	0.6
578.27197	2.2
661.39130	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80963	0.6
59.01369	2.5
71.01362	2.5
71.17747	1.2
79.95732	14.2
80.38592	0.6
80.96510	8.1
83.01363	0.9
85.02929	1.8
86.51019	0.6
87.00872	3.0
95.95244	1.4
96.96001	100.0
98.95601	1.4
99.00857	1.3
101.02428	1.3
111.00876	5.6
113.02423	1.0
120.96014	1.5
129.01920	2.9
138.97076	2.9
148.20656	0.6
154.96539	0.7
159.02930	1.6
166.96515	1.5
174.76807	0.7
176.24896	0.7
201.15663	0.7
210.99142	0.9
213.21490	0.6
238.98605	8.1
240.97940	1.4
241.00237	20.7
242.00638	0.7
256.99698	26.7
258.00046	0.9
278.21860	0.6
359.05023	0.7
360.10043	1.4
387.20355	2.5
423.33255	0.8
440.82901	0.6
456.55286	0.7
579.26569	4.3
659.16290	24.7
659.25897	54.2
660.16595	4.2
660.26367	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	659.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01371	1.7
62.81105	0.7
69.28135	6.8
71.01385	3.9
72.99274	0.9
79.95733	13.7
80.96511	13.3
83.01372	2.3
85.02937	1.6
87.00877	5.2
94.98101	0.9
95.95156	0.8
96.96005	63.8
98.95589	2.0
99.00886	2.1
101.02446	1.2
111.00871	11.2
113.02442	1.3
115.00324	1.1
119.00158	0.8
120.96015	1.5
129.01903	4.9
138.97069	4.7
154.96568	0.8
155.19765	0.7
159.03018	1.5
166.96527	0.9
177.03978	1.0
210.99091	2.5
238.98637	17.0
239.98862	0.9
240.97946	1.1
241.00237	13.8
241.02692	0.9
256.99689	47.1
258.00027	2.0
332.49118	0.7
479.19577	1.9
481.21130	5.3
584.53284	0.8
659.25757	100.0
660.26062	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	659.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33850	0.1
59.01369	0.3
61.98835	0.1
68.99830	0.1
69.79093	0.2
69.79504	0.3
70.33314	0.1
71.01376	0.2
72.49770	0.1
78.95897	2.8
79.58544	0.1
79.95736	3.5
83.01364	0.1
85.02934	0.1
95.01394	0.1
96.96004	100.0
96.96886	4.1
97.95950	0.4
101.02423	0.1
113.02451	0.1
115.48511	0.1
123.00901	0.1
133.72688	0.1
136.01659	0.2
137.02426	0.4
138.03232	0.1
139.00307	0.1
147.04488	0.1
149.02443	0.1
151.00354	0.4
153.01942	0.2
153.05553	0.1
165.01907	1.8
166.02707	0.9
175.03964	0.1
177.01941	0.1
179.03464	0.3
180.04271	0.9
181.05046	1.6
182.05405	0.1
191.03436	0.2
192.04248	0.2
193.05011	0.2
194.05792	0.1
195.06593	1.1
198.28951	0.1
203.03448	0.5
207.06535	0.2
209.08008	0.1
210.05289	0.3
218.05812	0.5
223.06114	0.2
225.07677	0.4
233.08128	0.6
235.06169	0.1
236.06882	0.4
251.09219	1.4
256.99667	0.2
373.12747	0.1
375.01730	0.1
387.10745	0.1
393.88080	0.1
433.14969	0.6
449.14261	0.2
611.21234	0.3
640.51593	0.1
659.23401	1.9
660.23535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86816	0.6
57.03431	1.1
59.01378	1.7
65.56504	0.5
69.43979	3.0
69.44405	1.8
71.01388	3.4
72.99310	1.0
78.01823	0.6
78.67961	0.6
79.95735	16.1
80.96510	12.8
83.01378	2.3
84.84580	0.6
85.02953	2.7
87.00878	4.1
94.98073	1.6
95.95229	1.7
96.96007	64.2
99.00885	2.9
101.02458	1.1
111.00878	12.9
113.02438	1.0
115.00343	1.6
116.34478	0.6
120.96021	2.1
121.36683	0.6
127.00352	2.2
129.01935	7.3
138.97058	5.4
146.58578	0.6
150.96973	0.8
154.96524	1.8
159.02956	2.8
166.96469	0.9
167.00188	1.2
177.03952	0.7
190.96544	0.8
192.98053	0.7
210.99176	2.8
238.98645	19.6
239.98911	0.6
241.00191	9.0
256.99704	58.4
257.99994	1.5
348.45123	0.6
479.19312	1.1
657.24268	100.0
658.24585	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	659.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09134	0.1
59.01375	0.7
66.31037	0.1
71.01381	0.5
72.99282	0.2
73.02956	0.1
75.00866	0.3
77.27869	0.1
79.95733	3.3
85.02950	0.4
89.02414	0.2
95.95199	0.1
96.96002	100.0
97.95947	0.4
98.01476	0.1
98.20632	0.3
98.95589	0.1
99.00880	0.2
101.02450	0.2
111.00856	0.1
113.02446	0.3
129.01968	0.1
134.03732	0.2
193.05046	0.3
209.06638	0.1
238.98782	0.2
241.00217	0.2
251.16597	0.2
256.99701	0.3
257.26343	0.1
367.10406	0.2
385.11203	0.3
413.21783	0.6
485.15094	0.1
561.16290	0.1
579.24677	0.4
658.36676	0.2
659.19745	0.6
660.19891	0.1
685.50427	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10906	1.0
56.88958	0.9
57.03442	6.1
58.60327	0.9
59.01377	53.1
61.98822	1.2
67.01887	1.0
67.29090	0.8
68.99804	1.5
69.03436	3.0
71.01382	18.3
71.62413	1.5
72.99313	5.8
73.02934	1.8
78.74471	0.9
79.95740	5.8
80.96503	1.9
83.01382	4.7
85.02944	19.8
87.00878	6.7
87.04507	1.7
88.50275	1.0
89.02441	14.8
95.01366	1.7
96.96009	30.0
97.02937	8.2
99.00872	5.0
101.02444	10.3
111.00866	3.9
113.02450	7.4
115.03990	3.4
119.03486	6.1
127.04010	1.5
129.01936	16.4
130.08739	1.7
135.04506	3.3
138.97037	1.2
139.46454	0.9
141.01912	3.1
159.02963	1.5
163.11292	19.0
167.03410	1.2
173.04648	1.1
179.05470	1.1
191.05630	8.3
207.10229	7.5
208.94980	1.1
209.06650	10.9
211.06099	0.9
216.70245	1.0
223.90810	0.9
225.11305	1.5
241.00098	3.2
359.09760	2.1
387.16577	30.1
388.16782	2.5
417.17776	1.2
486.46835	1.1
579.22894	100.0
580.23145	12.8
623.21313	2.1
656.34430	1.0
659.18561	76.5
660.19031	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	655.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44884	0.5
57.03440	2.4
59.01376	3.6
63.02208	0.6
65.59158	0.5
70.42315	1.5
71.01376	6.3
72.99284	1.7
73.02937	2.0
75.00854	1.4
79.95734	24.2
80.96510	14.7
81.44194	0.6
83.01370	3.4
85.02937	4.0
87.00870	5.9
89.02437	1.5
89.74165	0.5
94.98076	2.6
95.01357	0.8
95.95218	3.2
96.96002	78.3
99.00883	3.7
99.04526	0.7
101.02437	3.0
103.00333	0.8
111.00872	13.7
113.02426	2.1
115.00355	1.8
120.95995	2.2
125.67321	0.5
127.00340	2.1
129.01936	8.6
134.03720	1.9
135.04512	0.9
136.95476	1.0
136.99152	0.8
138.97075	6.0
141.01888	0.6
150.97063	0.9
153.01944	1.4
154.96553	1.3
159.02977	3.2
160.01674	0.8
166.96541	1.5
167.00162	1.0
175.02600	0.8
175.03946	0.9
177.04013	1.0
180.68649	0.7
190.96538	1.1
192.98190	0.7
193.05011	1.4
202.41602	0.6
210.99149	2.4
238.96315	1.1
238.98654	22.2
241.00212	10.7
256.99701	58.6
257.99948	2.3
267.06503	1.0
282.08957	0.9
297.11386	1.1
385.11160	1.5
409.51010	0.7
413.21710	2.6
458.16223	1.5
475.27243	0.8
476.17361	0.9
493.17419	16.1
494.17712	1.1
637.22736	0.7
655.22662	100.0
656.23029	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	655.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	1.0
60.34591	0.4
70.09086	0.6
70.09483	1.0
71.01402	0.6
78.95898	0.8
96.99326	1.2
97.02934	0.4
98.20600	0.4
101.00942	0.5
102.03510	0.4
106.81703	0.3
113.00952	0.4
117.00430	0.6
140.85245	0.4
141.01695	64.9
142.02063	1.0
142.05119	0.6
161.02499	0.5
201.02626	0.4
216.20990	0.4
275.06189	2.3
277.21695	1.6
317.07217	0.9
359.21866	1.1
391.19690	1.5
487.93640	0.4
523.65613	0.4
535.27728	3.0
536.27386	0.6
555.86670	0.4
595.29462	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01370	2.2
69.59164	2.2
69.59569	0.9
71.01378	4.1
72.38696	0.5
72.99294	1.3
75.00865	1.1
79.95731	25.0
80.96510	12.4
83.01377	2.4
85.02940	2.8
87.00864	4.2
89.02438	0.6
94.98080	2.0
95.95219	4.3
96.96004	65.2
99.00871	3.1
101.02445	1.5
111.00873	12.4
113.02457	1.1
115.00354	1.1
120.96021	2.5
127.00335	1.9
129.01929	6.8
136.95477	0.8
138.97079	5.1
140.83589	0.5
141.01878	0.7
150.97139	1.0
153.01942	0.8
154.96538	1.1
159.02997	2.7
166.96550	0.9
176.98595	0.5
177.04068	0.7
190.96527	0.7
192.98184	1.1
210.99196	3.0
238.98643	20.0
239.98811	0.6
241.00203	8.5
255.57773	0.6
256.99701	49.6
257.99915	1.5
259.01251	0.7
479.19150	1.2
552.82208	0.5
657.24249	100.0
658.24658	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	657.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.7
59.01361	1.3
61.98793	0.7
69.58134	2.7
69.58556	2.1
70.66077	0.7
71.01369	2.5
79.95729	28.9
80.96507	12.2
83.01378	1.2
85.02944	1.4
85.87125	0.6
87.00867	5.0
94.98055	1.2
95.95239	2.2
96.96001	59.4
98.19843	1.1
99.00838	2.8
101.02384	1.3
106.53596	0.7
111.00861	9.2
115.00308	1.4
115.11670	0.6
120.95985	1.6
127.00345	1.3
129.01930	4.8
136.95439	1.0
138.97098	3.5
145.34998	0.8
150.97006	1.1
154.96590	1.4
159.02969	1.9
160.30898	0.7
160.77438	0.7
166.96439	0.8
177.03943	1.3
210.99184	2.2
238.98631	14.2
241.00189	9.0
256.99698	40.4
257.99887	1.6
287.23462	0.9
433.65891	0.7
479.19617	4.9
515.96393	0.8
657.24243	100.0
658.24683	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	655.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53061	0.6
57.03420	2.4
59.01362	2.6
66.06575	0.7
69.03449	0.7
70.63070	1.8
71.01374	5.5
72.99316	1.1
73.02945	1.2
75.00853	1.1
77.01139	0.6
79.95730	29.6
80.96509	12.9
83.01374	2.3
85.02943	2.8
86.13361	0.6
87.00867	4.5
88.45752	0.7
89.02417	1.2
92.53512	0.6
93.03446	1.9
94.98058	1.3
95.95219	3.2
96.96004	66.7
99.00864	2.7
100.57484	0.7
101.02438	2.6
111.00866	13.5
113.02467	1.6
115.00368	1.3
120.96012	1.8
121.02947	2.0
127.00369	2.1
129.01935	6.8
133.05348	4.2
134.03635	1.0
134.06090	1.2
135.04497	1.0
138.97083	6.0
154.96532	1.2
159.02954	2.7
160.03984	3.8
166.96512	0.7
177.03917	0.9
193.05087	1.1
194.27536	0.7
209.04500	1.3
210.99149	1.8
213.05771	0.8
223.98146	0.7
238.98650	18.5
239.07076	1.1
241.00203	9.0
246.43268	0.6
256.99701	49.9
258.00073	1.6
263.07132	0.9
265.05249	1.0
267.06613	5.9
269.26849	0.6
282.08920	5.9
283.09473	1.8
293.04599	0.9
293.12427	0.7
294.05334	0.9
297.11276	10.8
298.11765	0.9
308.06763	1.0
309.07590	3.7
310.08493	0.8
323.09219	2.0
350.10120	0.9
382.12668	0.9
385.10788	2.6
400.12958	1.5
403.05569	1.6
413.21625	1.2
415.15485	1.8
428.11417	2.9
441.13248	1.0
443.13669	1.6
458.16113	11.4
459.16446	1.0
475.26959	0.7
476.17120	3.8
484.13864	3.7
493.17459	6.1
502.14835	1.4
561.18243	1.5
576.20160	1.3
594.20483	0.9
595.20520	0.9
619.20605	2.8
620.21381	0.9
624.99884	0.8
637.22278	3.4
655.22693	100.0
656.23083	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	653.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03439	0.9
58.00577	1.6
59.01379	40.4
61.98835	2.8
62.47767	0.5
68.99810	0.8
69.03020	0.5
69.03438	2.3
69.73815	1.9
69.74229	1.0
71.01379	34.0
72.99308	3.1
73.02940	6.0
75.00846	1.1
78.95895	3.7
81.03458	1.6
83.01372	4.9
85.02951	7.1
86.62605	0.5
87.00871	9.8
89.02440	32.3
89.98665	0.6
91.03999	0.6
95.01382	3.4
96.96970	1.0
97.02955	6.3
98.19924	0.6
99.00898	2.6
99.04548	0.5
101.02438	29.6
103.04037	0.6
103.11973	0.5
109.02931	1.1
111.04521	1.7
111.78030	0.5
113.02442	15.1
119.03489	9.6
121.02962	0.7
125.02444	11.6
127.03978	0.8
131.03482	1.9
133.05061	1.1
139.04022	1.1
141.01938	0.8
143.03493	6.3
149.04520	1.1
152.99557	4.8
161.04543	7.4
167.03467	0.6
179.05595	6.8
185.04514	0.7
217.07172	1.0
221.06656	2.3
223.00241	0.9
235.08221	13.5
236.08611	0.5
241.01183	1.4
245.06624	0.8
253.09280	3.4
255.23273	100.0
256.21054	0.6
256.23627	7.4
263.07718	2.1
269.24979	0.7
277.09241	1.5
279.23294	3.9
287.07669	3.6
305.08725	3.7
323.09839	1.9
353.11185	0.5
361.11691	0.6
379.12433	0.8
397.13470	95.7
398.13739	7.8
415.14539	35.9
415.20453	0.8
416.14658	2.6
595.28833	6.2
596.29352	0.7
653.26178	0.5
653.37891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86758	0.5
53.35099	0.6
59.40125	0.7
61.98839	0.7
91.50937	0.7
96.96018	1.1
111.12135	0.7
197.02203	10.7
209.26654	0.7
275.63446	0.7
322.40179	0.7
455.35257	100.0
456.35620	13.8
456.45306	0.8
653.38153	37.0
654.38831	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	655.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	21.8
60.04765	0.5
61.98820	0.6
70.91854	0.7
70.92182	0.7
71.01385	1.1
79.95713	0.6
85.02925	0.9
87.00861	0.7
89.02460	0.8
92.57755	0.5
93.03442	0.6
96.67419	0.4
96.95982	2.0
101.02447	0.9
109.02979	0.6
113.02355	0.5
116.92839	0.7
120.99687	1.0
125.02379	0.6
134.03757	1.0
135.04469	0.7
149.02493	1.1
150.03212	0.6
151.00365	0.5
154.13187	0.6
161.02457	0.8
161.04500	0.5
165.05585	0.6
178.02756	0.5
180.67342	0.5
193.05032	0.7
208.01851	0.5
221.06120	0.5
239.07120	3.2
239.09319	0.8
249.05530	1.5
250.06383	0.7
251.07121	0.9
252.04240	0.6
266.05896	1.2
267.06607	9.9
268.06906	0.7
277.04965	1.3
278.05634	0.5
279.06598	2.2
280.07333	1.6
281.08145	0.8
282.08835	0.6
285.49103	0.5
292.07321	0.5
293.08179	1.8
294.08969	1.5
295.06094	37.5
295.09351	1.7
296.06470	3.0
297.07681	0.5
309.07709	3.3
310.08444	37.5
311.08853	3.6
325.07355	1.5
325.10764	36.0
326.11057	2.6
340.09381	1.2
373.12878	100.0
374.13248	10.0
493.10962	0.5
571.48926	0.5
655.14655	1.2
655.23547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2497
Annotation	PdOEPK
Peak:m/z	Relative Intensity
55.30193	0.4
59.01377	2.1
59.95126	0.4
61.98816	0.7
69.24432	4.7
71.01381	1.1
72.99286	0.8
75.00858	1.3
79.75908	0.5
82.55531	0.4
85.02926	0.6
96.96009	3.1
97.83209	0.4
101.02380	0.7
119.05027	0.6
121.02943	5.4
123.70094	0.4
129.01891	0.9
133.02992	1.0
134.03731	41.8
135.00336	0.4
135.04544	13.0
135.69289	0.4
147.04465	1.9
148.05382	0.9
149.06071	19.0
150.06419	0.6
160.01659	0.7
175.03990	1.0
176.03490	1.6
177.04257	1.2
178.05106	1.3
190.05051	1.5
191.03476	3.6
192.06668	0.6
204.06577	0.7
227.07129	1.1
241.08559	1.4
243.06509	0.5
251.07010	1.2
252.71609	0.5
254.05792	1.0
255.06534	4.2
256.07312	1.3
263.07068	0.6
265.08792	0.4
266.05695	0.6
267.06589	1.0
268.07309	1.3
269.08151	5.8
270.08987	4.1
271.09668	0.8
280.07211	0.7
280.10034	0.6
281.08060	2.7
282.08969	3.8
283.09775	2.8
284.10544	8.4
295.09598	1.0
296.10580	6.8
297.11108	2.5
298.07135	1.0
298.11163	1.3
299.07971	0.9
302.07907	3.4
308.09454	0.7
310.07166	1.0
310.10916	0.6
311.07813	1.2
312.08829	0.9
312.12430	0.5
313.13031	0.7
314.10373	0.7
314.13940	0.6
316.09485	1.7
323.07553	0.6
324.08719	1.4
325.09470	1.3
326.10284	3.6
338.10349	2.6
339.10904	1.3
340.11923	2.2
359.10147	0.6
428.15051	0.7
430.13028	0.7
431.13815	0.6
432.14346	1.2
433.15372	0.8
434.60257	0.4
444.13971	1.1
445.15274	3.9
446.15948	6.3
447.16388	0.9
458.15933	0.4
460.17978	2.5
461.16907	0.5
474.15530	0.7
477.20221	1.4
488.39066	0.5
490.18713	15.4
491.19183	2.2
503.18234	2.6
510.27124	0.4
517.19006	0.7
535.13263	0.5
653.24969	100.0
654.25305	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	653.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98818	1.2
62.96407	0.7
78.95901	100.0
110.91452	0.4
149.00090	4.8
152.99583	1.4
205.15941	2.5
255.23286	1.8
256.02676	0.5
279.23340	0.8
285.12601	4.0
305.85699	0.5
333.64407	0.5
346.49789	0.5
355.16815	1.6
385.17831	1.1
447.13458	6.1
448.13773	0.9
555.43933	0.7
600.10382	0.5
653.30066	54.3
654.30377	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	653.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10060	0.8
59.01363	1.8
71.01357	1.0
72.99295	1.5
75.00858	3.5
96.96006	3.8
100.69072	0.9
107.05013	1.1
109.02943	1.2
121.02915	4.2
133.02916	1.7
134.03731	82.1
135.04535	32.4
136.04900	1.4
137.02380	2.0
147.04518	6.1
148.04097	2.1
148.05270	15.0
149.06067	53.1
150.06352	2.1
160.03978	1.2
161.02435	1.4
162.06790	2.4
164.03479	1.0
175.03963	2.7
176.03502	5.7
177.04250	5.6
178.05075	13.6
190.05075	8.5
192.06586	1.4
199.07584	1.2
204.06615	1.9
237.05585	1.4
238.06403	1.3
239.07124	1.8
240.04237	1.8
254.05682	2.2
255.06589	7.5
256.07269	3.2
266.05722	1.7
267.06583	10.1
268.07242	2.8
269.08197	2.0
270.08865	2.7
270.11392	1.9
281.08130	3.9
282.09018	10.5
283.09488	2.2
296.10309	2.0
297.11346	7.4
310.07083	2.7
324.08548	1.6
325.09418	8.2
326.10046	1.5
340.11859	26.2
341.12164	1.9
382.12851	2.9
414.16702	1.3
460.13507	3.4
475.16519	5.9
476.16553	1.1
490.18677	100.0
491.19083	13.1
503.18167	23.5
504.18231	3.3
516.09546	1.9
516.16583	22.0
517.17474	4.1
653.24939	44.7
654.25226	9.9
667.12762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
70.94054	0.6
70.94358	0.7
72.99290	0.7
78.95897	1.0
92.75892	0.5
93.03459	1.4
96.96016	4.7
106.04250	0.7
108.02169	29.5
109.02990	4.5
119.05030	1.2
121.02942	8.1
122.03722	1.9
123.04531	7.6
133.02982	1.2
133.05328	1.5
134.03732	100.0
135.04550	20.9
135.08110	0.7
136.05014	0.7
137.02376	0.7
139.04007	0.7
146.06090	0.8
147.04413	0.7
148.01651	2.4
148.04117	0.8
148.05284	1.6
149.02434	1.8
149.06073	50.0
150.03264	1.0
150.06401	2.3
151.03949	0.7
153.05557	1.8
158.03754	0.8
159.04568	0.7
160.01697	0.6
160.04036	1.3
162.05540	1.4
163.03957	2.7
165.05602	0.8
174.05597	2.7
176.03497	1.8
176.07205	0.5
177.04321	1.9
177.06627	0.9
178.05115	2.8
181.03798	0.5
189.04230	0.7
190.05118	1.4
192.06639	6.6
208.06149	0.6
221.06059	1.0
222.06729	0.6
223.07683	1.0
226.74095	0.6
227.03603	0.6
237.05415	1.3
238.06306	1.0
239.07118	6.9
248.04724	0.6
249.05515	1.9
250.06329	2.0
251.03528	1.3
251.07158	2.0
252.07779	1.5
253.05037	0.9
253.08556	1.6
254.09512	2.9
263.07028	4.4
264.07925	6.3
265.05035	2.1
265.08014	1.0
266.05765	1.3
267.06616	13.6
267.09503	0.7
268.07162	3.4
268.10513	0.5
269.11810	0.9
270.11383	0.8
275.06250	0.7
278.08356	1.5
279.06580	1.8
280.07303	2.5
281.08118	3.0
282.05341	0.8
282.09024	14.5
283.09695	4.6
293.07059	1.3
294.07855	1.4
295.09195	0.6
296.10339	4.0
296.13116	1.4
297.11301	21.9
298.07346	1.1
298.10760	6.0
306.07520	1.2
308.09628	3.3
309.13525	0.7
310.07153	1.5
310.11017	1.7
311.07962	0.8
311.14142	1.2
312.08792	1.1
312.12256	1.7
322.07086	1.3
323.08484	0.7
324.08810	0.6
325.09570	0.8
326.10275	0.9
327.10944	1.8
338.10403	0.6
340.11716	2.8
341.12387	0.7
351.10281	0.8
402.13361	14.8
403.13763	2.3
413.12549	4.0
414.13281	1.8
416.15039	4.7
417.15698	1.9
418.16507	0.7
427.14426	1.2
428.14822	12.2
429.15063	1.8
431.17392	0.8
432.18411	26.0
433.18619	3.4
442.16440	2.3
444.14575	0.6
456.13068	1.3
458.16064	1.9
460.17868	56.7
461.18076	5.4
462.19467	1.8
471.15628	8.7
472.16043	0.6
474.15262	0.6
475.16260	4.8
476.16830	0.9
485.17090	1.3
486.15210	0.8
490.18625	21.7
491.19150	3.1
503.18216	2.8
516.16443	1.2
545.22113	0.7
581.26379	2.1
621.22345	21.8
621.32257	1.2
622.22693	3.9
653.24963	72.4
654.25311	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	653.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38985	0.7
59.01392	1.7
62.16784	0.6
71.00599	1.9
72.99285	3.0
75.00869	6.7
77.52145	0.9
78.95889	1.7
85.02919	1.1
88.22768	0.7
93.03458	1.3
96.95998	2.1
99.21565	0.7
107.17140	0.7
108.02159	1.7
109.02939	1.7
113.02419	0.9
121.02940	9.9
123.04504	0.8
134.03716	2.0
135.04515	1.9
147.04559	1.0
148.04024	3.0
149.04845	1.9
149.06056	1.9
159.04468	3.1
174.03233	0.8
176.03487	1.4
181.03857	0.8
185.00128	0.7
185.06032	1.5
192.06631	0.8
193.06577	1.3
196.05222	1.8
197.06024	2.1
202.25793	0.7
209.64964	0.8
210.92152	0.7
211.07648	4.1
212.08090	0.9
216.82661	0.7
221.05989	2.4
223.07590	2.7
224.04918	0.9
237.05510	3.0
239.07138	10.6
240.04420	1.0
240.07373	1.0
248.04674	1.5
249.05620	3.7
250.06297	1.5
251.03479	3.5
251.07242	0.9
253.08482	1.7
263.07086	1.7
265.05096	4.4
265.07626	0.8
265.08478	0.6
266.05792	2.5
266.09296	0.7
267.06595	37.9
268.07257	8.4
274.85141	0.7
279.06503	3.5
280.07385	2.4
281.08212	11.2
282.08951	36.2
283.09674	15.5
290.98126	1.7
292.06644	0.7
293.04544	4.6
294.05197	1.2
294.08115	1.0
295.02893	0.8
295.06091	1.6
295.09637	3.1
296.10516	20.3
297.11282	58.4
298.11642	4.6
300.12323	2.5
301.13248	0.8
308.06705	1.9
309.07761	0.9
310.07135	3.2
311.08041	1.3
323.08148	1.8
324.08731	2.2
325.09634	0.9
326.10184	3.4
338.10260	5.3
339.11020	1.5
352.08353	1.2
352.11905	5.1
402.13443	2.2
405.91507	0.8
412.12109	1.0
419.26932	0.8
428.14713	1.0
430.12915	45.7
431.13358	5.8
444.14252	1.7
445.09207	1.6
445.15274	25.3
446.15668	3.9
460.17624	81.8
461.17975	10.3
486.15781	7.8
487.15939	1.3
490.18686	40.3
491.18927	5.1
503.18378	1.1
621.22400	1.4
653.24963	100.0
654.25250	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	653.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21706	1.2
58.43874	1.2
59.01374	15.5
61.98838	1.4
67.61588	1.3
70.34468	1.7
71.01363	4.9
72.99309	1.7
73.49211	1.1
74.02479	1.0
74.41479	1.0
75.00879	1.5
79.95712	1.5
85.02942	5.4
87.00856	1.9
89.02448	6.4
93.03465	3.9
95.01369	1.1
96.96024	10.0
101.02409	2.6
105.03453	1.0
109.02940	3.0
113.02424	2.9
113.62485	1.1
121.02980	5.4
122.03748	8.1
129.01907	1.3
133.02959	1.9
134.03737	2.4
135.04501	2.0
137.02481	1.6
145.02980	1.2
149.01239	2.2
149.02435	38.6
150.03214	80.3
151.03725	3.1
152.01105	1.2
153.01917	3.1
161.02419	11.1
164.04802	10.3
165.05557	97.5
166.05933	3.6
175.07605	2.0
176.04752	4.8
179.03484	15.0
180.04256	7.3
191.07092	2.1
193.04953	2.8
194.05807	18.6
195.06602	100.0
196.06906	4.7
209.08170	38.9
233.08104	1.4
241.00136	1.4
250.70784	1.1
297.06189	1.3
312.39227	1.2
316.54803	1.0
342.10980	6.7
357.13397	41.3
358.13730	3.0
392.85352	1.4
405.15479	12.4
554.26807	1.1
579.79382	1.1
653.16278	1.9
653.27295	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	653.1712
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
54.87786	0.6
54.93942	0.5
55.63457	0.5
59.01373	4.1
69.03458	0.6
69.83689	3.4
71.01369	6.7
73.02911	1.0
77.45862	0.5
83.01401	0.9
85.02946	4.0
87.00857	0.8
89.02454	1.8
95.01405	1.3
96.96023	3.1
99.00916	0.8
101.02435	3.9
108.02171	55.9
109.02972	9.4
112.31579	0.5
113.02438	3.3
117.03473	1.3
121.02944	1.1
123.00879	0.7
125.02444	1.3
132.02136	3.6
133.02951	2.0
134.03737	13.9
135.00879	1.6
135.04482	1.8
147.04567	0.9
149.06129	0.9
151.03970	1.8
152.01143	100.0
153.01933	7.7
155.71561	0.5
160.01642	15.7
161.02435	8.9
161.04471	0.8
163.03998	6.0
166.02626	0.6
167.03488	0.6
175.03996	13.2
177.01903	2.1
179.03494	1.7
179.10838	0.6
193.05049	4.7
207.03033	1.3
220.75247	0.6
232.72154	0.6
249.06165	0.9
297.05954	0.8
315.07111	1.3
459.11411	8.9
477.12451	39.8
478.12894	3.1
567.45300	0.6
622.91724	0.7
653.16974	82.4
654.17444	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	653.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00859	0.2
51.86497	0.3
52.45884	0.3
54.82373	0.3
59.01381	2.9
64.79835	0.3
65.03956	3.5
67.01882	1.7
69.03440	0.3
71.01371	2.3
71.07766	0.5
73.02941	0.7
79.95750	1.0
83.01365	0.4
85.02955	1.3
87.00864	0.5
88.91781	0.2
89.02438	0.8
89.03986	0.3
91.01885	2.3
95.01374	0.4
96.95998	2.7
97.02937	0.4
99.00864	0.3
101.02431	1.0
108.02164	0.4
109.02943	27.6
110.03304	1.1
111.00869	0.5
113.02415	0.8
113.54154	0.3
117.03469	1.8
119.03432	0.3
121.03017	0.3
125.02432	0.5
127.94410	0.3
132.02162	4.3
133.02907	0.6
134.03729	22.7
134.33182	0.3
135.00873	10.8
135.04202	0.4
137.02492	0.5
143.03534	0.6
149.06093	2.0
153.01920	100.0
154.02254	2.9
160.01636	15.9
161.02281	1.3
161.04538	0.4
175.03979	14.8
176.04425	1.2
178.02660	1.4
193.05032	13.8
194.05353	0.5
202.40405	0.3
209.06662	0.3
217.05006	0.5
235.05998	0.6
256.99673	0.3
309.48355	0.3
337.09204	0.6
360.09839	2.0
360.60013	0.9
447.12643	0.6
477.12454	2.2
499.14462	1.0
609.18219	2.2
653.17065	24.5
654.17609	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	653.1721
Annotation	Clemochinenoside B
Peak:m/z	Relative Intensity
57.03437	0.3
59.01375	2.9
65.03956	3.4
67.01879	1.5
69.03468	0.5
69.95235	1.3
70.60246	0.2
71.01376	2.7
71.86340	0.3
72.99300	0.4
73.02941	0.4
73.07793	0.3
79.95731	0.9
83.01361	0.4
85.02933	1.9
87.00880	0.4
89.02443	1.2
89.03954	0.6
91.01878	1.9
95.95221	0.3
96.96008	2.0
97.02949	0.6
99.00874	0.5
101.02433	1.0
107.41227	0.3
109.02944	29.1
110.03262	0.8
113.02435	1.0
117.03460	2.3
119.03451	0.5
121.03031	0.3
125.02432	1.1
129.01958	0.4
132.02150	3.3
133.02928	1.2
133.49228	0.3
134.03732	26.4
135.00865	10.7
135.04103	0.9
137.02403	0.5
141.01891	0.3
143.03432	0.3
145.02968	0.3
149.06041	2.3
150.06480	0.3
153.01921	100.0
154.02261	3.0
160.01637	16.2
161.02315	1.0
161.04451	0.4
175.03984	17.0
176.04515	1.0
178.02690	1.6
191.07126	0.4
193.05034	15.8
194.05368	0.7
201.75847	0.3
209.06567	0.5
235.06102	0.8
250.94785	0.3
256.99869	0.4
305.08759	0.3
337.09180	0.7
360.09891	2.1
360.60043	0.7
367.10406	0.4
385.11639	1.5
477.12524	2.0
499.14487	1.3
564.10095	0.3
607.20996	0.3
609.18164	2.4
653.17114	33.7
654.17407	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	653.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01376	11.9
63.17699	0.7
67.16134	0.7
69.43619	6.7
71.01373	7.4
73.02927	1.3
76.24111	0.9
78.75376	0.7
81.03438	1.3
83.01399	1.5
85.02946	3.8
87.00867	1.6
88.98794	0.7
89.02432	3.5
89.03947	0.9
93.03455	1.9
95.01368	1.5
96.95989	3.0
97.02921	1.1
98.72883	0.8
98.73574	0.8
99.00880	1.4
100.81030	1.0
101.02446	4.7
108.02168	54.0
109.02984	12.8
113.02457	3.8
117.03436	1.7
119.03487	2.3
120.14795	0.9
121.02933	2.2
122.03703	3.6
123.00832	1.2
123.04507	1.6
132.02133	4.9
133.02954	6.8
133.05016	1.1
134.03729	22.9
135.04538	4.1
137.02417	2.8
149.02411	3.5
149.06026	2.1
150.03223	24.1
151.03929	2.3
152.01143	73.7
153.01949	13.7
160.01649	18.1
161.02435	25.5
161.04494	1.6
165.01912	1.2
165.05554	30.8
165.99030	1.1
166.02702	1.2
166.05804	1.1
175.03976	15.3
176.04594	1.9
177.01860	2.1
178.02437	0.8
179.03491	7.8
179.05421	1.2
180.04218	1.7
181.05031	2.0
191.07129	1.5
192.63466	0.8
193.05058	12.1
194.05801	4.8
195.06607	36.0
196.06929	1.5
203.03381	0.8
203.88147	0.8
209.06375	1.4
209.08163	13.9
217.05009	0.9
227.03259	0.9
229.01245	0.9
261.04034	0.8
283.07010	0.9
285.04181	1.1
314.04312	18.7
315.04611	2.0
323.07858	1.1
329.06497	10.1
338.74051	0.8
371.11472	1.4
405.15381	1.6
419.16553	2.0
449.18387	1.3
459.11478	1.6
472.14893	0.9
477.12680	6.4
491.11948	12.4
492.12012	1.3
653.17157	100.0
654.17493	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	653.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01382	5.6
67.01881	0.8
67.03357	0.4
68.99817	1.7
69.03456	2.7
69.57076	3.5
71.01373	6.1
72.99300	3.1
73.02934	0.6
79.01845	0.7
79.95750	2.5
80.96456	0.6
81.65717	0.5
83.01369	2.3
85.02942	14.2
87.00865	5.4
87.04520	1.3
89.02431	1.2
95.95237	0.7
96.96011	7.8
97.02934	4.9
99.00864	3.9
101.02441	1.5
102.72745	0.5
109.02934	4.7
111.00904	2.6
113.02434	1.8
115.04002	2.7
117.03436	3.9
119.05016	11.8
120.99644	17.1
123.04482	0.5
123.08224	0.5
129.01936	12.6
132.02129	0.8
133.02937	0.7
134.03728	40.3
135.00861	1.1
135.04143	0.8
137.02400	0.9
141.01923	2.0
141.09193	0.5
145.02948	4.0
149.06064	6.0
153.01932	10.9
155.03500	0.7
156.58560	0.6
159.02942	2.3
160.01636	7.7
161.02420	1.4
163.04007	12.7
164.04530	0.5
173.04535	2.0
175.03973	10.6
176.04497	0.9
178.02692	1.5
179.03413	0.7
185.06149	0.5
191.05647	6.0
191.07175	1.0
192.63885	0.5
193.05040	41.4
194.05429	1.7
209.06638	36.1
210.06995	1.6
235.06184	0.6
238.98448	0.9
241.00203	1.4
256.99728	1.5
261.07751	0.7
275.05331	0.5
299.18649	0.6
335.07526	0.7
337.09299	1.7
355.10458	3.7
360.09872	4.5
360.60077	1.3
367.10287	27.7
368.10733	2.0
385.11356	100.0
386.11707	7.5
461.17963	1.1
461.23550	1.0
491.15787	1.2
531.15027	24.7
532.15186	3.9
653.18732	3.8
653.30615	5.3
654.17316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50483	0.6
57.03431	1.8
58.00590	4.4
59.01376	76.4
60.01718	0.8
69.33977	5.6
69.34399	1.6
71.01377	39.8
72.99309	3.2
73.02939	2.6
81.46320	0.8
83.01378	2.3
84.29873	0.6
85.02941	10.5
87.00860	2.3
89.02439	33.9
95.01392	3.0
96.96008	12.0
99.04507	15.7
101.02432	22.4
108.02180	0.9
113.02432	13.1
116.62734	0.7
119.03486	10.6
129.01913	1.0
131.03397	1.0
131.05713	0.7
135.04500	1.9
143.03453	1.2
147.04510	1.1
149.04492	0.9
149.06094	0.9
150.03273	0.9
161.02386	0.9
161.04648	1.2
175.02473	0.8
177.01920	1.1
177.05490	1.1
178.02722	1.1
179.05557	2.3
191.05679	0.8
193.04965	3.1
194.05620	0.7
195.06799	0.7
207.06548	2.1
209.06586	1.3
247.17000	19.6
248.17271	0.9
291.15967	24.4
291.19199	1.5
292.16412	1.1
309.16971	2.3
403.13882	3.1
427.23349	2.5
471.22318	58.3
472.22546	6.9
489.23346	2.6
490.18915	1.5
651.28668	100.0
652.29047	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	653.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01382	5.6
67.01881	0.8
67.03357	0.4
68.99817	1.7
69.03456	2.7
69.57076	3.5
71.01373	6.1
72.99300	3.1
73.02934	0.6
79.01845	0.7
79.95750	2.5
80.96456	0.6
81.65717	0.5
83.01369	2.3
85.02942	14.2
87.00865	5.4
87.04520	1.3
89.02431	1.2
95.95237	0.7
96.96011	7.8
97.02934	4.9
99.00864	3.9
101.02441	1.5
102.72745	0.5
109.02934	4.7
111.00904	2.6
113.02434	1.8
115.04002	2.7
117.03436	3.9
119.05016	11.8
120.99644	17.1
123.04482	0.5
123.08224	0.5
129.01936	12.6
132.02129	0.8
133.02937	0.7
134.03728	40.3
135.00861	1.1
135.04143	0.8
137.02400	0.9
141.01923	2.0
141.09193	0.5
145.02948	4.0
149.06064	6.0
153.01932	10.9
155.03500	0.7
156.58560	0.6
159.02942	2.3
160.01636	7.7
161.02420	1.4
163.04007	12.7
164.04530	0.5
173.04535	2.0
175.03973	10.6
176.04497	0.9
178.02692	1.5
179.03413	0.7
185.06149	0.5
191.05647	6.0
191.07175	1.0
192.63885	0.5
193.05040	41.4
194.05429	1.7
209.06638	36.1
210.06995	1.6
235.06184	0.6
238.98448	0.9
241.00203	1.4
256.99728	1.5
261.07751	0.7
275.05331	0.5
299.18649	0.6
335.07526	0.7
337.09299	1.7
355.10458	3.7
360.09872	4.5
360.60077	1.3
367.10287	27.7
368.10733	2.0
385.11356	100.0
386.11707	7.5
461.17963	1.1
461.23550	1.0
491.15787	1.2
531.15027	24.7
532.15186	3.9
653.18732	3.8
653.30615	5.3
654.17316	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07959	0.4
55.01885	0.6
57.03445	1.1
58.00608	0.4
59.01374	17.9
60.01724	0.6
61.98842	0.5
69.03422	0.4
69.32237	1.2
69.32655	2.4
71.01378	15.0
72.99305	1.7
73.02935	2.5
75.00890	0.8
83.01396	2.2
85.02942	8.9
87.00866	1.0
89.02438	6.4
93.03437	0.5
95.01384	2.7
96.96004	3.3
97.02959	0.6
99.00871	1.2
101.02431	8.1
105.40923	0.3
111.00907	0.4
113.02435	11.2
114.02808	0.5
119.03489	1.9
130.08731	69.1
131.09084	2.0
161.04588	1.1
176.51366	0.3
193.30234	0.4
209.06657	1.1
211.13316	0.8
306.20724	1.5
324.21677	0.9
468.25879	0.8
486.27176	1.7
544.28271	3.6
545.28766	0.6
561.29211	0.5
562.29425	2.8
563.30182	0.6
604.29315	0.9
648.32251	100.0
649.32690	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	649.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61707	1.0
54.65177	0.9
59.01377	49.0
61.98815	4.5
71.01374	7.5
71.62823	1.4
73.02939	1.6
78.71624	1.1
85.02949	1.3
87.00858	1.7
88.94404	1.0
89.02422	4.1
99.19877	1.1
101.02433	3.8
113.02424	2.3
119.03440	1.1
133.07655	1.1
163.11295	7.9
207.10237	10.5
277.21820	1.1
279.23264	27.3
280.23492	2.2
293.24878	5.9
303.23126	1.3
329.41373	1.1
369.15530	3.3
387.16687	7.8
623.09515	1.2
649.39539	100.0
650.39886	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	647.379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03451	3.6
59.01364	2.5
61.14598	0.6
61.98822	1.1
68.99809	0.5
71.01382	3.9
71.62006	0.6
71.62424	0.8
72.99303	2.2
75.00865	22.9
83.01384	1.3
84.90781	0.5
85.02425	1.1
85.02944	18.5
87.00873	1.4
95.01376	3.7
96.95993	2.4
97.02957	0.8
99.00854	1.3
112.01647	1.4
113.02441	11.5
115.00367	1.0
117.01907	0.9
129.01924	1.3
155.21004	0.6
157.01508	0.8
175.02461	0.5
469.33447	1.0
471.34760	6.9
484.86533	0.6
525.35754	2.1
571.36346	3.6
647.37952	100.0
648.38251	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	648.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03445	1.3
58.00596	0.4
59.01376	16.3
60.01710	0.4
61.98815	1.5
69.48888	3.1
71.00986	0.7
71.01379	13.2
72.99302	1.2
73.02956	2.3
75.00858	0.5
79.95715	0.5
81.03440	0.4
83.01362	1.9
85.02949	10.4
87.00842	0.9
89.02441	6.9
90.26202	0.4
95.01388	2.9
96.95995	5.0
97.02951	0.8
99.00890	1.4
100.04146	0.4
101.02437	8.0
102.02756	0.5
105.15329	0.4
113.02444	10.2
114.02762	0.5
119.03501	1.5
122.67673	0.4
125.02467	0.5
130.08730	76.7
131.09087	1.8
134.03802	0.6
158.06425	0.6
161.04564	0.8
211.13319	0.7
306.20615	1.2
324.21835	0.8
329.11844	0.4
362.63297	0.4
466.64499	0.4
468.26108	0.7
486.27350	3.0
544.28333	3.0
562.29614	1.9
563.29865	0.5
648.32306	100.0
649.32623	15.4
654.04095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3796
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
53.00303	0.2
53.01884	0.1
55.01880	1.2
57.03446	3.9
59.01380	2.2
60.99295	0.5
67.01884	0.5
68.99815	0.8
69.03445	0.3
71.01376	4.9
71.62033	0.2
72.99307	2.2
73.02938	0.6
75.00869	27.8
76.01209	0.2
83.01377	1.2
84.02154	0.4
85.02946	22.2
86.00075	0.2
86.03266	0.4
87.00867	1.7
89.02453	0.3
95.01379	2.9
96.96012	0.2
97.02965	0.3
99.00877	1.7
101.02458	0.2
103.00358	0.3
111.00883	0.4
112.01649	1.0
113.02440	11.3
114.02749	0.2
115.00351	0.7
116.01163	0.8
117.01943	0.9
129.01938	0.8
130.99869	0.2
139.00403	0.2
157.01387	1.1
175.02490	0.9
192.43312	0.1
238.03935	0.2
365.74921	0.2
407.33276	1.3
419.77081	0.2
427.36041	0.3
441.34082	0.2
481.36508	0.2
492.93381	0.1
587.35956	0.2
589.90631	0.2
629.36438	0.2
647.37933	100.0
648.38275	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	647.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87106	0.4
57.03429	0.5
58.00581	0.9
59.01375	54.0
61.98833	2.2
63.12508	0.4
63.45423	0.4
70.39771	1.2
71.01378	9.0
72.99296	1.0
73.02943	1.9
75.30022	0.5
78.95898	0.9
83.01385	0.7
85.02945	1.9
87.00864	1.3
89.02435	3.7
95.01391	0.5
96.05285	0.4
101.02438	4.0
109.06590	0.8
113.02447	2.0
119.03471	1.4
120.55760	0.4
121.09456	0.4
147.08098	0.5
152.99466	0.6
163.11276	7.9
187.51094	0.5
199.47493	0.5
207.10228	10.3
208.10541	0.7
225.11061	0.5
255.23125	0.6
256.13693	0.5
273.22086	0.7
277.21692	22.8
278.21967	1.8
291.23233	3.5
319.22739	1.1
340.70758	0.4
369.15637	4.1
387.16571	9.3
388.16757	0.9
551.61285	0.5
647.37939	100.0
648.38257	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	647.3798
Annotation	Caryocaroside II-5
Peak:m/z	Relative Intensity
55.01872	1.1
57.03443	3.8
58.92281	0.2
59.01379	1.8
60.99295	0.6
67.01881	0.7
68.99814	0.8
71.01381	4.7
72.99306	2.0
73.02928	0.4
75.00869	20.3
81.45942	0.2
83.01379	1.3
85.02946	21.0
86.03278	0.5
87.00865	1.8
89.02417	0.4
95.01382	2.9
96.95988	0.8
97.02949	0.5
99.00887	1.6
101.02465	0.3
103.00338	0.3
112.01682	1.3
113.02444	9.6
115.00353	1.0
116.01194	1.4
117.01927	1.1
120.35977	0.2
129.01945	1.2
157.01427	1.2
175.02423	0.7
198.85286	0.2
338.54712	0.2
351.26968	0.3
353.28220	0.3
373.19366	0.3
395.18658	0.5
399.75198	0.3
407.33084	1.1
412.83008	0.3
414.16324	2.2
414.66400	0.5
453.33786	0.7
455.35681	0.3
469.33328	0.6
471.34732	7.7
472.35083	1.0
525.35925	1.1
526.36328	0.3
527.34204	0.3
543.36969	0.3
571.36407	4.4
572.36780	0.7
629.36279	0.4
647.37958	100.0
648.38275	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	647.3798
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
57.03435	0.7
58.00577	0.9
59.01373	24.7
60.01728	0.4
61.98830	0.5
69.96162	2.0
71.01378	15.3
72.99307	1.9
73.02959	0.5
75.00864	1.0
78.61616	0.3
79.24264	0.4
83.01373	0.9
85.02934	3.7
87.00891	0.8
89.02440	15.2
95.01401	0.9
96.95989	1.0
97.98777	0.4
98.20569	0.5
101.02435	7.9
113.02454	4.9
119.03498	5.8
139.41040	0.4
139.77356	0.4
143.03511	0.8
149.04550	0.6
150.69788	0.4
161.04514	1.3
162.63087	0.3
169.67361	0.4
172.15947	0.4
179.05608	3.9
186.71248	0.4
215.61119	0.5
220.79144	0.4
305.77625	0.4
311.86227	0.4
322.82486	0.4
439.32214	0.8
441.33710	6.3
442.33951	0.5
485.32672	100.0
486.33002	14.5
499.34070	1.6
527.33685	4.2
528.34167	0.6
647.37939	94.9
648.38245	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	647.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03186	0.3
57.03447	5.2
58.00578	0.4
58.65264	0.3
58.67829	0.3
59.01375	21.8
67.01871	1.2
68.76740	0.2
68.99809	2.5
69.03452	4.7
69.28114	1.7
69.28539	0.9
71.01376	18.9
72.99297	5.5
73.02943	3.9
75.00864	1.3
79.95717	0.9
82.63342	0.3
83.01385	4.5
84.95115	0.8
85.02943	22.8
86.00069	0.5
87.00378	0.5
87.00867	5.2
87.04508	2.0
89.02428	2.7
94.50996	0.3
95.01379	1.5
96.96005	5.2
97.02940	7.7
99.00883	5.5
99.04510	1.0
101.02436	6.6
111.00871	3.1
113.02438	6.4
115.03990	3.2
119.03471	0.9
125.02406	0.4
129.01933	9.0
130.08698	1.4
135.04573	0.4
137.02484	0.4
137.98161	0.3
141.01952	3.2
143.03508	0.4
148.05217	0.3
159.02979	1.3
161.02226	0.2
161.04517	1.1
173.04543	0.3
191.05598	7.0
191.07307	0.5
209.06662	1.1
233.15430	0.3
235.17006	9.3
236.17296	0.5
241.00069	0.4
251.16470	2.1
273.64648	0.3
395.20526	1.4
413.21771	5.0
427.23328	4.4
437.21848	0.5
455.22849	12.2
456.23209	1.0
461.73541	0.4
470.32574	0.3
543.27698	0.3
545.28296	0.5
597.25494	3.8
598.26068	0.6
647.29120	100.0
648.29468	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	647.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21623	0.5
57.03530	3.3
58.00642	0.8
59.01131	2.9
59.01463	18.5
61.98908	1.0
65.07435	0.6
65.78500	0.6
67.01999	1.0
68.42924	0.6
68.99907	1.8
69.03560	3.7
69.78186	3.7
71.01052	2.4
71.01483	17.1
72.99412	4.3
73.03023	1.4
76.34077	0.6
77.30895	0.6
79.95844	5.6
80.96575	0.9
83.01500	3.1
84.84003	0.7
85.02508	1.7
85.03066	16.5
87.00991	7.8
87.04580	1.1
89.01980	0.9
89.02563	10.3
93.03512	0.6
95.01482	1.5
95.95300	1.1
96.95447	3.3
96.96137	34.0
97.03065	5.6
99.00326	1.2
99.01005	5.6
101.02573	8.1
111.01012	2.6
113.02583	7.6
115.04153	3.1
119.03647	4.0
125.02650	0.5
129.01924	9.5
137.02588	2.0
138.97174	1.6
141.02072	2.3
143.03558	0.8
159.03116	1.0
163.25021	0.6
164.07417	0.7
183.14012	0.9
191.05595	6.8
195.13878	8.3
209.06813	2.5
213.14894	4.3
218.74609	0.6
241.00191	4.7
256.99905	1.7
357.19278	1.5
360.09952	6.5
360.60190	2.4
361.10034	1.4
375.20187	22.6
376.20557	2.1
517.23004	1.4
567.26520	100.0
568.26862	10.8
647.22113	57.5
648.22491	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	647.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.1
55.80298	0.6
57.03437	3.1
58.00573	1.9
58.01839	0.6
59.01375	85.4
60.01701	0.7
69.03438	1.7
69.29900	6.0
71.01378	47.1
72.01718	1.2
72.99323	1.6
73.02944	11.0
75.00854	1.2
83.01394	7.6
85.02943	24.5
87.00859	3.0
89.02445	16.0
95.01380	5.1
96.95996	2.1
97.02940	2.2
99.00861	5.5
101.01766	1.2
101.02435	27.0
111.00881	2.6
113.02446	27.2
119.03512	5.6
124.01645	2.2
125.02458	3.7
129.01913	1.5
130.08728	2.7
134.03763	1.2
142.02689	0.8
142.58438	0.7
143.03513	3.2
159.02962	2.4
161.04532	8.8
162.25668	0.8
174.16945	0.6
176.34329	0.6
179.05563	2.6
189.74889	0.7
193.05052	0.7
200.08105	0.8
204.45949	0.7
234.05450	0.6
303.53577	0.8
381.22696	2.4
390.93173	0.7
399.23798	6.6
400.24136	1.2
441.25153	0.8
455.22955	1.3
455.74048	0.8
496.01074	0.8
507.26279	1.1
543.28046	100.0
544.28357	14.8
561.29095	68.7
562.29407	10.2
603.30182	13.6
604.30780	2.0
648.31940	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20715	0.6
55.01917	1.4
57.03440	4.6
58.00636	1.0
59.01374	21.5
59.49054	0.7
61.55200	0.6
67.01938	0.6
68.99854	1.3
69.03451	3.2
69.58121	3.4
69.63545	0.6
70.48981	0.6
71.01004	1.8
71.01375	20.3
72.99300	4.7
73.02992	1.3
75.00888	0.6
79.95310	0.5
79.95734	10.6
80.96516	3.6
82.79962	0.6
83.01462	2.6
84.34386	0.7
85.02943	18.1
87.00869	7.3
87.04574	1.4
89.02441	12.6
93.03524	0.7
95.01455	1.0
96.96004	48.2
97.02940	7.0
99.00882	5.1
101.02429	12.4
111.00860	3.1
113.02451	8.2
115.03976	3.8
119.03481	5.7
129.01929	10.4
131.03584	0.7
137.02519	1.0
138.97072	1.6
141.02005	2.9
141.46992	0.7
159.03075	1.4
183.13860	1.0
191.05603	8.0
191.07086	0.6
195.13889	9.8
195.15440	0.6
209.06731	1.7
213.14922	6.6
238.98720	0.8
241.00157	4.0
285.86703	0.7
357.19211	2.0
360.09970	8.8
360.60214	2.4
375.20203	25.5
376.20547	2.0
405.21185	1.1
517.22968	0.8
567.26532	100.0
568.18982	1.0
568.27057	11.5
647.22180	72.4
647.39099	2.2
648.22589	9.7
651.64398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
60.88313	0.8
69.65193	1.7
69.65616	3.2
71.01369	4.4
74.02467	2.1
79.95731	42.5
80.96509	1.8
85.02946	1.1
95.95225	53.6
96.96004	88.1
97.38683	0.8
110.97571	3.6
138.97078	8.1
149.02475	1.1
150.03235	1.0
150.97038	10.9
151.97862	6.6
152.98714	0.9
165.05565	2.0
176.98604	0.7
177.04012	2.9
178.02664	3.8
193.05031	5.1
194.99663	1.2
198.99229	2.2
203.08237	2.3
213.00702	2.3
222.99117	3.6
225.00691	3.1
241.00211	24.6
245.09326	4.2
246.09729	1.4
256.99692	5.3
259.01288	2.3
404.56647	0.8
407.06287	1.4
419.19760	0.8
435.05969	9.4
449.07330	1.5
450.08469	5.3
463.08887	0.9
502.53665	0.9
538.68951	0.8
619.18396	0.8
647.16431	100.0
648.16675	13.8
662.33221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
59.01382	2.0
61.98818	0.6
71.01372	3.2
71.57996	0.3
71.58331	0.3
72.99300	0.4
73.02947	0.5
78.95896	0.4
79.95733	11.5
80.96507	5.2
83.01383	0.8
85.02941	1.8
87.00877	1.4
95.01348	0.6
95.95222	5.2
96.96004	72.7
99.00878	0.7
101.02435	4.6
113.02441	2.4
115.69264	0.3
117.05574	1.1
119.03525	0.4
121.02967	0.8
122.03728	0.9
122.97545	0.5
134.03706	0.5
137.96306	0.7
138.97047	4.8
149.02426	3.6
150.03227	8.1
150.97040	2.4
151.97911	0.8
161.02402	0.8
164.04796	1.0
165.05545	6.6
166.96526	1.1
179.03519	1.5
180.04306	0.6
180.98111	0.8
181.51997	0.3
193.05084	0.6
194.05791	1.2
195.06654	2.6
209.08194	1.0
222.99092	0.6
241.00218	100.0
242.00531	2.8
256.99625	0.7
332.48227	0.4
342.11002	0.4
357.13324	1.3
435.05908	1.0
647.16400	26.2
648.16650	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
65.00307	0.6
65.03941	2.2
65.47643	0.5
67.01883	1.6
71.01377	2.5
72.99293	0.6
75.46291	0.4
79.95708	3.9
80.96513	1.9
83.01362	1.1
85.02944	1.5
85.27665	0.5
87.00874	1.6
89.02413	0.7
91.01885	27.1
92.02217	1.0
95.01383	0.4
96.96001	28.9
99.00903	0.8
101.02432	2.4
107.05017	1.5
108.02149	2.4
109.02942	27.2
110.03288	0.9
113.02426	1.3
119.03529	0.5
121.02944	0.9
122.97556	0.5
123.04502	0.5
133.02936	2.2
134.03714	0.6
135.00871	84.7
136.01097	2.6
137.02417	4.2
138.97055	1.9
140.16653	0.4
149.02466	0.9
150.03151	0.4
150.97101	0.7
151.03989	0.6
153.01923	65.0
154.02232	2.1
161.02431	3.6
162.02963	0.5
163.03925	0.5
166.96562	0.8
168.61438	0.4
175.03995	2.9
177.01918	2.5
189.01891	0.5
189.05550	0.7
197.05954	1.1
225.05484	1.2
229.12639	0.5
241.00203	100.0
242.00529	3.2
243.02885	0.7
243.06628	9.1
244.06871	0.8
255.03151	0.7
263.05597	0.4
271.02481	3.3
272.02805	1.1
297.06122	12.2
298.06506	0.8
299.01999	3.7
300.02536	3.6
301.03455	0.9
323.13367	1.3
405.11850	50.0
406.12125	5.3
466.10867	1.2
466.61343	1.2
467.11612	0.5
628.16638	2.6
628.66425	4.1
629.16388	2.4
647.12634	6.2
648.13513	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	647.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
69.44706	3.5
69.45118	0.7
69.45995	0.5
71.01375	6.6
72.99278	0.5
73.02923	0.7
79.95731	39.8
80.96505	2.7
83.01384	0.7
85.02949	1.1
87.00866	1.5
89.02446	0.9
91.01890	9.7
92.02219	0.5
95.95224	49.5
96.96001	89.5
97.02953	0.8
98.19889	1.2
101.02428	1.8
109.02952	0.6
110.97574	3.2
113.02449	0.9
117.03431	1.7
118.03712	0.6
119.03493	0.5
121.44749	0.5
122.97559	1.2
125.02460	0.6
129.01985	0.6
133.02904	0.7
134.03729	19.1
135.00877	18.5
135.04063	6.0
135.35078	0.6
136.01222	0.7
138.97052	7.1
141.95789	1.2
147.04422	0.5
149.06075	1.2
150.03236	1.0
150.97050	9.3
151.97839	7.7
153.01941	1.3
164.98645	1.0
165.01877	1.6
165.05588	0.8
167.38129	0.6
168.98055	0.6
175.03966	0.5
176.98582	0.7
177.04008	2.9
177.05353	0.6
178.02708	3.6
179.03233	0.6
180.04347	0.8
180.98047	0.5
182.99789	0.6
192.04338	0.7
193.05038	23.1
194.05365	8.3
194.99583	1.2
195.02972	0.7
195.05353	0.7
198.99222	2.8
213.00647	1.7
222.99129	4.2
225.00688	2.9
241.00201	15.0
243.06548	0.7
256.99670	4.6
259.01306	3.3
268.07401	0.9
283.09778	1.8
324.84085	0.5
355.79602	0.5
363.06622	0.6
403.05457	33.3
404.05756	2.4
407.06479	0.8
412.14127	0.7
435.05917	9.4
449.07736	1.2
450.08368	9.0
451.08978	1.0
451.33072	1.1
452.33047	2.2
453.33463	1.1
463.09106	0.9
527.38379	0.6
539.07275	0.9
647.16400	100.0
648.16718	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	646.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21342	0.5
52.70140	0.6
57.03442	1.9
57.15812	0.5
59.01369	2.8
65.42721	0.5
68.99795	0.7
69.03445	3.8
69.41762	1.0
69.42178	3.2
71.01376	5.0
72.99310	4.1
75.00866	1.0
79.01899	1.7
79.95731	1.2
81.95300	2.7
83.01382	1.0
84.02170	0.7
84.46771	0.5
85.02939	7.1
87.00871	4.2
89.02423	0.6
89.03959	0.5
89.62497	0.5
95.01344	0.7
96.96001	6.7
97.02927	3.6
98.20721	0.9
98.95588	4.0
98.96447	0.7
99.00880	1.7
100.96043	0.7
101.02454	0.8
102.05582	2.5
105.46885	0.4
111.00855	2.8
113.02444	1.5
115.04012	0.8
117.03419	2.9
119.12050	0.5
121.02950	0.7
123.04513	0.6
126.54886	0.5
128.03534	4.4
129.01918	4.7
132.02141	4.1
133.02943	1.9
134.03731	100.0
135.04201	2.9
137.02431	1.8
141.01938	3.3
148.05305	1.2
149.06071	49.9
150.06415	1.7
155.03482	2.8
159.03000	1.8
160.01643	18.0
161.02434	2.9
173.04616	3.1
175.03989	24.5
176.04611	1.6
178.02737	3.0
185.06032	0.6
191.05612	9.6
191.07161	1.2
193.05043	47.6
194.05344	1.7
202.06334	0.6
207.06599	0.8
209.06641	7.7
217.08670	1.8
233.08167	2.9
235.06079	2.0
246.07628	1.4
247.05872	0.5
258.99585	0.6
260.09201	4.1
261.07666	2.1
275.05630	1.4
278.10300	38.8
279.10648	2.3
291.08716	1.0
335.07761	3.9
339.12234	0.7
367.10297	65.4
368.10587	4.2
385.06409	1.1
385.11346	19.3
386.11911	0.8
420.12875	0.6
466.19623	0.6
470.16513	4.5
624.19897	0.6
646.22437	14.3
646.37927	1.2
647.22491	2.2
648.82068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69614	0.3
54.11544	0.3
59.01384	5.2
61.98811	0.4
65.00319	1.2
69.03453	0.4
70.83634	0.4
71.01378	8.2
71.62239	0.5
72.99303	0.9
79.95732	7.3
80.95767	0.3
80.96521	4.9
83.01381	0.4
85.02945	1.3
87.00871	2.0
89.02448	3.9
91.01891	28.6
92.02229	1.1
94.98069	0.3
95.95222	3.9
96.96006	38.9
97.02914	0.9
101.02423	3.4
109.02935	1.1
113.02425	1.6
117.03460	0.8
119.03477	1.4
122.97588	1.3
125.02446	0.9
133.02954	0.7
134.03731	9.7
135.00879	63.2
135.04042	3.2
136.01193	2.6
137.02455	2.8
138.03117	0.3
138.97054	4.7
149.02377	0.5
149.06105	0.6
150.03185	0.8
150.97055	4.6
151.97827	0.4
153.01923	4.2
165.01920	12.5
165.05544	0.9
166.96536	1.2
177.01956	0.5
179.03435	1.9
180.04294	7.1
180.98105	0.4
181.04933	0.7
193.05054	9.0
194.05374	4.5
195.05032	0.5
195.06647	9.2
203.67679	0.4
210.05261	2.0
225.05591	0.6
225.07675	6.0
241.00276	1.1
243.06622	2.0
270.05231	0.5
271.09750	0.8
272.10101	0.5
283.09695	0.6
313.07138	1.1
325.07132	1.3
328.09686	2.1
340.09531	1.3
343.11697	1.9
355.11765	1.5
366.15524	0.3
367.10190	0.7
391.13959	3.3
403.05478	100.0
403.13998	4.4
404.05820	5.7
412.18689	0.4
435.05695	0.4
452.33255	1.8
467.14819	0.4
506.15811	1.8
513.15417	0.4
521.18146	4.3
527.23083	0.5
539.06879	1.9
557.71039	0.4
569.20233	1.0
599.21460	1.8
600.21979	0.4
647.14673	5.0
648.16632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
57.03444	3.7
58.00615	0.5
58.02804	0.5
59.01365	3.0
61.98818	0.7
67.01884	1.1
68.99806	0.7
71.01374	6.9
71.62360	0.4
72.99303	3.2
73.02950	0.6
75.00864	20.7
80.57727	0.4
83.01370	0.8
85.02941	21.0
86.00069	0.4
86.03267	0.6
87.00861	2.3
95.01380	2.7
96.95988	1.5
97.02953	0.5
99.00864	2.2
104.51482	0.5
111.00855	0.8
112.01651	1.1
113.02440	9.6
114.68909	0.4
115.00350	1.0
116.01130	1.8
117.01910	1.9
157.01465	0.8
175.02554	0.7
259.51062	0.4
299.05484	0.4
409.31064	0.5
423.32620	8.9
424.32867	1.0
451.31754	0.5
469.33273	3.1
477.33655	0.8
523.34344	2.1
524.34473	0.7
569.34607	1.6
583.44897	0.5
645.36340	100.0
646.36731	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	645.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.3
55.74709	0.3
57.03444	4.5
59.01371	2.1
59.24750	0.2
61.98830	0.4
62.54504	0.2
66.29854	0.2
67.01882	0.6
68.99812	0.4
69.03452	0.3
70.62601	0.2
70.69768	0.8
71.01375	4.1
72.99314	2.1
73.02973	0.3
75.00868	20.9
78.32104	0.2
83.01382	0.9
84.02180	0.4
85.02945	19.4
86.03280	0.4
87.00877	1.4
89.02419	0.5
89.31913	0.2
93.77641	0.2
95.01394	2.9
96.96019	0.6
97.02961	0.3
99.00876	2.0
103.00339	0.3
112.01671	1.3
113.02443	10.9
114.02792	0.3
115.00345	0.8
116.01150	0.6
117.01929	1.1
118.94481	0.2
129.01921	0.9
155.11746	0.3
157.01408	1.1
175.02492	0.9
214.67255	0.2
290.33725	0.2
388.50208	0.3
391.96786	0.2
451.32324	0.7
467.31598	0.7
469.33231	7.1
470.33530	0.8
497.32736	0.4
508.69016	0.3
523.34045	1.5
525.31885	0.4
569.34760	3.3
570.35144	0.7
627.35199	0.3
645.36359	100.0
646.36713	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	645.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67319	1.2
81.03460	0.2
83.05031	0.8
83.47475	0.2
89.03960	3.3
89.37383	0.2
96.96023	0.9
101.57712	0.2
106.04230	0.5
117.03457	9.5
118.03809	0.4
119.05106	0.2
121.02935	0.3
133.02946	0.3
134.03726	94.6
135.04062	2.9
137.02403	0.3
145.97037	0.2
149.02304	0.2
149.06061	6.5
150.06400	0.2
174.24698	0.3
177.01939	0.3
178.02711	1.2
181.99622	0.2
193.05029	100.0
194.05376	4.6
207.15045	0.2
225.16046	1.2
241.00226	0.5
262.88565	0.2
333.22800	0.3
388.32828	0.2
433.31674	0.5
451.32816	17.7
452.33249	1.8
476.75156	0.2
645.38776	0.8
646.38934	0.3
669.28680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.264
Annotation	Isoedulirin A
Peak:m/z	Relative Intensity
55.01860	0.4
57.03442	1.8
57.63538	0.3
59.01131	0.4
59.01381	2.1
66.51658	0.3
69.26364	0.7
69.26765	2.6
69.27065	0.3
71.01377	3.4
72.99294	0.8
73.02940	0.5
75.00874	1.4
79.95731	11.9
80.96510	14.7
83.01396	2.0
85.02943	2.1
87.00875	4.6
89.02432	0.4
94.98082	1.5
95.95259	0.8
96.96003	65.6
99.00879	2.4
99.33349	0.4
101.02429	1.1
103.00376	0.8
111.00873	13.7
113.02444	1.3
115.00373	0.8
120.81511	0.4
120.96016	2.4
127.00397	1.9
129.01929	6.8
136.95500	0.9
138.97058	5.3
148.88057	0.3
150.97093	0.6
154.96585	1.5
159.02982	2.1
166.96553	1.3
167.00156	0.8
176.98645	0.4
177.04050	1.0
185.32800	0.3
190.96614	0.7
192.98102	0.8
210.99156	2.4
218.29048	0.3
223.34361	0.3
238.98627	18.6
241.00203	8.0
242.00465	0.5
256.99701	52.9
258.00006	1.4
643.26318	100.0
644.26587	13.4
644.37048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79067	0.4
54.70275	0.4
58.02967	5.0
59.01374	5.5
59.60939	0.4
61.98823	0.8
70.02975	5.3
70.36797	0.5
70.37144	1.6
71.01387	0.9
72.00890	1.6
72.04562	0.9
74.02467	34.6
81.79397	0.5
89.02469	0.6
92.49132	0.5
93.03436	2.7
96.96001	6.2
96.96954	0.5
98.02472	6.7
101.02457	0.8
116.03541	9.6
116.05048	11.3
121.02882	0.5
125.02308	0.6
130.06598	1.4
137.02463	2.9
142.06590	2.5
158.37511	0.5
159.09250	2.1
160.18051	0.4
161.04713	0.5
183.09229	0.7
186.05588	0.8
201.10300	3.1
201.25035	0.5
203.08238	34.5
204.08546	1.6
241.00264	0.6
245.09280	100.0
246.09642	6.4
289.08191	0.7
392.40710	0.5
425.50378	0.5
431.59262	0.5
488.23343	0.5
540.12115	0.5
553.06927	0.5
645.24188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19249	1.1
54.30322	0.9
55.75376	1.1
59.01378	10.1
61.98827	4.0
75.00876	1.2
80.05056	8.2
94.06638	1.7
96.95968	5.7
104.05057	2.7
106.06606	3.6
107.03761	3.4
113.02446	1.6
119.82690	1.1
120.04578	2.1
120.08150	1.4
121.05384	2.2
122.06120	41.2
124.07528	1.2
132.04578	3.2
132.25888	1.4
134.06107	16.2
142.88878	1.1
148.04086	2.0
151.03932	1.6
152.07162	45.1
153.07529	1.7
160.04047	2.6
160.06401	6.2
161.04755	1.3
174.05582	4.6
190.05096	2.0
195.29044	1.1
207.41672	1.2
213.00943	1.2
213.10318	29.7
214.10632	2.6
214.12483	2.0
223.08676	1.5
225.10286	1.9
226.11061	3.9
235.08670	1.3
239.11890	16.5
240.12288	1.4
241.13470	18.6
242.13809	2.1
245.12881	8.9
249.06633	1.8
251.11969	3.2
265.09821	2.9
269.07352	1.1
277.09763	1.9
278.10519	1.2
280.08643	1.3
285.12430	67.5
286.12729	3.5
293.12878	8.4
295.10989	7.4
296.11246	1.3
313.11911	5.1
316.14523	2.2
323.10254	11.9
324.10522	1.6
325.12006	2.1
326.12592	1.5
328.10861	4.3
332.17471	1.6
339.09952	1.8
342.12463	4.0
343.13168	4.6
344.14069	3.1
355.12952	7.0
356.13797	1.9
357.14749	4.2
358.15594	21.3
359.16092	1.6
370.11615	1.9
384.13269	5.4
385.14087	2.5
397.14087	1.9
400.16595	16.2
401.17032	1.8
412.16739	5.5
497.25754	2.8
523.23328	11.7
524.23676	2.1
537.24731	2.4
547.23547	1.6
565.24500	89.3
566.24768	15.5
568.22858	2.3
569.24268	1.3
609.23474	100.0
610.23981	17.0
641.25989	28.2
642.26245	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	641.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26409	0.5
68.40690	0.5
71.62972	0.8
72.99276	0.5
79.95737	5.4
80.96514	0.7
93.03435	1.3
95.01389	0.8
95.95213	1.1
96.96011	12.8
100.01958	0.6
107.05016	1.2
108.02161	6.6
109.02929	0.7
119.05006	1.9
121.02950	2.4
122.03703	2.2
123.04533	6.7
132.02150	0.6
133.02939	1.6
133.05313	1.4
134.03754	4.0
134.06119	2.3
135.04518	4.5
136.01651	89.6
136.07661	1.3
137.02017	2.3
146.06017	0.7
147.04539	1.1
148.01651	1.8
148.05299	15.4
149.02428	7.4
149.06033	2.6
150.03214	17.4
151.03998	100.0
152.04349	3.4
153.05530	2.1
161.02463	0.9
161.80342	0.6
162.05603	2.2
163.03998	2.9
164.04764	1.6
165.05551	12.3
166.05818	0.8
174.05586	1.7
175.03946	1.4
176.03481	2.4
176.07213	0.8
177.04291	0.8
177.06676	5.7
178.05067	9.7
190.05090	4.6
191.03552	3.1
193.05014	0.6
208.06079	0.6
232.42261	0.6
241.00192	0.9
254.11900	1.3
256.99866	1.2
274.30896	0.8
283.26425	1.3
284.26868	0.6
296.12955	1.2
297.10086	3.1
298.10715	1.3
310.10788	1.9
311.10934	1.0
311.14261	7.0
312.12350	33.6
313.09546	1.0
313.12787	2.8
324.12378	1.4
326.13992	0.9
328.11868	25.5
329.12323	1.8
337.11932	3.4
369.14505	0.9
402.13632	1.3
428.14847	1.0
430.66501	0.7
431.19693	11.8
431.25250	1.0
432.18362	3.0
457.17798	1.4
460.17621	9.3
461.18170	1.3
471.15784	0.7
489.20264	31.9
490.20593	4.7
515.40948	0.7
591.21533	1.4
623.23853	11.6
624.24219	1.6
641.26190	12.2
641.36322	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72946	0.8
57.04643	0.7
59.01367	1.0
62.70786	0.8
64.04284	0.8
71.01375	1.3
71.62916	1.1
72.99303	1.5
75.00845	1.0
75.09170	0.8
79.95744	7.5
80.96522	1.1
93.03431	1.2
95.95213	1.0
96.96013	13.1
101.02408	0.8
107.05030	1.1
108.02164	5.1
111.00875	1.1
119.05022	1.6
121.02945	2.9
122.03777	1.2
123.04525	2.4
129.01976	1.0
131.49857	0.9
133.02937	1.1
133.05310	1.1
134.03705	3.6
134.06108	2.0
135.04520	4.0
136.01654	91.3
137.01990	3.3
147.04483	1.2
148.01572	1.0
148.04111	1.4
148.05283	11.6
149.02464	7.2
149.06056	3.6
150.03224	9.0
151.03996	100.0
152.04321	2.4
153.05661	1.5
160.04004	0.8
162.05595	1.9
163.03999	1.1
164.04712	0.9
165.05579	5.6
165.36717	0.7
175.03960	1.8
176.03552	1.6
176.07118	1.3
177.06718	5.6
178.05084	6.8
190.05074	3.4
191.03477	1.3
192.06598	1.1
199.52766	0.8
209.04536	2.1
210.04829	1.1
238.98712	1.1
241.00273	1.2
256.99649	3.4
258.01608	0.8
283.26352	3.7
284.26685	2.4
297.09995	3.3
310.10873	2.8
311.11356	2.8
311.14511	5.9
312.12357	24.9
313.12839	2.1
324.12274	1.7
326.13879	2.4
328.11853	9.2
329.11923	0.9
337.11887	2.2
369.14444	0.9
402.13339	1.5
416.14963	1.1
417.15692	1.0
419.24399	1.1
428.14865	1.1
431.19855	6.8
432.19345	1.4
460.17706	15.8
461.17847	3.4
463.20114	2.9
489.20255	26.6
490.20685	4.7
499.34268	1.2
533.62537	0.9
591.21289	1.8
623.23828	6.6
641.25073	15.4
641.35126	2.0
642.25348	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	641.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47813	0.5
57.03429	1.4
59.01378	1.1
64.37923	0.4
67.53702	0.4
69.53781	3.5
69.54124	0.6
71.01382	2.4
72.99292	0.6
77.83037	0.4
79.95732	41.6
80.96515	9.2
83.01363	1.7
85.02948	1.8
87.00867	3.8
94.98073	2.0
95.95225	1.1
96.96004	55.8
99.00893	2.6
101.02428	1.7
111.00869	8.6
113.02442	0.8
115.00362	1.0
120.95992	1.4
127.00351	0.9
129.01906	4.2
138.97050	3.7
150.96979	0.6
154.96555	0.7
159.03008	1.2
166.96558	0.7
176.98587	0.5
177.03990	0.5
177.81685	0.5
210.99113	1.7
225.23639	0.5
238.98647	8.8
241.00203	5.1
256.99695	21.8
463.20071	6.4
464.20279	0.7
641.24768	100.0
642.25067	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	641.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
55.35098	0.4
57.03432	0.7
59.01375	2.1
71.01368	3.2
72.99290	0.7
73.02911	0.5
74.02464	0.5
75.00861	0.6
76.96992	0.3
79.95729	31.9
80.96508	12.1
80.96994	0.6
83.01368	2.9
85.02928	2.3
87.00865	3.8
89.02467	0.5
93.03428	0.5
93.75060	0.3
94.98071	1.2
95.01395	0.4
95.95222	2.1
96.96001	81.5
99.00881	2.8
101.02416	1.0
103.00360	0.5
103.62706	0.3
106.28007	0.4
111.00874	10.1
113.02437	0.9
115.00361	0.9
120.96014	1.8
127.00392	1.6
129.01933	5.8
136.95494	0.8
136.99078	0.4
138.97058	4.1
141.01875	0.5
150.97063	1.0
154.96542	1.3
159.02957	2.1
166.96568	0.6
167.00191	0.8
176.98669	0.4
177.03989	0.7
178.21071	0.4
180.06622	0.3
182.96065	0.5
190.96443	0.6
192.98183	0.8
210.99123	2.1
238.98637	14.0
239.98781	0.5
241.00227	7.3
256.99695	41.7
257.99945	1.0
360.09882	4.4
360.59924	0.7
361.09805	0.5
461.18472	1.6
463.20001	8.8
464.20361	0.9
597.22437	0.4
641.24762	100.0
642.25092	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	639.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.5
57.03440	5.8
58.00574	1.1
59.01374	24.7
60.99306	0.8
63.58590	0.8
68.99804	0.8
69.03445	3.2
70.91992	1.8
71.01380	15.3
71.04675	1.1
71.05017	12.4
72.17140	0.8
72.99290	4.8
73.02934	2.1
74.02469	0.9
75.82867	0.7
78.38735	0.7
83.01368	3.1
83.04984	1.1
85.02942	14.8
85.09023	0.7
87.00874	5.6
87.04504	1.7
88.98816	1.0
89.02438	8.9
95.01370	1.7
96.95987	2.9
97.02934	4.9
97.06570	2.0
98.02383	0.7
99.00864	2.9
99.04506	1.5
101.02421	5.6
107.84716	0.6
108.02158	2.9
109.06534	1.1
111.00842	1.7
111.04463	0.9
111.08141	1.7
113.02441	6.0
115.04003	1.9
119.03501	2.6
126.93590	0.7
129.01926	11.4
131.08170	0.7
133.02971	1.4
134.03714	1.0
135.04550	1.3
137.06068	0.9
141.01889	2.8
143.19261	0.7
151.11285	0.9
152.01134	5.5
153.01884	2.1
159.02930	1.3
161.02435	5.1
165.05542	1.0
179.14386	17.0
180.14684	1.2
191.05600	4.4
203.08162	1.4
205.12285	1.7
209.06638	16.3
223.13379	12.0
228.37076	1.0
245.09406	3.8
267.12363	10.4
268.12671	1.1
447.18668	11.8
455.38074	0.9
459.18683	12.5
460.19043	1.4
639.15979	7.7
639.24988	100.0
640.16150	2.0
640.25525	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	639.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95730	0.5
55.01857	1.0
57.03444	4.3
57.84438	0.5
58.00604	1.1
59.01379	21.8
59.46296	0.5
67.01881	1.2
68.99809	1.6
69.03458	3.3
70.40019	0.6
70.40357	1.4
71.01379	19.9
72.02139	1.3
72.99303	5.8
73.02948	3.4
75.00877	1.4
81.26299	0.5
83.01385	3.3
85.02946	20.0
87.00883	4.3
87.04499	2.3
89.02444	8.8
94.91393	0.5
95.01398	1.6
96.96014	1.2
97.02943	4.9
99.00886	5.1
99.04512	0.8
101.02435	9.5
108.02209	0.7
109.02935	0.5
111.00858	2.0
113.02444	7.4
115.03977	2.3
119.03475	2.4
123.08163	0.7
129.01939	9.5
130.95090	0.5
134.03749	1.7
141.01913	2.0
141.09222	1.4
149.02399	1.2
150.03229	3.0
151.00284	0.6
151.04002	0.7
153.01901	1.0
153.09180	0.6
155.10742	1.6
155.85983	0.6
159.02960	0.8
160.01639	1.1
161.02408	1.5
161.04573	1.2
165.05540	3.8
175.03949	1.2
179.05606	0.6
181.05013	1.7
190.83607	0.5
191.05591	5.0
193.05046	1.2
195.06584	2.1
206.08232	1.7
207.08475	1.3
209.06674	5.4
241.18108	1.2
242.02184	1.9
249.06093	1.4
250.50075	0.5
267.07150	0.9
267.12262	0.6
269.17560	0.6
270.01678	2.2
271.02274	0.8
285.04099	1.4
295.05774	0.6
295.10846	1.1
298.01004	0.6
299.01950	0.6
312.09949	0.8
313.03473	12.7
313.07172	0.6
314.04105	1.6
315.04950	1.0
325.10776	0.6
327.12326	1.7
373.12549	0.7
447.23111	3.4
461.23914	2.0
477.10583	0.9
518.18256	0.8
589.25085	2.1
607.17413	0.9
639.16656	12.8
639.28619	100.0
640.17010	1.9
640.28876	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	639.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07402	1.3
59.01367	4.4
61.98809	2.0
65.65402	1.1
70.71552	0.9
71.01366	2.4
71.14267	1.0
71.62764	2.0
75.00874	1.9
79.95747	1.4
84.00877	1.2
85.02956	1.5
85.16776	1.0
93.03449	6.6
93.67625	1.2
96.96001	9.9
97.02945	1.0
101.02441	1.6
106.67081	1.1
108.02167	18.6
109.02959	12.2
113.02390	1.7
113.29849	1.2
119.05025	9.2
120.04524	1.8
121.02946	6.9
123.04514	5.5
131.03740	3.5
132.04524	3.0
133.05322	35.3
134.03702	3.5
134.06078	3.7
135.04483	5.2
145.02925	1.3
148.01642	1.3
148.05267	3.7
149.02342	1.8
151.04018	1.4
153.05539	1.4
159.03233	1.5
159.04456	1.5
160.04037	10.7
161.02412	6.1
162.05617	2.0
163.03996	2.4
172.04018	1.5
175.03951	1.2
178.05045	1.9
193.04962	1.4
221.06075	2.2
225.75609	1.0
233.09306	1.0
237.05499	3.2
238.06259	1.2
239.07083	10.6
240.07707	1.2
249.05527	7.3
250.06146	1.8
253.04926	1.5
254.09453	4.8
263.06998	1.9
264.06754	1.7
265.04984	2.8
265.07462	1.9
266.05728	2.8
267.06586	2.6
279.23257	1.9
280.07220	1.9
281.08191	2.5
281.65997	1.1
290.08224	3.0
291.08896	1.6
292.06082	2.9
293.06915	2.2
306.07709	1.6
307.11981	1.3
308.09317	6.4
309.12393	2.8
310.10757	2.1
313.10831	1.8
357.11066	2.8
368.10699	1.5
382.10867	1.7
383.11270	1.1
400.11819	48.5
401.12222	6.6
410.10220	1.7
411.11090	14.3
412.11655	3.2
414.13324	5.0
415.14346	7.5
416.14822	1.6
425.13229	1.3
426.13345	21.4
427.13745	2.3
428.14960	10.2
430.16599	42.9
431.16718	5.1
440.14905	1.5
454.11737	3.7
458.15961	5.8
459.27277	2.2
460.17514	8.8
469.14050	11.9
470.14465	1.6
476.17215	13.5
483.15430	2.6
515.17950	2.3
545.19104	11.8
546.19318	3.0
549.24139	2.4
589.19757	41.3
590.19562	6.0
621.22363	100.0
622.22723	18.8
639.23877	4.5
639.34875	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	638.281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	10.3
59.01367	2.1
61.28904	0.4
61.98829	0.5
70.02968	3.9
71.00983	0.9
71.01372	1.8
72.00897	3.0
72.44227	0.5
85.02943	1.3
87.00864	0.7
88.98812	0.9
89.02440	1.0
91.05525	3.2
96.96004	3.1
101.02444	1.2
101.23769	0.6
108.02179	0.7
113.02445	1.1
116.92883	0.9
119.03495	0.6
120.01263	0.5
129.01918	0.5
134.03734	0.6
135.04517	1.8
147.04518	19.6
148.04854	0.8
149.02448	0.5
150.03232	1.0
151.00356	0.5
152.01135	1.1
161.02420	1.9
162.09206	0.6
164.07149	53.0
165.05528	1.3
165.07428	3.1
166.02687	2.3
181.05084	3.1
193.05042	0.7
195.06630	0.8
206.08194	100.0
207.08536	7.2
208.08698	0.8
209.06668	1.3
217.24370	0.5
250.07196	1.2
377.60297	0.5
387.15939	0.5
399.10596	0.4
477.17828	0.9
517.18744	0.5
528.50903	0.6
548.14673	0.6
638.24615	1.3
639.16461	1.6
639.26544	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05962	0.2
55.94986	0.2
56.78719	0.2
58.00609	0.2
59.01377	2.4
62.35419	0.2
65.03965	2.1
67.01883	1.1
69.03461	0.2
70.54567	0.2
71.01381	2.5
71.63333	0.4
73.02948	0.3
79.95773	0.3
81.03439	0.2
83.01370	0.4
85.02949	1.5
87.00871	0.7
89.02446	1.5
91.01882	1.7
93.03470	0.2
96.96024	0.8
97.02941	0.4
99.00903	0.5
101.02433	1.8
109.02943	23.1
110.03268	0.6
111.00877	0.4
113.02428	1.5
117.03456	0.4
119.03488	0.3
123.04491	0.2
124.68307	0.2
125.02435	0.5
131.03464	0.2
133.02196	0.2
133.02942	8.5
134.03680	0.8
135.00880	9.8
135.04501	6.6
136.01189	0.3
141.01871	0.3
143.03459	0.2
153.01923	100.0
154.02277	3.1
155.21829	0.2
161.02428	21.3
161.04587	0.6
162.02776	0.8
175.03983	0.3
177.01906	0.3
177.05499	0.5
178.02690	0.2
179.03494	3.0
180.03716	0.2
193.05019	0.6
203.03517	0.3
209.06644	0.3
221.04536	0.3
245.06534	0.3
300.02417	0.4
315.04916	1.0
362.17422	0.2
477.12442	5.7
478.12668	0.7
485.12772	0.8
486.87708	0.2
516.17133	0.2
595.16260	1.3
639.15497	20.8
640.15692	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	639.234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
69.75124	5.2
69.92094	0.9
77.72803	0.9
78.48927	1.1
82.16399	1.0
93.03456	5.9
96.96015	4.7
108.02177	2.1
109.02945	1.9
109.77911	0.9
119.01453	1.0
121.02947	10.2
123.04504	1.0
133.05316	18.8
134.06117	5.5
134.11815	1.1
135.04498	3.3
148.04016	1.7
148.05226	1.1
149.04758	1.6
159.04501	2.3
160.04047	11.0
173.02393	1.5
195.08127	1.3
209.04433	2.6
211.07584	2.4
220.05296	1.0
221.06084	3.6
223.07643	1.7
224.04532	1.1
235.07600	1.3
237.05553	3.5
239.07059	9.0
239.09177	1.2
240.07518	1.5
248.04683	1.2
249.05492	4.6
250.06230	2.4
251.03583	2.1
251.07063	2.9
263.07205	6.0
265.05042	5.3
265.08044	0.8
266.05688	3.7
267.06586	57.8
268.07187	9.3
269.08127	1.7
270.11276	2.5
277.05002	1.1
279.06659	1.6
279.23248	1.9
280.07391	2.0
281.08215	7.5
281.24731	1.2
282.08939	49.7
283.09686	15.4
293.04388	5.0
294.05313	4.8
295.09821	1.3
296.10504	8.0
297.11285	78.7
298.08597	1.2
298.11572	6.8
308.06677	3.2
309.07620	12.2
310.07736	2.3
322.07574	1.3
323.08890	4.0
324.09076	1.6
326.10376	1.7
337.09198	1.1
338.10233	3.2
349.09406	1.3
350.10287	1.4
352.08060	2.1
352.11917	2.8
357.11096	1.4
364.08026	1.2
382.12750	2.9
385.10867	7.9
386.11264	1.8
400.13101	9.8
401.13217	2.0
402.13455	1.4
415.15463	17.2
428.11249	3.6
429.11649	1.3
430.12839	17.7
431.13348	2.8
441.13483	1.2
443.13568	6.3
444.14197	1.5
445.15359	11.6
446.15924	4.2
458.16043	31.5
459.16162	3.3
460.17630	100.0
461.17877	11.9
476.17056	8.3
484.13846	5.8
486.15524	17.3
487.15457	2.3
501.44791	1.0
502.14734	1.2
527.18494	1.9
545.19080	8.8
578.21765	33.5
579.22235	5.4
621.22333	51.9
622.22760	8.7
639.23309	20.1
639.33990	1.3
640.23810	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	638.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52806	0.3
57.05250	0.3
58.02971	11.8
59.01379	7.1
68.79829	0.3
69.13943	0.3
69.35663	2.7
70.02970	4.6
71.01382	2.5
72.00900	2.8
85.02945	1.0
86.42999	0.3
87.00874	0.5
89.02441	1.8
91.01880	0.4
91.05531	3.2
96.96011	2.2
101.02454	1.7
109.02955	1.7
113.02435	1.0
119.03471	0.5
124.47836	0.3
129.01944	0.5
133.02974	0.3
135.04507	0.8
147.04509	20.7
148.04834	0.7
152.01131	0.6
153.01936	1.4
161.02486	0.8
162.09306	0.8
163.11275	0.6
164.07150	55.2
165.07510	2.2
166.02583	0.5
177.32126	0.3
181.04996	0.3
206.08199	100.0
207.08514	4.6
207.10327	1.3
209.06648	1.5
241.00204	1.7
250.07164	0.9
345.08423	0.4
377.10028	0.6
387.16586	17.1
388.16992	1.5
397.15088	0.6
422.98996	0.5
459.18631	0.5
589.28357	0.3
638.24603	0.6
639.16168	0.8
639.25891	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	637.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	35.2
61.98832	27.0
71.01380	44.1
71.62041	4.0
71.62477	5.9
73.02934	4.5
79.95755	8.7
80.96505	52.1
85.02924	7.8
87.00870	13.8
89.02435	46.5
94.98064	13.6
96.95977	6.4
101.02437	27.3
111.37817	4.2
113.02434	20.3
119.03484	22.5
131.39687	4.1
142.23216	4.7
143.03517	8.7
161.04565	6.7
164.41003	4.3
164.98595	11.8
176.01103	5.2
179.05565	22.9
215.03235	15.0
221.06586	12.8
225.00764	17.4
277.21695	100.0
291.23163	6.8
319.22565	10.2
323.09851	31.5
341.10861	61.7
525.83984	4.8
577.26776	72.7
578.26794	8.4
579.26892	23.9
599.21362	5.2
601.32092	39.8
637.20752	6.3
637.30737	31.6
638.31195	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	637.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57515	0.3
55.01865	0.7
57.03445	1.0
59.01373	5.7
68.99814	0.5
69.03467	1.0
69.47929	2.8
71.01380	16.6
72.01727	0.3
72.99303	4.6
73.02953	2.1
75.00867	11.3
83.01380	3.5
85.02950	7.1
87.00868	1.7
89.02437	2.1
93.03464	0.7
94.17889	0.3
95.01385	2.5
96.95995	2.6
97.02967	0.7
99.00873	15.4
101.02435	4.0
106.16788	0.4
111.00842	0.9
113.02437	7.4
115.00378	1.1
119.03483	0.5
121.02946	100.0
122.03286	2.2
127.82805	0.4
131.03496	0.7
134.03654	0.4
135.04559	0.4
139.00375	0.4
143.03470	0.5
157.01439	2.8
161.04533	0.8
197.10632	0.4
209.06570	0.4
217.81610	0.4
221.06641	0.6
337.07782	5.5
393.10483	1.0
406.74234	0.4
441.10150	0.5
457.11469	0.7
463.25690	0.8
515.14001	7.7
516.14282	0.6
590.02753	0.4
637.17670	58.8
638.18042	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77729	1.2
59.01370	4.6
60.73769	1.0
71.01363	3.7
71.21990	2.5
73.84946	1.3
78.57672	1.2
85.02936	1.7
87.04494	3.4
88.98792	1.9
89.02432	2.5
93.03439	5.5
96.96000	8.3
101.02421	1.9
113.02409	2.6
122.40607	1.5
123.04610	1.4
135.04475	2.6
137.02437	13.8
149.02414	4.4
150.03207	9.4
150.05562	1.3
165.01923	7.0
165.05568	18.3
180.04259	7.1
181.04988	1.6
195.06612	35.8
196.06923	1.7
211.06161	1.3
227.13945	3.1
243.08661	4.5
255.11301	1.6
267.07132	1.7
299.07703	4.0
331.11694	4.8
337.11310	3.1
358.61057	1.4
359.33569	1.3
391.13916	6.6
439.16058	100.0
440.16296	8.6
601.21478	3.4
637.18732	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	637.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.98826	0.2
65.03957	0.6
71.01385	1.1
71.62614	0.2
73.02944	0.3
78.73696	0.2
79.95727	0.6
80.96468	0.2
85.02947	0.8
87.00869	0.4
89.02412	0.3
89.03976	0.2
93.03452	45.9
94.03786	1.1
96.96014	1.7
97.02952	0.2
99.00864	0.2
101.02440	0.7
111.00900	0.3
113.02444	0.6
117.03465	0.8
119.03545	0.2
121.02944	0.2
121.21806	0.1
125.02438	0.3
132.02206	1.0
133.02979	0.3
134.02695	0.2
134.03738	7.9
137.02435	100.0
138.02774	2.8
143.03557	0.2
149.06093	0.6
160.01642	5.1
161.02431	0.2
161.04680	0.4
175.03992	4.9
176.04427	0.3
178.02715	0.3
193.05029	5.4
194.05370	0.2
235.05931	0.2
256.99811	0.4
269.13156	0.4
313.11948	0.2
361.10620	0.6
361.60919	0.2
384.71960	0.2
461.12988	1.2
461.18420	0.2
484.14209	0.3
499.14542	2.4
500.14691	0.2
593.18768	0.6
637.17303	4.4
638.18463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08089	0.6
57.03443	0.7
59.01377	4.8
61.98831	0.7
71.01360	3.3
71.63249	0.7
72.99309	0.8
79.95734	3.9
80.96524	1.1
82.74632	0.7
83.01384	0.8
85.02943	2.1
87.00905	1.8
88.98783	3.5
89.02452	1.5
95.95231	1.6
96.96006	9.8
97.02982	0.9
99.00906	0.8
101.02481	1.5
111.00913	0.8
113.02436	1.3
119.05786	0.6
119.32195	0.5
129.01987	1.5
134.03717	0.9
138.62068	0.6
143.59943	0.6
144.93718	0.5
151.00386	1.7
151.52895	0.6
153.01912	0.7
155.10896	0.6
174.91920	0.5
191.05453	0.7
193.05003	0.8
197.56998	0.6
199.04001	2.1
214.02716	1.8
226.02823	1.1
227.03510	2.7
242.02182	15.0
243.02982	7.0
245.00948	2.2
254.02205	2.1
255.02948	5.6
256.03180	1.1
256.99707	1.6
270.01675	24.2
271.02399	12.3
272.02640	0.7
285.04028	20.1
286.04501	1.9
297.29910	0.6
298.01074	5.5
299.01947	53.6
300.02417	3.0
300.05435	0.6
313.03506	66.7
314.04276	79.7
315.04694	5.4
328.05844	10.4
329.06622	100.0
330.07025	7.7
360.09891	11.1
360.60043	2.1
445.20682	1.4
463.19971	0.8
517.18976	1.8
561.17981	1.5
637.17633	96.8
637.26349	5.1
638.18042	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	636.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02968	9.8
59.01129	0.3
59.01369	2.2
63.02320	0.4
63.45123	0.3
67.44735	0.3
70.02967	5.0
71.01394	1.8
71.62815	0.4
72.00895	2.6
79.95747	0.5
83.01408	0.5
85.02950	1.0
86.85406	0.4
87.00903	0.4
89.02439	1.0
91.05515	2.6
92.16977	0.3
93.06831	0.4
96.95988	2.9
98.95623	0.6
99.00911	0.5
101.02429	0.9
103.05534	0.4
113.02477	0.6
116.92836	0.6
121.02938	0.4
128.80470	0.4
129.01952	0.6
132.02153	0.9
134.03705	1.0
135.04497	1.2
137.02431	0.6
138.01945	0.8
147.04504	21.2
148.04828	0.8
148.71548	0.3
149.06075	0.5
150.03229	1.1
151.03534	0.5
160.01639	2.7
160.02776	0.4
161.02151	0.8
162.09183	0.5
164.07144	54.2
165.01929	0.5
165.05498	2.1
165.07509	2.3
166.02167	0.5
166.05908	0.6
173.23355	0.4
175.03990	4.2
176.04318	1.1
180.04184	0.6
192.96407	0.4
193.05121	1.8
195.06577	1.8
196.06944	0.9
206.08194	100.0
207.08534	5.5
209.06564	0.8
235.46385	0.4
243.08804	0.4
250.07196	0.9
267.07233	1.7
271.02579	1.7
272.02960	0.4
299.01935	2.3
300.02328	1.4
301.03116	0.8
337.26794	0.4
400.08926	0.8
635.67487	1.9
636.16296	2.0
637.24158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87066	0.2
56.46259	0.1
59.01372	1.0
62.42940	0.1
65.03964	0.6
71.01387	1.2
72.85630	0.2
73.02949	0.2
77.56734	0.1
79.95731	1.3
80.14471	0.1
80.96492	0.2
83.01386	0.2
85.02960	0.6
87.00883	0.2
89.02425	0.3
89.03915	0.2
93.03452	44.2
94.03800	1.0
96.96018	1.5
97.02930	0.2
99.00880	0.2
101.02444	0.4
103.15988	0.2
111.00853	0.3
113.02435	0.4
117.03460	0.6
121.03014	0.2
125.02413	0.2
128.08759	0.2
132.02203	1.2
134.03738	7.3
135.04388	0.2
137.02435	100.0
138.02774	2.9
143.03461	0.2
149.06052	0.5
160.01649	5.0
161.02231	0.2
175.03995	4.3
175.80223	0.2
176.04459	0.2
178.02748	0.3
182.71117	0.2
193.05051	5.4
205.38120	0.2
209.06479	0.2
238.98743	0.2
256.99673	0.4
360.09848	2.6
360.59940	0.6
361.10089	0.4
431.13205	0.2
461.12784	1.3
463.20117	0.3
499.14478	2.1
500.14890	0.2
593.19061	0.8
594.18353	0.2
637.17590	5.9
638.17987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64070	0.3
56.35037	0.3
59.01368	0.4
69.59218	2.0
71.01352	0.4
73.93668	0.3
76.52467	0.3
78.95891	0.3
87.91102	0.3
98.19897	0.7
100.70902	0.3
151.23241	0.3
204.10056	0.3
279.23254	100.0
280.23605	8.1
541.73633	0.3
547.05219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98584	0.4
56.24234	0.4
57.03442	0.5
58.00578	1.0
58.38684	0.4
59.01375	27.3
61.98796	0.7
69.26512	2.0
69.26936	2.8
70.97514	0.4
71.01377	16.6
71.90383	0.4
72.39423	0.4
72.99296	2.0
73.02928	0.8
79.95744	3.7
80.96502	1.4
83.01369	1.0
85.02949	4.5
87.00856	1.8
89.02441	18.7
89.77573	0.5
91.18664	0.5
91.25083	0.4
94.68906	0.4
95.01378	1.5
95.95244	1.3
96.96005	50.4
99.00889	0.9
100.99152	0.4
101.01759	0.8
101.02436	13.6
113.02453	7.5
115.00397	0.6
115.18076	0.4
119.03506	7.0
119.74081	0.4
120.01353	0.4
129.01955	0.9
131.03543	0.5
132.94835	0.5
134.03728	1.9
135.04454	0.8
137.02444	0.6
138.97037	2.0
143.03535	0.7
160.04047	0.5
161.02438	0.6
166.02544	0.6
175.02463	0.8
181.04849	0.6
193.05058	2.0
199.78571	0.5
209.06615	1.8
211.06122	0.9
223.06024	0.6
241.00198	4.8
373.18637	12.1
374.18878	0.9
385.11368	4.3
391.19492	1.2
409.15369	5.1
471.15121	1.0
553.24854	2.4
553.54987	0.5
595.12744	0.5
633.20587	100.0
634.20923	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	635.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03450	0.9
58.00577	1.2
58.08977	0.4
59.01373	21.8
60.45140	0.4
61.98819	1.0
63.05486	0.4
69.03456	0.8
69.89935	1.3
69.90343	0.7
71.01376	19.9
72.99294	1.1
73.02942	4.1
78.95911	1.1
83.01372	1.5
85.02948	5.6
87.00863	3.3
89.01909	0.6
89.02441	10.8
90.57125	0.4
95.01374	1.5
95.91957	0.4
97.02895	0.5
97.06577	0.4
99.00857	1.0
101.02436	13.6
101.16950	0.5
101.98226	0.5
111.00919	0.4
111.06209	0.4
113.02444	7.7
115.36792	0.4
119.03513	2.8
122.36111	0.5
124.01534	0.5
125.02419	0.7
131.61099	0.4
152.99533	0.5
156.66599	0.4
158.62108	0.4
168.36327	0.4
183.13846	1.9
188.15787	0.4
195.13875	16.1
196.14171	0.7
201.14914	0.6
205.76320	0.4
211.05370	0.5
213.14934	8.5
220.68297	0.4
249.27016	0.5
261.22385	0.4
277.21698	23.9
278.21988	1.5
288.84189	0.4
291.23306	3.0
319.22769	0.9
332.85312	0.4
357.19159	12.0
358.19379	1.2
375.20187	23.6
376.20502	1.3
474.16891	1.1
488.18399	0.5
489.19153	0.8
575.22998	2.1
576.23322	1.0
635.26093	12.0
635.41553	100.0
636.26001	2.9
636.41864	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	633.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13799	0.5
58.00582	1.3
59.01377	29.7
65.21098	0.4
69.79993	2.6
71.01378	15.0
72.99287	1.7
73.02948	0.9
74.02499	0.5
79.95731	7.1
80.96512	2.2
83.01378	1.2
85.02946	3.5
87.00880	1.3
89.02436	16.0
95.01383	1.4
96.96004	60.1
98.20595	0.9
101.02439	12.9
103.03992	0.5
113.02435	6.6
119.03484	6.8
123.43753	0.5
128.02800	0.5
129.01888	0.5
131.03508	0.6
134.03717	1.3
138.97043	2.6
166.96556	0.7
176.76558	0.5
179.03499	1.1
189.64690	0.4
191.05632	0.7
193.05092	1.9
193.12448	0.5
209.06691	1.3
235.82256	0.5
241.00198	5.4
245.09348	1.4
246.09541	0.5
246.53241	0.5
251.84801	0.5
256.99841	0.8
259.01331	0.5
356.28656	0.4
367.10425	0.9
373.18585	11.5
385.11337	2.3
391.19522	0.7
409.15338	4.4
410.15884	0.6
471.15253	1.0
478.07132	0.5
482.71634	0.5
542.63568	0.5
553.24677	2.9
633.20581	100.0
634.20892	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	633.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
57.03440	8.0
59.01377	10.7
68.99830	2.6
69.03448	7.2
71.01378	14.9
72.99303	6.5
73.02947	3.5
79.95733	9.6
80.96507	2.4
83.01392	5.5
85.02945	25.3
87.00869	10.6
87.04497	3.1
88.98779	1.3
89.02441	5.1
95.01385	1.2
95.95223	6.8
96.96004	62.6
97.02937	7.5
98.19894	2.4
99.00893	6.5
101.02441	4.2
103.04049	2.6
103.79646	1.2
110.97583	2.2
111.00874	5.6
113.02459	3.4
115.04032	3.5
122.97655	1.9
129.01930	22.5
133.02919	2.1
134.03726	65.8
135.04541	6.4
136.01746	1.4
137.02441	9.4
138.97054	2.6
139.03993	2.6
141.01965	4.2
147.04512	1.5
149.06058	22.2
149.07195	1.6
150.03217	2.2
159.02965	3.6
160.01666	5.1
161.02458	3.1
164.07146	1.8
167.03465	1.6
175.03960	6.2
178.02702	34.1
179.03448	6.1
181.05168	1.4
191.05589	14.6
193.05040	100.0
193.57283	1.2
194.05338	5.3
206.08167	4.9
207.08575	1.8
209.06613	14.4
225.00735	2.1
235.06285	1.9
241.00153	6.2
256.99707	3.5
261.07706	2.0
291.08786	1.6
316.12402	1.6
335.07718	3.5
353.08514	2.2
367.10318	6.0
383.13870	2.5
385.11365	28.2
386.11588	2.9
397.11487	5.3
493.17191	1.6
539.14172	2.9
547.16571	3.0
589.17688	87.3
590.18097	11.3
633.13898	38.4
634.15253	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	632.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01378	0.7
61.98828	0.2
64.61333	0.2
68.99802	0.3
69.03446	1.1
71.01370	1.4
72.99294	1.2
73.02920	0.3
79.01881	0.5
79.95734	2.2
80.96528	0.6
83.01376	0.5
85.02941	2.1
87.00878	1.0
89.02423	0.3
89.03955	0.4
96.96003	4.7
97.02940	1.1
99.00890	0.6
101.02406	0.3
102.05598	3.1
107.05016	0.4
108.02161	0.2
111.00858	0.7
113.02413	0.4
117.03463	0.8
123.04533	0.2
128.03531	1.0
129.01933	1.7
132.02155	0.7
133.02939	1.7
134.03729	14.2
135.04510	100.0
136.04832	3.6
137.02390	0.3
138.82594	0.2
141.01936	0.7
149.06079	1.8
150.03313	0.2
150.06502	0.2
155.03476	0.7
159.02942	0.5
160.01625	3.0
161.02426	5.5
162.02707	0.3
173.04565	0.9
175.03969	4.6
176.04572	0.3
178.02666	0.6
191.05571	1.7
191.07071	0.3
193.05035	9.9
194.05334	0.5
209.06633	3.0
217.08511	0.2
233.08130	0.5
235.06145	0.4
238.98663	0.4
241.00127	0.2
246.07719	1.9
247.06154	0.2
256.99689	0.3
264.08728	39.1
265.09085	2.1
275.05591	0.4
291.08624	0.3
318.09500	0.2
335.07590	0.4
360.09885	3.9
360.59961	1.1
361.09735	0.9
367.10300	12.8
368.10660	0.9
385.06601	0.2
385.11389	4.0
386.12012	0.2
388.10196	0.3
406.11447	0.3
438.14130	0.4
456.15179	1.1
470.16562	1.3
578.22919	0.2
631.73468	0.2
632.19653	12.2
633.19946	1.9
647.48584	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96387	0.2
57.03441	0.6
58.85965	0.3
59.01385	1.8
61.98814	1.8
62.33556	0.2
67.01909	0.3
68.99817	0.2
69.03461	1.3
71.01378	2.5
71.62804	0.4
72.99307	1.6
73.02958	0.3
75.27378	0.2
75.65606	0.2
79.01894	0.8
79.95742	0.7
83.01398	0.5
85.02957	2.8
87.00873	1.4
89.02437	0.4
89.04000	0.3
93.03448	0.4
95.01433	0.3
96.96007	4.1
96.96580	0.3
97.02953	1.5
99.00890	0.7
101.02439	0.6
102.05611	4.0
107.05006	0.4
109.02946	0.3
111.00868	0.9
111.04542	0.2
113.02451	0.8
115.03999	0.4
117.03458	1.2
121.02934	0.3
125.02392	0.3
128.03539	1.3
129.01927	1.8
132.02193	0.8
133.02957	2.2
134.03737	15.4
135.04518	100.0
136.04866	3.5
137.02444	0.6
141.01945	1.0
149.06068	2.5
150.03188	0.7
153.01872	0.2
155.03476	1.0
159.02969	0.7
160.01668	4.0
161.02440	6.9
162.02885	0.3
165.05528	0.6
173.04501	1.7
175.03976	4.1
176.04791	0.3
178.02716	0.7
179.03473	0.7
182.94939	0.2
189.18701	0.2
191.05586	2.3
191.07132	0.4
193.05043	9.9
194.05467	0.6
195.06577	0.4
209.06645	3.3
209.08447	0.2
233.08206	0.8
235.06078	0.6
241.00243	0.4
246.07727	2.8
256.99619	0.5
261.07620	0.2
264.08740	37.4
265.09094	2.0
273.94824	0.3
275.05725	0.5
318.09787	0.3
335.07562	0.6
353.08688	0.5
367.10333	10.7
368.10678	0.8
371.11880	1.2
371.62091	0.6
385.11331	3.9
386.11655	0.6
388.10333	0.8
403.09781	0.5
438.13770	0.4
456.15350	1.6
470.16595	1.6
582.15857	0.3
632.19666	13.9
633.19769	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	632.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05780	0.7
55.01870	0.7
57.03440	4.5
59.01373	6.8
61.98812	2.2
62.34941	0.7
67.01874	1.7
68.99809	1.5
69.03441	7.1
69.49043	3.9
69.49451	1.8
71.01385	8.5
72.99294	3.3
73.02930	1.3
79.95748	2.0
83.01388	2.6
85.02937	14.6
87.00877	6.3
87.04507	2.5
89.02438	3.3
95.01365	1.9
96.96006	13.2
97.02950	12.1
98.95603	1.7
99.00891	3.6
101.02476	1.1
102.04019	0.7
102.05602	2.6
109.02935	2.1
111.00879	3.5
113.02438	2.3
115.03986	2.5
120.99585	0.8
121.02947	3.0
123.00823	0.7
123.04549	1.1
126.59495	0.7
128.03528	6.6
129.01933	11.4
133.02966	1.6
134.03729	47.6
135.04550	10.8
137.02438	12.2
141.01936	11.0
144.04530	2.1
144.08249	0.9
148.05305	1.5
149.02429	8.4
149.06068	48.7
150.06477	1.3
153.05617	1.1
159.03011	2.7
160.01613	7.6
161.02414	2.8
166.05049	1.0
175.03978	18.1
188.07146	1.3
188.14688	0.9
189.06723	1.5
191.05618	5.4
193.05090	1.8
195.06522	1.0
209.06595	6.8
231.07724	10.0
241.00240	1.1
243.07588	0.9
246.07689	1.2
256.99866	1.0
260.09253	11.1
260.11838	1.0
261.09479	1.0
264.08667	2.2
265.71832	0.8
278.10315	39.3
279.10629	2.3
294.11966	1.3
339.09863	1.1
363.11752	1.0
385.11456	0.9
388.17047	0.9
420.12836	5.9
440.15512	7.2
452.15598	2.1
470.16681	21.1
483.15952	1.4
582.18311	2.5
589.17603	2.4
632.22070	100.0
633.20416	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	631.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64047	0.3
59.01372	1.2
61.98825	1.1
69.49242	3.1
77.11179	0.4
78.44339	0.3
78.95904	0.5
91.03586	0.4
123.48624	0.4
145.51988	0.4
152.99609	0.6
277.21683	100.0
278.22079	7.4
340.56000	0.4
420.28314	0.4
618.69104	0.4
618.93622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.3
59.01363	0.9
59.94429	0.3
61.98829	0.7
71.48767	0.3
78.95937	0.4
88.73511	0.3
89.21548	0.3
94.23787	0.3
106.65891	0.3
114.30611	0.3
152.99591	0.5
234.63893	0.4
241.50702	0.4
277.21695	100.0
278.22061	6.2
441.78030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.7
64.85732	0.3
67.83018	0.3
69.36792	1.6
69.37203	0.8
69.64842	0.3
69.90844	0.3
71.01379	1.5
72.99319	0.5
79.34588	0.3
79.95739	4.3
80.91722	0.4
80.96523	1.5
81.09061	0.3
82.95213	0.3
85.02950	0.7
87.00885	0.4
89.02429	0.8
95.95226	2.3
96.96003	65.3
98.19851	0.7
98.95588	1.1
99.00867	0.6
101.02431	1.3
111.00914	0.3
113.02440	0.6
122.97591	0.9
125.02437	0.5
130.08711	0.4
134.03740	0.5
135.04503	2.1
138.97054	2.4
149.06099	0.4
150.97060	0.8
151.00397	0.6
164.98711	0.4
165.01930	1.4
169.01419	0.4
179.03452	0.8
180.04240	1.0
180.98122	0.5
194.05867	0.4
195.06577	2.2
198.99039	0.8
204.88699	0.4
207.05067	0.4
225.00601	0.4
225.07716	0.9
241.00223	3.1
256.99469	0.5
357.11938	0.5
365.25458	0.4
383.16205	0.7
419.13647	1.5
421.15384	0.5
423.64661	0.3
427.77673	0.3
435.16898	0.4
451.16333	1.0
469.17441	1.2
583.20300	0.6
595.12561	0.4
631.22668	100.0
632.22882	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	631.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81165	0.5
59.01374	1.4
61.98832	0.7
68.99603	0.5
73.02935	5.1
74.25534	0.5
75.00859	1.9
75.90039	0.4
77.14204	0.4
77.59991	0.5
78.95898	0.5
85.02899	0.6
87.00880	0.5
88.00387	0.6
88.50769	0.5
96.95998	0.5
99.00887	3.0
99.92572	10.1
115.86189	0.5
116.07163	2.0
116.92852	100.0
116.97245	20.1
117.01933	11.2
117.05569	1.7
117.92865	4.5
189.83937	0.5
202.15335	0.4
277.21680	0.9
403.43445	0.5
482.57813	0.6
631.38995	2.5
632.95660	0.6
649.27551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3844
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
50.05543	0.4
52.51763	0.4
52.78686	0.4
55.01870	1.4
57.03447	3.8
59.01363	1.4
60.06672	0.4
67.01885	0.4
68.99795	0.6
71.01375	2.5
71.61240	0.6
72.99296	2.1
73.02952	0.6
74.10519	0.3
75.00867	23.2
83.01373	1.2
84.02170	0.5
85.02947	20.6
87.00871	1.3
89.02417	0.6
95.01376	2.2
99.00864	1.4
112.01649	1.1
113.02438	10.4
114.02772	0.5
117.01938	1.1
124.05203	0.5
129.01929	0.8
150.98531	0.4
157.01370	1.0
175.02441	0.8
192.40256	0.5
195.58362	0.4
212.61606	0.5
236.80467	0.4
437.34076	0.4
453.33725	1.2
455.35229	5.0
456.35745	0.7
509.36252	1.3
555.36829	2.4
613.36835	0.6
631.38428	100.0
632.38794	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	631.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13755	0.2
52.05283	0.3
56.82225	0.3
59.01363	0.4
61.20729	0.3
66.99346	0.3
69.94872	1.4
71.01374	1.7
73.02938	0.6
78.95901	0.4
81.03436	0.7
85.02946	1.9
93.03442	0.6
95.01373	1.8
96.95995	1.7
97.02946	0.3
98.20548	0.6
99.00873	0.3
101.02413	1.1
108.02159	52.2
109.02960	16.3
110.03289	0.6
113.02390	0.7
119.13573	0.3
120.99621	0.9
121.02920	0.9
121.94275	0.3
123.00871	0.8
123.04533	0.8
133.02946	0.5
134.99724	0.3
135.00899	0.3
135.04482	0.4
136.99117	0.3
151.03957	0.9
152.01132	47.7
153.01921	19.7
154.02229	0.5
163.03993	1.1
165.01915	1.2
181.05031	0.3
225.04108	0.5
315.07169	100.0
316.07468	5.9
527.42975	0.3
625.56232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70859	0.9
59.01374	2.8
60.39975	0.8
69.99116	4.6
71.01376	1.8
75.00875	1.5
93.03470	2.2
96.96003	8.3
98.19965	1.8
108.02139	1.5
119.03548	0.9
120.01344	0.9
121.02933	2.9
122.03723	4.7
123.04536	1.2
135.04436	1.5
136.01730	1.4
137.02414	2.2
149.02420	19.9
150.03218	44.1
151.03633	1.8
153.05614	1.5
164.04817	8.2
165.05554	91.0
166.05899	3.5
169.68790	1.0
180.04262	2.0
195.06590	14.4
200.05457	0.9
213.05867	1.0
213.07550	4.1
257.08151	1.0
267.06528	0.9
285.07721	4.2
286.08310	7.4
301.10767	20.1
302.11188	1.7
313.12939	1.8
315.07300	1.3
320.23462	1.0
361.12869	28.0
362.13232	2.1
380.41260	0.9
409.14972	100.0
410.15332	9.9
631.22943	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
53.36234	0.2
59.01364	0.6
61.91668	0.2
61.98819	0.8
65.00307	0.3
69.35231	0.9
69.35653	0.5
71.01366	0.3
77.03957	3.4
79.95724	0.5
85.02935	0.2
89.03958	1.8
93.03439	1.1
94.90691	0.2
95.04395	0.4
95.05019	7.5
95.95235	0.2
96.96003	1.5
98.19923	0.4
104.02668	0.2
105.03449	23.4
106.03796	0.5
121.02929	0.9
123.04509	1.8
128.93373	0.2
132.02176	0.9
133.02942	100.0
134.03259	2.9
137.02431	0.3
149.02440	0.5
151.03952	0.8
156.37743	0.2
161.02454	0.4
165.05688	0.2
177.01906	59.4
178.02254	2.0
185.42433	0.2
195.06619	0.2
241.00082	0.2
365.27872	0.2
368.09610	0.3
385.11389	0.2
565.00037	0.2
629.18414	0.3
629.30701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03451	3.9
59.01379	1.8
61.98819	2.7
68.99810	1.0
70.69702	2.1
71.01383	5.5
72.73499	0.7
72.99315	4.1
75.00867	28.2
83.01372	1.5
85.02950	22.6
86.00098	1.1
87.00877	2.7
94.02033	0.9
95.01395	3.3
99.00851	1.9
108.74582	0.9
112.01640	1.0
113.02444	12.7
115.00322	0.8
117.01882	1.8
123.08084	0.8
124.33971	1.0
129.01961	1.5
131.38979	0.8
175.02461	1.1
194.25958	0.7
449.84970	0.9
525.35962	1.5
629.36890	100.0
630.37134	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	629.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39851	0.4
55.01880	0.6
57.03420	0.4
57.89029	0.4
58.00583	0.8
59.01376	36.7
71.01373	8.3
72.99295	1.0
73.02925	0.4
75.85432	0.4
78.38265	0.4
79.95734	1.2
80.96535	0.5
82.02978	3.8
83.01388	0.7
83.32581	0.4
84.04528	0.5
85.02937	3.1
87.00849	0.6
89.02436	8.8
95.01377	0.8
95.95228	0.5
96.96001	8.1
99.00875	0.5
101.02435	7.0
111.00893	0.5
112.04025	0.9
113.02425	3.4
119.03487	3.6
127.05128	0.9
129.01918	0.8
130.08727	2.2
141.10347	2.8
151.00333	0.6
163.11272	4.4
165.05525	1.0
166.02635	0.7
168.09030	0.7
176.51027	0.4
181.05029	1.0
189.99449	0.4
191.05663	0.5
193.05026	0.5
195.06606	0.8
197.12938	11.3
197.14786	0.5
198.13373	0.6
207.10237	8.2
209.06686	0.4
241.00188	0.9
241.11911	17.3
242.12350	2.4
242.14682	0.4
243.12502	0.6
243.17018	1.9
387.16556	100.0
388.16919	8.3
416.34131	0.4
437.14139	0.9
467.15744	0.5
628.66766	0.7
629.21088	12.4
630.20905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98819	1.2
67.01875	0.8
69.03457	0.5
69.27174	1.8
69.27591	3.3
71.01366	2.2
75.00854	1.2
79.95720	2.2
80.96502	1.2
81.91862	0.5
83.01379	1.2
85.02953	0.9
89.02436	1.5
93.03439	2.3
95.01380	2.0
95.95220	1.3
96.96003	33.2
97.02949	1.1
99.00869	0.7
101.02409	1.3
104.35521	0.5
107.05070	0.7
109.02971	0.9
111.00861	1.9
113.02417	1.3
116.67771	0.5
119.05032	0.8
121.02957	2.9
122.03750	4.6
122.97591	0.7
123.00881	4.1
123.04475	0.8
124.01645	1.5
125.02410	2.2
127.00366	0.6
133.02953	1.3
134.03732	0.7
134.77545	0.5
135.04521	0.8
136.01616	0.9
137.02423	3.7
137.99585	0.7
138.03217	2.9
138.97020	1.5
139.00389	5.4
139.03952	1.4
141.01920	0.6
145.02934	0.7
145.09274	0.5
147.04509	3.6
148.01729	0.7
149.02429	9.3
150.03214	37.4
151.00366	9.2
151.03886	2.2
152.00777	0.5
153.01906	2.4
153.05582	1.5
154.02705	0.7
159.04549	2.8
160.01692	0.6
161.02386	1.7
162.03201	1.2
163.03938	1.9
164.04744	2.0
165.01935	1.1
165.05553	34.6
166.02696	22.1
167.03050	0.9
173.02449	0.8
174.03172	0.7
175.02573	0.8
175.03984	4.7
176.01060	1.1
176.04732	0.6
177.01920	2.7
177.05521	2.6
178.02649	1.7
179.03432	0.8
180.04294	4.0
181.05054	38.2
182.05382	0.8
187.03903	0.7
188.01137	0.6
189.01825	0.9
189.05545	1.1
190.02725	0.6
191.03471	8.0
192.04259	4.4
193.05090	3.5
195.06612	10.7
203.03468	16.6
204.04102	2.2
205.05034	2.6
207.06584	4.8
217.05051	1.4
218.05812	13.6
219.06406	2.4
220.03743	1.0
221.04536	3.5
222.05174	0.6
223.06154	0.5
233.04578	0.7
233.08147	18.3
234.05266	0.7
235.06032	2.2
236.06902	11.0
237.07448	0.8
241.00142	2.1
243.06343	0.6
246.19164	0.5
249.07613	1.3
251.09227	38.1
252.09473	2.1
283.06046	0.6
325.03220	0.8
329.10373	0.8
342.11478	0.7
355.08234	0.8
357.09760	1.3
358.10446	2.7
370.10596	0.7
372.12225	1.3
373.12878	5.2
375.11148	0.6
375.20142	1.1
385.12958	1.0
387.10934	0.7
402.09598	0.7
403.13937	2.1
416.10928	1.4
417.11917	1.3
418.12723	1.2
431.13260	2.6
432.14130	2.8
433.14984	16.0
434.15341	1.5
445.14981	1.2
455.15900	1.2
541.17975	0.7
551.15747	0.9
555.21198	0.6
581.20184	9.1
582.20276	1.2
611.21051	1.0
629.21869	100.0
629.36334	3.6
630.22229	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	629.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.7
60.29039	0.3
60.94883	0.4
61.98825	0.6
65.76978	0.4
66.50127	0.4
69.58602	1.1
69.59029	1.6
71.01378	3.3
72.99313	0.8
73.02947	0.5
79.78949	0.3
79.95732	13.3
80.96515	6.2
83.01362	0.5
85.02953	1.9
87.00880	1.9
87.56528	0.4
89.02428	1.1
95.95211	1.1
96.72830	0.4
96.96003	70.7
99.00899	0.4
100.83171	0.4
101.02441	2.9
111.00817	0.4
113.02455	1.2
120.99657	0.7
133.02882	0.4
134.03685	0.5
135.04538	0.6
137.96275	0.6
138.97061	5.0
150.97060	1.2
152.01163	0.6
153.05486	0.4
161.02435	1.0
165.01778	0.5
166.96521	1.1
167.03435	0.7
181.05138	0.8
184.98172	0.4
193.01442	0.4
208.03682	0.6
211.06158	0.4
223.06075	0.9
225.07587	0.4
238.98622	0.8
241.00198	17.9
241.07030	0.5
256.99701	1.9
259.01239	0.4
271.02454	0.8
299.01984	1.1
300.02692	0.6
368.53189	0.4
383.20062	0.4
387.16629	1.0
466.61490	0.7
467.11844	0.8
534.05176	0.5
628.66791	1.2
629.21149	100.0
630.21417	12.1
655.15161	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.98819	1.2
67.01875	0.8
69.03457	0.5
69.27174	1.8
69.27591	3.3
71.01366	2.2
75.00854	1.2
79.95720	2.2
80.96502	1.2
81.91862	0.5
83.01379	1.2
85.02953	0.9
89.02436	1.5
93.03439	2.3
95.01380	2.0
95.95220	1.3
96.96003	33.2
97.02949	1.1
99.00869	0.7
101.02409	1.3
104.35521	0.5
107.05070	0.7
109.02971	0.9
111.00861	1.9
113.02417	1.3
116.67771	0.5
119.05032	0.8
121.02957	2.9
122.03750	4.6
122.97591	0.7
123.00881	4.1
123.04475	0.8
124.01645	1.5
125.02410	2.2
127.00366	0.6
133.02953	1.3
134.03732	0.7
134.77545	0.5
135.04521	0.8
136.01616	0.9
137.02423	3.7
137.99585	0.7
138.03217	2.9
138.97020	1.5
139.00389	5.4
139.03952	1.4
141.01920	0.6
145.02934	0.7
145.09274	0.5
147.04509	3.6
148.01729	0.7
149.02429	9.3
150.03214	37.4
151.00366	9.2
151.03886	2.2
152.00777	0.5
153.01906	2.4
153.05582	1.5
154.02705	0.7
159.04549	2.8
160.01692	0.6
161.02386	1.7
162.03201	1.2
163.03938	1.9
164.04744	2.0
165.01935	1.1
165.05553	34.6
166.02696	22.1
167.03050	0.9
173.02449	0.8
174.03172	0.7
175.02573	0.8
175.03984	4.7
176.01060	1.1
176.04732	0.6
177.01920	2.7
177.05521	2.6
178.02649	1.7
179.03432	0.8
180.04294	4.0
181.05054	38.2
182.05382	0.8
187.03903	0.7
188.01137	0.6
189.01825	0.9
189.05545	1.1
190.02725	0.6
191.03471	8.0
192.04259	4.4
193.05090	3.5
195.06612	10.7
203.03468	16.6
204.04102	2.2
205.05034	2.6
207.06584	4.8
217.05051	1.4
218.05812	13.6
219.06406	2.4
220.03743	1.0
221.04536	3.5
222.05174	0.6
223.06154	0.5
233.04578	0.7
233.08147	18.3
234.05266	0.7
235.06032	2.2
236.06902	11.0
237.07448	0.8
241.00142	2.1
243.06343	0.6
246.19164	0.5
249.07613	1.3
251.09227	38.1
252.09473	2.1
283.06046	0.6
325.03220	0.8
329.10373	0.8
342.11478	0.7
355.08234	0.8
357.09760	1.3
358.10446	2.7
370.10596	0.7
372.12225	1.3
373.12878	5.2
375.11148	0.6
375.20142	1.1
385.12958	1.0
387.10934	0.7
402.09598	0.7
403.13937	2.1
416.10928	1.4
417.11917	1.3
418.12723	1.2
431.13260	2.6
432.14130	2.8
433.14984	16.0
434.15341	1.5
445.14981	1.2
455.15900	1.2
541.17975	0.7
551.15747	0.9
555.21198	0.6
581.20184	9.1
582.20276	1.2
611.21051	1.0
629.21869	100.0
629.36334	3.6
630.22229	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	629.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.4
57.03444	6.4
59.01095	1.5
59.01374	22.4
67.01859	1.6
68.99806	2.7
69.03446	5.1
70.37517	3.3
71.01382	12.6
72.99290	5.6
73.02930	1.8
78.95885	1.8
79.95739	5.7
80.96533	1.1
83.01369	4.9
83.71229	1.1
85.02948	21.8
87.00851	4.4
87.04498	2.5
89.02440	3.1
95.01379	1.2
95.95195	1.2
96.96005	34.2
97.02938	5.5
98.95586	2.0
99.00865	4.7
101.02445	3.1
109.02887	1.5
111.00891	5.5
113.02422	4.8
115.04007	3.1
115.09570	1.0
121.02964	1.5
122.03742	2.6
123.00877	1.7
125.09690	2.7
129.01950	16.5
141.01900	3.4
149.02399	7.0
150.03215	16.3
151.00362	13.3
151.03908	3.6
152.01109	1.8
159.02953	4.3
161.02481	1.4
164.04805	6.4
165.01865	1.4
165.05566	19.5
166.02705	35.3
179.07063	3.9
179.10675	2.1
180.04236	1.7
180.07651	1.2
181.05054	45.5
187.09744	1.8
188.21582	1.3
191.05608	17.9
195.06570	9.0
197.11815	21.4
198.12088	3.5
205.78027	1.1
206.08215	1.6
208.03857	1.6
209.06552	9.7
223.06064	4.2
226.41304	1.2
241.00108	2.6
241.10777	23.5
242.11006	3.2
243.16972	1.7
251.07686	13.7
256.99701	3.0
264.86914	1.2
285.03760	1.9
285.36908	1.3
294.21295	1.4
329.10370	1.3
387.16461	1.9
437.14514	27.6
467.15878	2.0
485.17557	1.6
498.41794	1.3
611.19958	2.8
629.20807	100.0
630.21094	14.6
631.18890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01374	67.9
61.98817	1.2
71.01379	5.3
71.21307	1.9
71.33602	0.8
72.99309	1.0
73.02962	1.2
74.88677	0.9
79.95740	2.0
80.96521	1.6
83.01360	1.5
85.02955	2.8
87.00877	2.3
88.98801	3.3
89.02442	1.4
93.03471	1.8
96.95992	10.4
99.00799	1.0
101.02449	2.1
108.02164	5.6
109.02934	3.2
111.00872	1.5
113.02483	1.5
121.02932	3.2
121.18560	0.9
122.03755	4.9
123.04513	3.1
129.01927	2.1
133.02968	1.3
133.05045	14.2
134.03749	1.8
136.01675	1.2
137.02412	1.0
144.07404	0.9
149.02408	25.4
150.03210	54.4
151.03891	2.6
152.01164	10.6
153.01891	3.2
154.04564	1.1
161.02402	6.4
162.02702	1.0
164.04762	7.4
165.05550	79.3
166.05898	2.8
167.03468	3.2
176.04706	4.5
179.03488	10.6
180.04248	4.5
181.04941	0.8
191.07132	2.6
193.04961	1.0
194.05817	13.4
195.06606	100.0
196.06934	3.9
209.08188	40.4
209.09674	0.8
210.08586	2.0
225.11249	2.3
241.00262	1.3
255.03046	0.9
256.99664	2.6
275.76935	0.9
342.10934	6.4
347.12982	0.9
357.13376	46.0
358.13754	4.1
387.14264	1.0
393.20618	0.9
405.15546	35.0
406.15759	2.7
417.20599	1.0
627.15247	15.3
627.28326	7.5
628.17188	8.6
628.27277	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2528
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
50.51379	0.5
59.01353	0.9
71.01380	1.5
71.51756	0.5
79.95732	79.6
80.96503	4.2
81.71594	0.5
84.20869	0.5
85.02938	0.7
86.54057	0.5
87.00866	1.6
94.98037	0.8
95.95231	1.6
96.96003	50.7
99.00874	1.2
101.02442	1.1
111.00876	2.7
113.02452	1.1
120.96010	1.0
124.27659	0.6
129.01932	1.9
138.97034	3.2
152.35728	0.6
189.94945	0.5
210.99109	1.0
238.98611	4.9
241.00204	8.2
256.99701	12.8
415.85785	0.6
461.18567	4.3
463.20053	27.1
464.20206	3.0
479.19556	1.2
625.25281	100.0
626.25568	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	625.3952
Annotation	castasterone-23-O-glucoside
Peak:m/z	Relative Intensity
55.23053	0.8
59.01377	51.2
60.46922	0.5
61.98816	1.3
69.54428	4.1
71.01376	7.5
72.99297	0.7
73.02950	1.7
85.02950	1.2
87.00848	0.9
89.02444	3.3
91.91098	0.6
95.01376	1.0
101.02441	5.0
102.54546	0.6
113.02435	2.8
119.03490	1.5
163.11296	8.0
207.10249	9.7
239.23782	0.8
255.23273	30.3
256.23767	1.3
269.24866	10.5
297.24289	1.2
313.23508	0.7
369.15491	3.3
387.16473	7.9
625.39514	100.0
626.39972	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	627.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54281	0.8
59.01371	2.8
62.90177	0.7
71.01380	5.9
72.99317	1.6
73.02948	2.4
76.10679	0.8
79.95727	4.8
80.96510	1.6
81.03452	0.9
83.01395	1.3
85.02940	2.3
87.00882	13.4
88.98856	0.9
96.96004	20.5
97.02970	1.0
98.19828	1.9
99.00865	2.5
100.01662	2.5
100.26600	0.8
101.02412	2.9
101.98974	0.8
109.02954	2.4
111.00865	7.5
112.98794	2.9
113.02449	1.1
121.02952	3.1
123.00890	4.2
126.75710	1.0
129.01892	1.1
130.02690	1.1
130.08711	3.6
131.03526	1.1
133.02995	1.7
135.00775	0.8
135.04536	1.5
137.02441	7.3
142.06039	0.8
142.99860	2.1
149.02356	1.7
150.03189	1.4
151.00356	2.4
151.03917	1.2
161.02441	6.7
163.04018	2.4
164.04764	3.5
165.01915	52.3
166.02667	6.6
172.09738	3.2
173.00896	5.7
174.01720	2.2
175.03989	2.3
176.04793	2.5
177.01962	1.0
178.06380	1.1
179.03473	12.8
179.07062	4.7
180.04262	36.1
181.05026	7.5
189.05455	1.0
191.03477	3.2
191.07124	2.1
193.05049	0.9
193.08672	1.2
194.05838	6.2
195.02965	2.3
195.06601	47.0
196.06934	1.8
203.03531	1.8
204.04114	0.8
205.05046	2.7
206.05789	3.4
207.06674	1.8
209.08234	4.8
210.05315	12.3
211.06041	1.3
217.05037	0.8
219.03006	1.3
219.06485	1.2
221.08148	4.2
225.07664	25.5
234.05269	1.9
237.07867	0.8
241.00241	5.0
246.04993	0.9
247.02477	1.7
249.04082	1.1
249.07680	1.5
261.03992	2.0
262.04813	4.4
264.06384	1.6
265.07114	3.3
271.02606	0.9
276.06360	2.2
277.07153	8.3
285.03659	1.2
295.08191	1.2
299.02032	1.8
337.09286	22.3
338.09482	2.2
357.25241	0.8
369.09616	1.0
399.14404	4.6
443.13339	2.7
473.14249	1.9
491.15564	14.4
492.15970	1.4
503.15472	1.9
521.16705	2.2
551.17389	2.0
563.17743	5.3
609.18176	11.5
610.18164	1.0
627.19312	100.0
628.19507	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	623.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63185	0.4
55.01881	1.4
57.03443	5.9
58.00588	0.8
59.01373	10.6
67.01885	1.1
68.99823	2.0
69.03446	4.6
69.03722	0.4
71.01378	17.2
71.62661	0.8
72.99308	5.0
73.02941	60.0
74.03287	0.7
75.73190	0.5
79.95749	0.7
83.01382	4.8
84.02179	0.6
85.02943	22.2
86.03304	0.8
87.00865	4.3
87.04502	2.5
89.02449	4.5
90.49621	0.5
93.03446	0.6
94.07136	0.5
95.01395	1.1
96.96011	5.8
97.02943	7.4
99.00860	4.9
101.02444	7.1
102.41955	0.5
109.01618	0.5
109.61492	0.5
111.00878	3.1
113.02451	6.2
115.03994	3.7
119.03527	1.4
119.05022	0.9
129.01935	12.9
134.03835	0.6
137.02473	0.9
137.06297	0.4
138.65114	0.4
141.01962	3.0
141.05595	0.6
153.01944	0.9
157.90800	0.5
158.06438	0.6
159.02980	2.3
161.04630	1.3
161.13368	0.5
161.37125	0.5
177.61494	0.5
191.05591	7.1
191.07103	0.6
193.04993	0.8
205.12357	0.7
209.06577	5.2
210.07111	1.3
211.07133	0.9
246.82690	0.5
248.07893	0.5
249.11288	0.7
250.11688	0.6
253.18175	2.3
265.09381	1.6
355.10294	0.7
431.22803	18.2
432.23422	1.6
441.17868	0.6
442.18069	1.1
443.18564	1.9
445.24698	1.6
519.31970	1.3
573.26050	2.0
623.29456	100.0
624.29736	13.5
624.39948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91463	0.1
54.84684	0.1
59.01370	0.5
61.98826	100.0
62.06004	0.1
62.43578	0.1
62.98526	0.1
62.99273	0.1
71.01391	0.3
71.62427	0.1
71.62822	0.1
75.00834	0.1
78.45773	0.1
79.95736	0.3
80.96510	0.1
85.02968	0.1
87.00881	0.2
95.95242	0.2
96.96000	0.7
120.01263	0.1
150.03242	0.1
151.04083	0.1
165.05594	0.1
175.04036	0.1
226.40001	0.1
256.99744	0.1
295.26575	0.1
351.98349	0.1
372.12491	0.4
372.63116	0.1
464.20377	0.1
530.09454	0.1
564.30383	0.1
624.23810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24284	0.5
55.01870	1.0
56.00306	0.4
57.03444	5.4
58.00592	1.3
59.01376	24.6
60.01702	0.6
61.01770	0.5
61.98814	1.1
66.24474	0.5
67.01881	1.1
68.99815	0.8
69.03458	3.7
71.01379	16.1
72.01713	1.1
72.99311	3.6
73.02940	1.9
83.01383	3.3
84.02151	0.9
85.02947	18.4
85.90154	0.4
86.03254	1.1
87.00867	6.2
87.04505	1.2
88.01218	0.5
89.02443	9.6
93.03442	2.0
95.01371	1.4
96.96023	2.6
97.02943	5.9
98.19798	0.7
99.00867	3.7
99.04510	6.7
101.02440	7.0
108.84499	0.4
111.00884	2.7
113.02455	5.1
115.03983	1.9
119.03516	2.2
129.01939	13.0
130.02272	1.2
135.04506	0.5
137.02434	4.7
141.01921	2.9
142.02251	0.6
159.03003	2.4
161.02382	0.7
161.13322	1.1
189.12886	2.5
190.84827	0.5
191.05571	4.3
205.12274	0.7
206.12627	0.9
207.13943	7.7
209.06653	19.9
210.06990	1.4
211.07076	1.4
251.12860	9.3
284.03140	1.8
299.02194	1.1
299.05615	2.4
312.12451	1.3
399.19940	0.7
401.16071	0.6
425.17816	0.6
431.18961	6.4
442.18024	0.8
443.19022	11.5
444.19650	1.0
519.31873	0.7
523.78473	0.5
573.21271	0.9
605.24854	0.7
623.25214	100.0
624.25598	12.4
634.97980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2388
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
54.56261	0.6
59.01379	0.7
71.01357	1.1
72.99310	1.1
74.50914	0.6
75.00867	2.5
79.95743	4.0
80.96506	1.3
82.34634	0.7
85.02961	0.9
90.93532	0.7
91.01900	1.0
96.96016	6.7
101.02365	0.7
108.02187	4.0
109.02948	8.5
111.00890	0.7
119.04987	0.8
123.04519	0.9
144.85152	0.6
146.03677	0.9
153.74048	0.6
158.03722	2.8
159.04504	7.6
164.07146	1.3
173.06062	4.4
175.03947	0.7
202.05096	3.6
214.05077	14.0
215.05563	1.0
216.06613	3.1
230.11226	1.0
237.05525	1.0
238.06375	1.0
238.98599	1.0
239.07127	1.5
240.04297	1.3
241.05002	0.8
249.05544	1.9
250.06265	1.6
251.07040	1.5
256.99719	2.9
263.07098	0.8
264.07883	0.8
265.05035	2.4
266.05896	5.2
267.06570	15.6
268.07272	6.1
280.07376	2.1
281.08228	9.4
282.08954	9.9
283.06448	1.4
283.09695	14.3
284.10123	0.8
294.07922	1.1
295.09705	1.4
297.11359	3.4
310.07236	1.1
311.07712	0.7
321.06445	1.2
321.09848	0.8
322.07144	7.5
322.10855	5.7
324.08237	0.7
326.10352	1.8
335.11737	0.9
336.08719	3.2
336.12427	11.5
337.12747	0.9
338.10458	1.0
350.13718	1.4
428.15701	1.0
429.12076	2.5
430.12891	4.5
431.13669	0.7
436.15768	5.6
436.65848	1.9
443.13626	4.4
444.14474	21.3
445.15192	7.7
446.16391	0.8
458.16043	6.0
460.17639	41.1
461.17880	4.2
483.12433	0.9
499.18579	0.9
623.23932	100.0
624.24158	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	623.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32641	0.6
62.99294	0.7
69.28708	2.5
69.29131	4.1
75.41821	0.6
88.63455	0.7
93.03490	0.7
96.96023	2.0
98.20564	1.6
104.46149	0.6
109.02957	1.5
114.42558	0.8
115.60654	0.8
119.05067	0.7
121.02946	5.9
130.08748	0.9
130.61174	0.6
138.43593	0.7
148.04102	1.5
149.04816	1.9
159.04527	1.1
185.06015	0.8
195.08202	1.1
197.06041	0.8
209.06102	0.9
211.07690	3.0
215.65599	0.7
220.05243	0.9
221.06108	2.0
222.06943	0.9
223.07634	2.0
225.05411	1.0
237.05550	2.0
238.06084	0.8
239.07167	6.6
249.05437	3.8
251.03409	1.9
251.07158	0.9
253.08719	1.1
263.07019	1.3
265.05026	3.2
265.08621	1.1
266.05780	1.9
267.06601	33.9
268.07196	6.2
269.08002	1.2
270.11420	2.5
279.06567	1.4
280.07397	2.8
281.08173	7.7
282.08957	31.5
283.09665	12.1
293.04529	2.4
295.09729	2.6
296.10504	14.7
297.11288	51.4
298.11639	3.0
308.06744	1.2
310.07297	1.6
311.07910	1.5
311.11319	0.7
322.08130	1.0
323.08301	1.8
324.08664	1.5
325.09561	0.8
326.10291	2.7
334.20901	0.9
338.10220	3.3
339.11026	1.0
352.08215	0.8
352.11838	3.3
402.13116	2.3
412.12152	1.2
430.12909	32.9
431.13132	3.1
444.14087	0.9
445.15240	18.3
446.15863	3.6
460.17627	100.0
461.17914	11.0
486.15598	5.9
623.23901	65.2
624.24042	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	623.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.8
58.00568	1.1
59.01377	27.4
61.49233	0.8
61.98822	1.0
62.39853	0.8
65.59960	0.8
67.01876	1.0
68.99807	1.3
69.03451	3.9
69.95998	4.1
70.27171	0.8
71.01378	16.7
72.99312	3.8
73.02928	1.1
83.01387	3.3
85.02945	15.8
87.00884	5.3
87.04481	1.2
89.02438	9.9
93.03445	2.4
95.01405	1.5
96.96007	3.6
97.02943	6.0
99.00876	2.1
99.04507	6.4
101.02427	5.6
109.02988	1.1
111.00855	2.3
111.89240	0.9
113.02430	4.9
115.04012	3.5
119.03507	1.5
129.01932	8.5
130.08641	1.0
135.04532	1.4
137.02422	4.6
141.01932	3.8
151.00430	1.4
153.01939	1.3
159.02966	1.1
161.02425	2.1
189.12907	2.2
191.05595	4.4
199.03969	1.5
207.13879	9.6
209.06668	14.4
227.03525	1.1
232.08247	1.0
243.02888	5.0
251.12877	12.3
255.02904	5.1
271.02472	15.1
272.02893	2.0
285.03989	1.4
299.01981	13.3
299.05270	1.7
300.02701	17.2
301.03040	1.6
314.04269	7.2
315.05048	23.7
316.05347	1.1
407.90933	1.0
431.18973	7.9
432.19348	1.2
443.19156	12.3
444.19437	1.3
485.13138	1.0
536.25580	1.0
543.29315	1.1
573.21661	1.3
623.16028	23.2
623.25531	100.0
624.16412	4.0
624.26019	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	623.237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45089	0.6
57.69302	0.6
59.01368	2.1
59.97631	0.6
61.62749	0.6
61.98821	1.2
71.01357	1.8
79.95734	84.5
80.96512	4.2
83.01358	0.9
85.02940	1.7
87.00856	2.1
95.95204	1.1
96.96005	54.3
97.02997	0.7
98.20673	2.0
100.12859	0.6
101.02444	1.6
111.00875	1.7
113.02421	1.2
113.21999	0.8
118.44217	0.7
129.01907	1.9
130.37756	0.7
138.97058	2.9
156.92024	0.7
159.04472	0.8
161.87143	0.8
238.98639	3.5
241.00208	6.8
256.99625	9.8
308.04926	0.7
460.17480	2.9
461.18588	3.3
463.19971	26.3
464.20392	1.4
623.23718	100.0
624.23859	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	623.239
Annotation	(+-)-Grossamide
Peak:m/z	Relative Intensity
54.67101	0.3
63.09845	0.2
71.62501	0.4
75.22585	0.3
87.69885	0.2
92.61787	0.3
93.03459	0.8
96.95994	0.9
108.02135	0.5
109.02901	1.4
109.76408	0.3
119.01464	0.4
119.05006	0.4
121.02953	7.4
128.34702	0.3
129.10219	0.3
134.03714	0.5
135.04501	1.1
136.07671	0.5
145.02933	0.8
146.03702	0.3
148.04042	2.1
149.04782	2.2
149.05894	0.4
151.14272	0.3
158.03731	0.3
159.04507	2.9
160.03990	0.3
160.05243	0.4
162.05589	0.5
167.08595	0.3
173.06061	0.3
174.03127	0.7
175.03938	0.3
176.03604	0.3
181.03815	0.7
183.08157	0.5
185.06070	0.7
186.32997	0.2
187.03918	0.3
188.03387	0.4
189.05591	0.6
190.05019	0.3
193.06560	0.9
195.04521	0.3
195.08192	0.9
196.05194	0.9
197.06084	1.3
202.05161	0.4
207.04492	0.3
209.06070	1.1
211.04039	0.3
211.07608	3.0
216.06570	0.3
218.04500	0.5
219.04639	0.5
220.05263	0.7
221.06065	2.8
222.06767	0.5
223.03946	0.4
223.07671	2.2
224.04742	0.9
225.05521	0.9
235.03877	0.3
235.07649	0.7
237.05522	2.8
238.06282	1.5
239.07114	8.9
240.04317	0.6
240.07539	0.6
248.04768	1.0
248.07137	0.3
249.05528	4.2
250.06323	1.4
251.03459	3.1
251.07050	0.8
252.04082	0.5
252.07829	0.6
253.05066	0.3
253.08662	1.9
263.07114	1.4
264.04214	0.5
264.07162	0.3
265.05026	3.2
265.08542	0.7
266.05820	2.3
267.06595	39.6
268.07300	6.5
269.07977	0.6
270.11392	3.0
277.05020	0.6
277.08527	0.4
278.08911	0.3
279.06598	2.2
280.07339	3.1
281.08139	9.5
282.08951	37.9
283.09677	14.5
284.09995	1.0
292.06491	0.4
293.04523	4.1
294.05203	1.2
294.07828	1.0
295.06314	0.6
295.09674	2.7
296.10516	16.2
297.11285	56.5
298.11588	3.9
307.06006	0.5
308.06754	1.5
309.07483	0.9
310.07245	2.8
310.10590	0.5
311.07880	1.5
320.09265	0.4
321.07712	0.4
322.07883	1.0
323.08133	2.5
324.08679	1.1
325.09540	0.6
326.10263	2.7
336.12546	0.3
338.10339	3.5
339.11072	0.6
339.75629	0.3
351.07260	0.5
352.08157	1.2
352.11877	3.1
364.08459	0.5
374.13611	0.3
379.12790	0.3
384.12350	0.6
402.13266	1.9
412.11749	0.8
430.12885	34.4
431.13217	4.1
443.13754	0.3
444.14508	1.0
445.15259	20.3
446.15787	3.7
460.17618	100.0
461.17966	10.8
471.13181	0.3
486.15549	5.9
487.15878	0.8
623.23914	70.2
624.24225	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	623.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94097	0.4
57.03429	0.7
59.01379	4.2
60.01693	0.4
65.00330	0.5
69.03432	0.6
71.01373	2.1
71.08282	0.9
73.02940	0.4
79.74691	0.4
81.74599	0.4
82.92073	0.4
83.01377	0.8
85.02940	2.1
86.03309	0.4
87.00868	0.8
88.98802	0.5
89.02443	1.3
93.03470	0.8
96.95988	0.7
97.02995	0.6
100.77249	0.4
101.02434	1.0
106.69685	0.4
107.01392	0.9
113.02476	0.7
119.03513	0.6
129.01913	1.3
135.04451	0.4
137.02469	2.3
137.03375	0.4
141.01947	0.4
145.02921	0.7
151.00349	5.0
155.05037	0.6
161.02480	0.5
161.13382	0.5
163.00288	0.8
171.04480	0.9
175.04050	0.5
183.04523	1.3
187.04115	0.5
199.03972	4.7
201.01921	1.1
203.03506	0.7
204.04250	0.6
205.12318	0.6
209.06657	2.5
210.07037	1.0
215.03465	2.1
226.02521	0.5
227.03513	5.1
242.02228	2.5
243.02951	23.4
244.03380	1.8
249.11328	0.9
254.02348	0.7
255.02969	12.1
256.03375	1.2
257.04617	3.5
259.06116	0.5
270.01541	3.2
270.04471	0.4
271.02438	34.5
272.02936	3.5
284.03354	0.6
285.04028	6.8
286.04733	2.0
287.05515	1.5
293.25018	0.4
299.01941	53.7
300.02640	18.8
301.03229	1.3
313.03369	0.6
314.04297	48.1
315.05026	35.6
316.05420	2.1
357.05972	0.7
431.18387	0.7
442.18286	1.0
443.18033	1.3
492.56989	0.5
514.41809	0.5
622.24463	2.4
623.16022	100.0
623.24756	8.3
624.16406	13.0
624.25220	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	11.3
59.01366	2.0
60.68470	0.5
61.98817	0.8
69.48405	1.1
69.48801	3.9
70.02977	4.6
71.01385	2.4
72.00905	2.8
72.99289	0.8
73.18576	0.5
75.00874	2.2
79.95731	0.9
85.02943	2.4
87.00888	0.8
89.02440	0.9
91.05511	2.9
95.01402	0.8
96.96005	2.6
98.19905	1.1
99.00874	0.9
101.02437	0.7
113.02446	2.2
119.05043	0.5
121.02946	9.7
122.03208	0.5
122.25021	0.5
135.04535	0.7
147.03352	1.1
147.04514	22.4
162.09283	0.6
164.07146	55.5
165.07468	2.0
183.34155	0.5
206.08195	100.0
207.08505	5.6
231.05106	1.1
249.06116	5.5
299.02042	0.6
315.04849	0.6
371.09802	16.1
372.09827	0.9
430.86365	0.6
494.99744	0.6
605.13696	0.8
622.15540	2.1
623.16425	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	623.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03440	1.6
59.01375	9.6
61.98844	1.0
62.29361	0.4
65.03963	0.6
68.99813	0.6
69.03444	1.4
71.01382	8.7
71.63494	0.5
72.01713	0.5
72.99302	1.7
73.02939	1.8
74.99097	1.2
75.00871	0.8
79.95718	0.4
83.01395	0.9
85.02940	7.6
86.03297	0.5
87.00874	2.5
87.04507	0.6
89.02439	3.9
89.44423	0.4
93.03452	52.1
94.03796	1.7
95.01367	0.8
96.96024	2.6
97.02926	2.1
98.16963	0.4
99.00897	2.4
99.04507	0.6
101.02447	3.4
107.05018	0.5
111.00862	0.9
113.02438	5.1
114.02754	0.5
115.03999	0.6
119.03494	1.1
120.99615	0.9
121.02989	0.4
123.27673	0.4
129.01939	3.3
132.02197	0.7
133.02945	13.6
134.03648	1.3
135.04515	12.1
136.04834	0.5
136.99106	1.3
137.02435	100.0
138.02795	3.0
141.01918	0.8
143.03410	0.5
149.06113	0.5
159.02989	0.8
161.02431	39.9
161.04591	1.1
161.86670	0.4
162.02760	1.6
175.03932	0.9
177.05589	0.9
179.03488	8.6
180.04054	0.6
191.05638	1.1
193.04803	0.4
203.03424	0.7
205.12346	0.7
207.13947	0.6
209.06647	5.1
216.97260	0.4
220.03828	1.1
221.04617	2.1
251.12793	1.3
251.16202	0.5
263.05627	0.9
267.07315	0.9
271.02539	0.6
299.02063	0.9
299.05463	0.8
300.02661	1.0
305.06735	0.5
314.04236	1.0
315.05130	1.7
323.07828	0.5
401.12314	0.8
429.21622	0.6
430.21536	1.3
431.19312	1.7
443.18100	0.6
461.12839	6.2
462.13321	0.7
467.12030	0.6
485.12973	50.8
486.13275	4.8
519.31616	0.6
528.39612	0.4
622.27991	7.2
623.16248	9.1
623.26904	16.3
624.16724	1.0
624.26392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70358	0.4
54.78089	0.5
55.01880	1.9
57.03443	9.5
58.00594	1.6
59.01374	30.8
60.01701	0.7
66.62176	0.4
67.01895	2.2
68.99815	2.7
71.01376	24.1
72.99305	7.1
73.02932	2.5
83.01377	5.6
84.02167	1.2
85.02943	33.0
86.00090	0.6
86.03312	0.6
87.00865	10.3
87.04507	2.5
89.02437	15.5
90.02791	0.6
95.01405	1.5
96.96016	2.7
97.02942	11.3
97.06590	0.5
99.00869	7.0
99.01423	0.6
99.04511	29.5
100.04884	0.6
101.02438	9.9
101.03068	0.7
101.10911	0.4
102.02805	0.5
111.00874	4.0
111.56432	0.5
113.02441	8.3
115.03999	4.9
116.99924	0.5
119.03500	4.2
123.04507	0.8
123.08180	0.5
129.01932	19.4
135.04549	1.3
136.01706	0.5
139.07729	0.7
141.01910	4.4
143.03534	0.6
147.04575	1.0
159.03029	3.6
161.04588	0.7
161.13345	6.0
165.05779	0.5
167.07222	0.5
173.04642	0.6
179.05695	1.8
187.11331	1.3
191.05612	9.1
191.07320	0.6
205.12332	7.3
206.12781	0.6
209.06638	24.0
210.07022	0.7
229.12279	0.5
232.08121	0.5
249.11282	6.3
265.99777	0.5
267.06995	0.7
291.10931	3.2
353.06760	0.7
397.18591	2.4
423.17087	0.7
429.17618	3.6
429.22729	3.3
441.08386	0.5
441.17563	10.9
442.18185	1.3
443.23001	1.7
531.20593	0.5
561.28510	1.3
571.24170	2.8
579.29382	0.7
621.26953	100.0
621.74402	0.9
622.27490	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	621.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03446	6.0
58.00590	1.1
59.01375	23.7
62.01201	0.7
67.01874	1.2
68.99825	1.8
69.02634	0.8
69.02992	3.1
69.03441	13.0
71.01378	19.4
71.02007	1.6
71.93143	0.7
72.99305	4.8
73.02955	2.7
76.11293	0.7
79.95742	2.4
83.01375	5.0
84.02193	1.1
85.02945	30.5
87.00869	6.8
87.04537	2.3
89.02452	9.7
95.01392	1.7
96.95983	4.6
97.02943	7.0
99.00867	5.9
99.04524	0.9
101.02423	7.7
111.00896	3.0
112.26599	0.7
113.02439	18.6
115.04011	3.4
119.03503	3.2
123.23267	0.7
129.01933	14.7
129.02814	1.2
131.03436	1.0
133.07498	0.7
135.04486	1.1
137.02473	0.9
141.01949	3.0
143.03395	0.8
146.02274	1.0
159.03009	3.2
161.04553	0.9
161.13391	2.9
173.76732	0.7
179.05611	1.6
185.38594	1.1
187.11357	1.0
191.05554	6.6
191.57869	0.7
205.12282	7.6
207.17711	1.3
209.06639	16.9
209.08556	0.9
210.06990	0.8
230.08105	0.8
249.11308	6.2
251.16547	4.2
262.11066	0.9
397.18692	1.0
411.20358	1.0
429.21915	14.2
441.12549	1.5
441.17911	6.6
443.22995	2.6
561.29376	1.7
571.23962	2.2
579.30499	1.3
621.27686	100.0
622.27954	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	621.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51830	0.5
55.01860	1.0
57.03442	7.2
58.00573	1.2
59.01375	26.1
62.45954	0.6
68.99796	1.7
69.81210	3.3
71.01379	17.8
72.99300	2.8
73.02950	1.1
75.52568	0.5
80.18069	0.5
83.01365	3.3
84.02164	0.8
85.02944	20.0
86.88299	0.5
87.00860	8.5
87.04499	1.8
87.29203	0.7
87.29749	0.5
89.02440	11.2
95.01401	0.7
96.00893	0.6
97.02946	5.5
98.19827	0.6
99.00872	3.7
99.04492	1.2
101.02454	5.5
111.00848	2.9
111.04518	0.8
113.02440	4.6
115.03984	2.2
119.03486	3.1
129.01939	15.5
135.04491	1.3
141.01936	3.5
159.03024	3.5
161.13347	5.0
170.80327	0.6
179.05554	1.0
187.11241	2.5
191.05582	5.1
205.12302	12.7
209.06636	31.8
242.74127	0.6
249.11279	7.8
258.04593	0.6
304.35590	0.6
321.80905	0.6
397.18613	1.5
423.17203	0.8
429.17621	4.7
437.88556	0.6
441.17566	17.8
442.17923	2.4
512.57642	0.7
523.07959	0.6
571.20764	0.8
596.33551	1.0
603.23022	0.7
621.23932	100.0
622.24225	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	621.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88408	0.3
54.13549	0.3
55.01870	0.7
55.58532	0.3
57.03448	3.1
58.00553	0.4
59.01376	9.2
67.01887	0.5
68.99834	0.5
69.52603	2.2
71.01377	11.1
71.39215	0.3
72.93488	0.3
72.99303	4.6
73.02945	1.9
75.00870	11.6
79.95744	0.4
83.01386	1.0
83.05035	2.5
84.02185	0.6
85.02427	0.8
85.02945	15.2
87.00864	4.2
89.02443	3.4
92.11923	0.4
93.03470	0.5
95.01382	3.2
96.96004	2.9
99.00873	7.1
99.04525	2.0
101.02441	0.9
103.00365	1.8
111.00882	0.6
111.08166	0.8
113.02435	15.4
113.06085	0.5
115.00387	1.4
117.01916	2.1
119.03479	0.5
121.02947	50.2
122.03323	1.1
129.01945	1.0
135.11792	1.2
141.00279	0.3
157.01344	0.6
175.02489	2.3
179.10738	1.6
193.03542	2.4
207.10252	0.4
231.05055	0.5
249.06128	0.8
249.14804	0.4
267.15945	1.7
353.08643	2.0
357.62109	0.3
371.09747	8.8
372.09842	0.4
387.85101	0.4
453.13913	3.4
489.17517	0.4
499.21866	0.7
603.24634	2.1
621.25439	100.0
622.25732	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	621.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.26737	0.4
57.03442	2.4
57.84866	0.4
59.01376	10.9
61.98846	0.5
67.01871	0.7
68.89395	0.4
68.99814	0.4
71.01384	10.2
71.21862	0.6
72.99299	4.7
73.02944	1.5
75.00871	11.8
80.27364	0.4
83.01385	0.6
85.02946	14.0
87.00874	4.6
89.02454	2.4
95.01398	3.2
96.96008	1.2
99.00865	6.3
101.02443	1.1
103.00378	1.5
111.00883	0.4
113.02444	16.0
115.00355	1.5
117.01924	2.0
121.02950	45.5
122.03293	1.0
129.01927	0.7
131.03476	0.5
135.11798	0.5
153.09190	0.9
157.01422	0.5
175.02486	2.5
179.10768	3.7
193.03462	2.6
249.06049	0.8
249.23331	0.4
267.15970	4.4
303.03922	0.4
315.95013	0.4
353.08731	2.2
371.09799	5.7
499.21649	1.6
561.23395	0.5
603.24402	1.4
621.25452	100.0
622.25781	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	621.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03444	6.1
58.00576	1.4
59.01376	23.0
66.05392	0.7
68.99796	1.9
70.91004	1.7
71.01377	14.4
72.99300	3.9
73.02937	0.9
83.01375	2.5
85.02946	21.4
87.00870	7.5
87.04493	1.3
89.02436	10.5
95.01414	1.0
96.95942	0.6
97.02943	5.3
99.00884	4.2
99.04515	0.8
101.02441	4.1
111.00867	3.3
113.02428	4.0
115.03983	2.3
119.03498	2.1
129.01932	12.4
129.67123	0.7
141.01904	2.6
159.02983	3.4
161.13342	5.8
168.80371	0.8
179.05582	1.6
187.11267	2.0
191.05585	4.4
201.34927	0.6
205.12280	6.7
209.04657	1.6
209.06636	31.6
210.07079	0.6
249.11191	3.4
260.31442	0.6
311.95694	0.7
391.63550	0.7
397.18732	3.2
400.26514	0.7
429.17300	3.4
441.17709	9.2
444.20200	0.8
621.23895	100.0
622.24243	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	621.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
56.86254	0.4
57.03426	0.5
59.01375	100.0
60.01715	0.8
61.98842	0.8
69.03419	0.7
69.42139	0.5
69.42539	2.8
71.01377	3.2
71.37998	0.4
72.99309	0.7
73.02940	0.4
79.95733	0.8
81.06746	0.4
83.01389	0.9
84.24780	0.4
85.02949	2.0
87.00884	0.5
89.02438	1.2
95.01390	0.6
95.21644	0.4
96.96004	9.7
96.96578	0.7
97.02946	0.9
98.95571	0.5
99.00880	0.7
101.02446	2.0
107.29892	0.4
113.02432	2.0
119.03493	0.6
120.99644	0.9
129.01949	0.9
134.03738	0.7
135.04506	0.5
137.02437	0.4
145.02930	1.4
154.98488	0.5
161.04491	0.6
179.51939	0.4
191.05470	0.5
207.08130	0.6
209.06631	1.0
221.06017	0.5
235.07629	1.2
237.09357	0.5
239.07188	0.6
245.05879	0.5
253.08633	1.3
263.07101	2.7
265.08636	0.7
267.06741	0.4
268.11029	0.5
275.07117	0.7
276.07648	0.5
281.08197	7.2
282.08466	0.6
291.06573	2.1
292.07440	1.0
293.08109	2.2
294.08926	1.2
296.10510	1.7
297.03955	0.8
307.09497	0.7
308.10596	1.8
309.07666	31.8
309.10907	1.1
310.07919	2.7
313.03400	0.9
323.09222	6.3
324.06100	1.0
324.09970	20.4
325.10370	1.4
339.12335	79.8
340.12711	5.9
387.20233	0.6
429.21317	2.1
486.15454	0.6
497.42426	0.4
508.85385	0.4
517.26160	1.1
518.99951	0.4
535.27380	1.4
577.24622	1.0
621.27356	4.5
622.27533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03429	3.6
59.01374	17.5
59.86594	0.9
68.99785	1.1
71.01374	11.1
72.99285	1.9
73.02924	1.9
83.01370	1.6
85.02950	12.9
87.00862	4.1
89.02435	5.8
95.01373	1.3
96.96001	3.0
97.02941	3.0
99.00871	2.9
99.04478	1.3
101.02429	4.5
109.02935	2.1
111.00872	2.3
113.02431	3.2
115.03954	1.1
119.03442	1.7
123.00867	1.2
124.01573	1.0
129.01920	9.1
135.04558	2.0
136.01656	1.4
137.02409	8.2
141.01936	1.9
149.02429	1.5
151.00356	17.8
151.03943	3.0
152.01178	1.6
152.04776	1.9
159.02988	2.0
161.13332	2.5
166.02695	55.5
167.03319	1.9
177.01900	3.1
181.05055	67.3
182.05345	3.0
187.11186	2.3
190.06403	1.2
191.05579	2.0
192.04175	1.3
193.04977	1.2
205.04985	1.6
205.12262	6.9
207.06555	1.2
209.06651	16.6
249.11238	3.7
359.11481	1.4
360.09854	3.0
360.59927	1.3
387.10849	14.6
388.11490	1.6
397.18701	1.1
402.13034	6.9
403.13504	1.3
417.15524	100.0
418.15848	10.4
429.17499	3.7
441.17429	12.5
511.60272	1.2
561.29169	1.2
579.29211	1.1
621.23932	47.7
622.24506	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	621.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68486	0.6
59.01365	1.4
60.28346	0.5
62.56483	0.4
66.53912	0.5
69.51334	1.7
69.51763	2.5
71.01381	3.6
79.95729	35.3
80.96510	1.6
85.02965	1.0
85.60947	0.5
87.00838	0.7
95.94572	0.6
95.95225	41.4
96.96001	65.8
98.95592	0.9
101.02446	0.8
104.35664	0.6
110.97575	5.7
113.02373	0.6
119.03487	0.8
122.03737	0.5
122.97588	1.0
135.04514	0.5
138.97075	6.3
149.02513	0.8
150.03198	0.8
150.97058	9.9
151.97859	6.1
152.01134	3.0
164.98593	0.8
165.05579	1.1
167.03519	4.2
168.98114	1.3
177.03969	0.5
183.46393	0.5
195.06462	0.6
198.99158	5.4
213.00703	1.2
222.99133	2.6
225.00696	1.0
241.00215	13.2
256.99646	0.7
259.01248	10.2
395.06564	1.7
409.04431	8.2
423.05936	1.7
424.06671	5.3
437.07483	2.1
621.14838	100.0
622.15125	12.2
630.20392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85067	1.0
59.01378	5.1
61.73675	0.9
61.98801	1.4
66.84984	0.8
69.85291	0.9
71.01379	7.0
71.63109	2.0
79.21918	0.9
79.95732	33.9
80.96479	1.0
81.14458	0.9
85.02917	3.7
87.00849	1.6
88.98800	1.2
89.02396	2.7
95.95226	39.8
96.96002	69.2
98.95540	2.0
101.02391	3.0
109.02975	1.1
110.97536	5.0
113.02432	2.0
122.97520	1.2
133.02945	1.5
135.04431	3.4
136.01543	1.3
137.02391	1.9
138.97072	7.3
150.79082	0.9
150.97043	10.1
151.97849	6.2
152.01096	2.3
161.02406	6.3
162.02724	1.2
163.03793	1.0
165.05502	1.7
167.03477	4.8
175.03951	1.1
176.98671	1.3
181.04950	2.3
195.06627	1.2
198.99159	5.1
219.06494	1.4
222.99103	3.3
225.00601	1.4
241.00212	14.8
247.05919	1.3
255.02927	2.0
256.99619	2.0
259.01248	11.0
275.05472	2.6
283.02444	1.2
285.04041	1.1
293.71103	0.9
299.01913	1.8
305.06256	1.2
409.04471	8.1
417.15613	1.5
423.05661	1.2
424.06735	5.8
437.07269	3.0
537.19403	2.1
585.21490	3.3
621.14594	100.0
622.14990	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	619.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
56.72859	1.0
57.03444	2.2
58.00583	5.0
59.01373	94.2
65.65049	1.1
69.91566	1.2
70.00802	4.2
71.01374	63.8
72.99302	4.8
73.02950	5.3
83.01369	2.4
85.02945	13.8
87.00860	3.8
88.98802	1.1
89.02437	100.0
95.01378	5.0
96.95999	9.5
99.00854	1.1
101.02435	35.2
111.86627	1.1
113.02440	27.0
119.03490	38.3
123.00874	1.1
130.08707	1.1
131.03500	3.9
133.02902	1.2
135.04543	2.4
138.03256	3.4
138.63696	1.1
140.20967	1.1
143.03487	9.3
149.04544	4.9
153.05568	2.8
161.02415	3.7
161.04527	17.4
177.01900	1.7
179.05592	83.8
180.05917	1.6
194.05746	2.3
209.06599	1.6
209.08180	12.3
221.06540	1.4
255.02937	1.2
283.02386	1.4
284.03317	1.3
301.41257	1.1
336.41946	1.1
443.60831	1.1
458.11417	2.9
539.14081	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	619.2556
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.92146	0.5
71.63026	1.0
78.95908	2.3
152.99608	0.7
181.13762	0.6
181.89729	0.6
264.27493	0.7
278.92767	0.6
319.94498	0.6
401.14029	2.0
415.15701	3.7
416.16406	13.2
417.16827	1.5
429.16840	1.3
430.17886	2.6
431.18579	1.4
434.17444	1.0
444.16040	1.0
459.18222	100.0
460.18671	12.4
460.25076	0.5
473.19846	15.9
474.20599	5.3
485.16278	1.4
487.17459	0.9
501.19400	1.2
503.17340	2.5
504.17719	0.8
517.18964	2.3
518.19543	46.7
519.19781	5.2
532.21057	8.8
533.21881	91.8
534.22205	12.5
543.20532	1.1
544.21857	0.8
548.63538	0.7
587.22797	7.1
588.23340	1.0
619.25537	90.4
620.25885	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	619.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.4
57.03439	1.9
59.01376	11.9
61.68615	0.5
68.99801	0.6
69.03450	1.0
69.43994	2.9
69.44396	0.8
71.01376	15.5
72.28926	0.5
72.99305	4.5
73.02944	1.5
75.00871	12.3
75.01286	1.0
83.01371	0.9
85.02946	18.8
86.03298	0.5
87.00876	5.8
89.02443	4.8
89.03965	1.3
91.04013	0.9
95.01379	3.9
96.96007	4.8
99.00876	9.9
101.02446	1.7
103.00360	2.1
111.00878	0.9
113.02443	21.9
114.02797	0.7
115.00361	1.7
117.01939	2.4
117.03461	5.3
127.17518	0.6
129.01936	2.2
131.03465	0.6
132.02150	3.6
133.02957	5.9
134.03732	66.5
135.04613	3.3
137.02423	1.1
149.06070	5.0
157.01355	1.0
160.01651	16.9
161.02461	4.2
175.02487	1.8
175.03966	16.6
177.01810	1.1
178.02667	0.9
179.03499	2.3
193.05045	37.9
194.05380	1.2
203.05080	0.5
207.05075	2.0
231.05087	1.1
234.05251	0.8
249.06096	11.6
253.07104	1.0
267.07147	43.5
268.07632	1.8
276.06335	1.5
291.08627	0.9
304.96661	0.5
343.76114	0.5
366.09341	1.6
381.11810	4.8
382.12381	0.6
425.10919	7.1
443.11893	100.0
444.12320	8.5
575.31036	1.0
619.16595	48.0
620.16797	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	619.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03475	2.2
58.00621	0.5
59.01378	13.8
61.50299	0.5
61.98866	1.4
62.03354	0.5
67.01912	0.7
68.99835	0.9
69.03493	1.1
71.01379	16.1
71.63081	0.6
71.89449	0.5
72.99297	4.9
73.03003	1.6
73.46809	0.5
75.00864	12.7
78.06783	0.5
78.95940	0.6
79.95792	1.7
81.43774	0.5
83.01422	0.8
85.02948	15.8
87.00864	6.7
89.02451	5.0
89.03989	1.1
95.01366	4.4
96.95998	9.6
97.02979	0.9
98.95631	0.6
99.00870	11.0
99.04547	0.7
99.16013	0.5
101.02493	2.0
101.06122	1.6
102.65058	0.5
103.00436	2.0
105.03460	0.5
111.00907	1.2
113.02439	24.8
115.00441	1.4
117.01917	2.6
117.03473	4.9
129.01987	1.9
131.03539	0.8
132.02161	3.5
133.02960	4.9
134.03729	60.5
135.04539	2.0
137.02432	1.0
149.06055	6.3
150.03253	1.1
157.01482	1.2
160.01656	14.3
161.02411	4.1
161.04584	0.7
165.05595	0.9
175.02542	3.0
175.03952	17.7
176.04350	0.9
177.01953	1.6
178.02643	1.0
179.03558	2.0
192.39667	0.6
193.03499	1.5
193.05037	36.5
194.05464	1.7
207.05051	1.4
231.05096	1.2
241.00269	0.9
249.06100	11.5
253.07117	0.8
267.07135	39.7
268.07532	1.2
273.11728	0.6
276.06442	1.4
291.08762	0.8
366.09647	1.8
367.10242	0.7
380.12460	0.5
381.11819	4.1
424.32373	0.5
425.10919	6.7
426.11206	0.6
443.11890	100.0
444.12253	9.6
540.10327	0.5
575.30829	1.0
619.16498	46.2
619.28784	4.6
619.69482	0.5
620.16833	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	618.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01371	1.5
61.98826	4.3
66.12895	0.3
68.99805	0.6
69.03448	2.1
69.36715	0.6
69.37125	2.0
71.01366	2.3
71.79079	0.3
72.99299	1.6
79.95739	0.4
83.01395	0.7
83.26903	0.3
83.59362	0.3
85.02943	4.7
87.00867	1.4
87.04510	0.8
96.90887	0.3
96.95998	2.8
97.02937	3.9
99.00882	1.1
102.05603	5.9
111.00898	0.7
113.02428	0.9
115.03986	1.2
123.04512	1.6
128.03525	1.0
129.01947	3.4
130.08731	1.9
133.02950	1.5
134.03731	1.0
135.04510	100.0
136.04829	3.3
141.01917	2.1
148.05304	0.3
153.05510	1.8
159.02917	0.5
161.02429	12.1
172.09781	1.6
173.04491	0.4
177.01883	0.9
179.03471	0.5
191.05667	1.7
209.06679	2.2
246.07681	3.3
264.08737	15.1
265.09125	1.0
294.11951	2.9
306.09708	0.9
323.07684	0.6
357.12149	0.5
406.11374	2.9
408.12830	0.7
426.14005	5.8
427.14651	0.5
438.14297	0.4
442.31403	0.3
450.30014	0.3
456.15121	5.7
457.15927	0.4
544.58417	0.4
568.16809	1.8
618.20392	40.0
619.20947	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	618.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01377	0.8
61.98816	0.4
68.99786	0.3
69.03451	2.3
69.75672	1.7
71.01379	2.1
72.99305	1.2
73.02911	0.4
83.01368	0.6
84.58878	0.3
85.02944	4.3
87.00876	1.2
87.04483	0.4
91.88686	0.3
95.01395	0.3
96.95999	1.4
97.02943	3.9
98.20647	0.3
99.00896	1.1
102.05606	4.6
102.61121	0.3
111.00909	0.6
113.02464	0.8
113.82774	0.3
115.04022	0.6
128.03505	0.9
129.01927	3.3
133.02971	1.0
134.03697	0.9
135.04514	100.0
136.04842	3.1
141.01947	1.8
159.02931	0.5
161.02426	9.3
161.03720	0.6
162.02798	0.3
191.05589	1.4
209.06580	1.5
223.31776	0.3
246.07680	4.3
264.08728	21.0
265.09045	1.3
294.11914	2.5
306.09772	0.9
406.11404	3.1
407.11316	0.4
426.13962	4.3
438.14270	1.9
456.15067	9.0
457.15280	0.7
568.16821	0.9
618.20313	40.2
619.20544	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21941	0.6
55.03912	0.6
59.01374	3.1
61.67886	0.7
61.98822	9.0
71.01386	3.1
72.99294	0.8
78.95924	0.7
79.95722	3.9
80.96488	1.4
85.02917	1.4
87.04481	1.1
89.02425	1.5
93.03471	4.1
96.96006	33.8
98.19804	1.1
98.95586	1.8
99.00883	0.8
101.02427	1.4
113.02397	0.9
119.03513	0.7
121.02962	4.3
122.03744	14.0
133.02965	1.0
134.03735	1.9
135.04517	1.1
136.01640	1.1
137.02446	6.5
138.97025	1.7
149.02429	20.7
149.06087	1.0
150.03220	97.1
151.03601	2.1
161.02393	1.7
162.02364	1.2
163.04062	0.7
164.04805	4.6
165.05556	100.0
166.05913	4.0
178.02521	0.7
180.04285	6.0
193.05080	1.7
195.06610	69.4
196.06946	3.0
198.99176	1.2
206.05949	1.0
207.06674	1.0
209.06487	0.8
210.05255	1.0
213.05461	0.6
225.05576	0.7
226.06319	1.5
229.72578	0.7
241.00192	3.2
254.05827	1.7
255.02979	1.4
265.04929	1.0
269.04550	1.1
269.08160	1.3
270.05457	3.1
270.08008	0.6
281.04471	0.9
282.05313	1.5
283.05820	1.0
285.07684	0.8
293.04538	1.1
294.05368	1.7
295.05942	0.9
296.06854	0.8
297.07794	1.7
298.04871	1.4
308.06857	1.7
309.07608	3.7
310.04889	2.2
310.08456	2.4
310.11621	0.6
313.07126	7.9
323.09030	0.7
324.10007	1.5
325.07129	10.0
325.10635	1.0
327.08829	1.2
328.09476	12.3
329.10007	1.0
340.09448	8.9
340.12729	0.7
343.08023	0.6
343.11813	13.9
344.12247	1.4
355.11896	13.0
356.12546	0.9
367.10281	1.0
373.13077	2.7
391.13937	27.2
392.14420	1.9
403.13950	33.2
404.14487	2.9
476.14993	2.6
491.17151	4.6
492.17477	0.8
497.13190	0.7
522.45752	0.7
539.19458	2.4
569.19867	4.6
617.28906	37.9
618.29681	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	617.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.3
61.98806	3.0
69.55981	1.6
69.56389	5.1
71.01378	4.7
72.99284	1.3
75.00819	1.0
79.95269	1.6
79.95729	29.8
80.96525	2.3
82.60297	0.9
85.02906	1.5
86.64702	1.0
87.00866	1.7
89.02399	2.7
95.95224	38.0
96.96003	97.8
98.19924	1.8
98.95563	1.7
101.02399	3.4
103.55506	1.1
108.02129	1.4
110.97588	6.0
113.02383	1.2
119.03471	1.7
122.97471	1.1
135.04468	2.0
136.01605	1.4
138.97028	5.1
147.04482	1.3
149.02388	2.2
150.03221	7.5
150.97049	8.2
151.97787	4.0
160.01711	0.9
163.03964	1.3
165.01894	1.2
165.05518	8.0
177.03975	2.1
179.07043	1.1
180.04091	1.3
181.05013	2.4
191.03452	2.4
193.93854	0.9
195.06630	6.0
198.99132	2.6
209.06665	1.7
222.99083	3.6
225.07469	1.4
225.11266	2.3
240.97945	1.2
241.00204	11.9
256.99731	1.6
259.01105	1.2
316.97495	1.0
340.09482	1.2
343.11685	2.0
355.11536	1.3
377.21689	1.0
385.11130	1.1
391.13898	1.8
403.13757	1.6
403.59375	1.1
421.07904	3.2
433.07846	1.0
491.17068	2.5
537.21838	3.2
539.18701	1.3
616.22998	1.9
617.15143	100.0
617.22992	5.4
618.15320	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	617.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29582	1.0
57.78281	0.8
59.01378	2.7
67.52717	0.9
69.49406	4.5
69.49820	2.4
71.01389	2.7
79.95734	3.3
89.02428	1.5
93.03471	3.2
96.95998	21.8
98.79434	1.1
121.02982	4.5
122.03726	12.0
123.04485	1.4
133.02974	1.9
134.03654	1.1
135.04523	1.9
136.01622	2.2
137.02429	1.4
137.43445	0.9
137.68849	1.1
138.97075	2.3
149.01242	1.7
149.02417	18.9
150.03215	100.0
151.03609	3.1
161.02454	1.5
163.04036	1.8
164.04816	5.0
165.05553	93.4
166.05876	2.6
174.17886	1.1
180.04240	7.0
195.06610	54.0
196.06984	1.7
225.05426	1.3
226.06233	1.7
237.05559	1.6
241.00160	1.4
241.05038	1.3
252.04198	1.2
254.05757	2.3
255.02783	2.1
256.99585	1.2
265.04977	1.6
267.06439	1.4
269.04678	2.2
269.07993	2.4
270.05292	3.6
281.04547	1.9
282.05313	2.9
284.07288	1.1
285.07672	2.1
293.04562	1.2
294.05359	2.9
295.06061	2.3
297.07245	1.3
298.04843	2.1
299.09290	1.4
308.06848	1.4
309.07523	4.9
310.04736	2.5
310.08258	2.0
311.05530	1.0
311.09103	2.5
313.07162	12.3
313.10684	0.9
314.07654	1.5
324.09921	2.3
325.07190	12.8
326.07791	1.5
327.08667	2.5
328.09451	17.1
329.09888	2.8
340.09473	13.7
341.09738	1.2
343.07697	1.4
343.11792	22.9
344.12213	1.8
355.07935	1.3
355.11902	16.7
356.12119	1.6
373.12769	2.5
391.13962	34.0
392.14209	3.6
403.13928	43.7
404.14273	4.3
448.14450	1.3
476.14764	16.3
477.14951	1.9
479.19418	2.4
491.17044	54.3
492.17621	7.5
495.76636	1.0
521.18188	3.2
539.19257	13.3
540.19781	2.4
547.27051	1.0
551.19037	2.6
569.20038	21.8
570.20190	3.0
617.21350	14.1
617.28680	17.4
618.21252	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	617.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44887	0.4
56.95547	0.4
59.01368	1.9
61.98822	1.4
70.39913	0.4
71.01384	3.9
79.95734	29.8
80.96512	2.3
85.02917	0.8
87.00853	0.7
89.02435	0.7
93.03439	1.8
95.94581	0.9
95.95226	41.7
96.96003	81.8
99.31506	0.4
101.02427	0.8
108.02164	0.5
110.97575	6.3
113.02434	0.6
122.97517	0.9
127.05115	0.6
136.01610	0.7
138.97073	5.3
146.03709	1.2
149.02405	1.3
150.03217	5.4
150.97049	7.7
151.04024	1.0
151.97829	5.7
152.98630	0.5
162.03200	1.2
163.03966	0.6
164.04747	1.2
165.05554	5.4
168.98174	0.6
176.98610	1.0
177.04002	1.7
177.05502	1.0
179.07088	1.1
180.04349	0.6
180.98114	0.9
181.05022	1.1
194.99678	0.8
195.06548	2.4
198.99139	2.1
213.00777	0.9
221.74939	0.5
222.99170	2.4
225.00726	1.4
241.00215	8.7
256.97290	0.4
256.99518	2.5
257.76306	0.5
259.01273	2.0
275.10394	1.0
307.19360	0.5
328.09329	0.7
343.11783	1.0
355.11688	0.7
391.14029	1.8
395.79227	0.5
403.13968	2.1
421.08063	3.1
437.07565	1.4
452.90393	0.5
491.16763	1.7
521.17670	0.5
537.21771	0.7
569.20068	0.9
617.15350	100.0
618.15686	11.6
642.08411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98804	0.2
67.77416	0.1
70.94723	0.2
78.21377	0.1
78.95898	1.9
79.95731	2.6
82.47302	0.1
87.07594	0.1
88.35766	0.1
91.95132	0.1
96.96002	100.0
96.96880	2.7
97.95945	0.3
116.92821	0.1
124.55157	0.1
152.99548	0.2
165.52626	0.1
174.80891	0.1
180.11304	0.1
190.34460	0.1
280.79889	0.1
321.03708	0.1
355.51697	0.1
390.16599	0.1
519.44629	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92332	0.5
59.01365	2.0
61.98820	3.3
65.38078	0.5
69.62369	3.0
71.01372	3.9
74.02438	0.5
75.00862	1.0
76.44087	0.4
78.53114	0.4
79.95731	32.3
80.96519	2.2
81.34734	0.4
81.95347	0.6
85.02944	1.3
89.02431	0.9
95.95224	42.1
96.96003	79.9
98.95574	0.6
101.02438	0.8
110.97546	2.2
113.02400	0.7
119.03496	0.7
122.97503	0.7
131.30788	0.5
137.02509	0.7
138.97058	4.6
141.95706	0.6
149.02451	0.7
150.03224	3.2
150.97040	8.7
151.03976	1.1
151.97836	6.0
163.04005	1.9
164.98615	0.8
165.05518	3.2
168.98148	0.5
172.04881	0.6
177.04095	4.4
187.50560	0.5
194.99690	1.1
195.06665	1.7
198.99176	3.2
205.05202	0.7
213.00691	1.9
222.99152	2.5
225.00664	2.3
241.00240	9.8
256.99710	5.5
259.01324	2.8
377.05371	1.0
391.06900	1.8
403.13943	1.0
405.04922	3.4
419.06479	2.8
420.07248	3.9
421.07858	0.9
433.07870	2.4
491.17343	0.7
537.21967	0.9
617.15338	100.0
618.15662	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	616.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62115	0.5
57.03445	0.6
57.67807	0.5
59.01374	9.8
61.98828	0.8
71.01376	7.3
72.99307	1.0
73.02933	1.5
79.95732	54.9
80.96511	3.9
83.01366	1.4
85.02942	3.0
86.02489	3.1
87.00880	1.5
89.02441	7.7
93.03443	0.6
95.01375	0.8
95.95230	0.7
96.96004	55.8
101.02431	9.2
111.00896	1.1
113.02434	4.0
115.16002	0.5
119.03501	4.5
120.10062	0.5
121.99177	1.0
125.92753	0.5
129.01891	1.2
137.02350	0.5
137.96330	0.5
138.97041	2.7
143.03516	0.5
150.03218	1.5
150.96989	0.6
159.80818	0.5
161.04530	0.9
163.04099	0.5
165.05524	1.2
195.06598	1.0
210.99126	0.5
238.98619	1.8
241.00217	6.9
256.99661	4.5
269.45605	0.6
287.16730	1.5
297.07211	0.6
343.11526	0.7
449.22067	7.3
529.17761	23.5
530.18158	2.0
536.25238	10.7
555.19135	1.6
572.22540	0.6
616.20880	100.0
617.20612	10.6
617.28754	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	616.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96425	0.1
59.90450	0.1
71.62363	0.1
72.76549	0.1
78.95892	2.2
79.95734	2.7
81.56696	0.1
96.96004	100.0
96.96880	2.9
97.06728	0.1
97.95930	0.3
116.92800	0.1
136.93562	0.1
152.99586	0.2
210.28357	0.1
227.47369	0.1
279.23230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50741	0.6
55.01863	0.8
57.03434	1.2
59.01375	19.1
61.98815	1.0
70.54455	0.6
70.82375	1.3
71.01384	8.7
72.99281	1.4
73.02953	3.1
75.00859	1.9
79.95734	10.2
80.96506	4.3
83.01395	1.0
83.05003	0.8
85.02943	3.9
86.78042	0.7
87.00879	2.3
87.04513	0.7
87.28374	0.6
89.02431	3.3
95.95220	0.9
96.96004	71.9
99.56030	0.6
101.02431	5.9
111.00876	1.3
113.02440	4.8
114.01891	0.8
119.03500	1.0
119.05016	2.5
120.99665	1.2
134.03706	2.4
137.02394	0.9
137.96307	0.8
138.97078	5.6
149.06085	0.8
150.97014	0.7
153.02095	0.6
161.04536	1.5
165.01851	0.8
179.07007	0.7
187.74948	0.7
191.05730	0.8
193.04955	1.4
195.06549	0.9
241.00189	9.0
256.99756	1.0
259.01285	1.7
277.21704	2.0
295.22778	1.2
304.50098	0.7
367.10101	1.5
451.71115	0.7
535.30933	7.3
553.26691	4.9
555.24774	4.7
615.26868	100.0
616.27216	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	614.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76416	0.1
59.01400	0.2
61.98821	0.4
68.60217	0.2
69.87455	0.9
72.06892	0.1
78.95899	2.1
79.95733	2.7
96.96004	100.0
96.96882	2.8
97.95943	0.3
116.92828	0.2
139.78362	0.1
147.49677	0.2
160.76337	0.2
161.02399	0.2
238.43460	0.2
288.70596	0.2
389.03488	0.2
490.79016	0.2
551.31366	0.3
613.38025	0.3
614.37549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14850	0.2
52.70460	0.2
59.01374	1.0
61.98821	0.4
65.34801	0.2
69.23569	0.2
70.93846	0.6
71.01374	1.1
71.09602	0.2
72.55573	0.2
72.99313	0.3
73.02947	0.3
79.95739	3.6
80.96504	0.9
85.02916	0.4
89.02444	0.4
95.95230	3.1
96.96004	56.3
101.02437	0.4
112.77794	0.2
113.02409	0.5
122.97578	0.9
138.36665	0.3
138.97050	1.8
150.96991	0.6
151.97789	0.2
164.98599	0.4
165.60303	0.2
171.01707	0.3
177.04042	0.4
198.99185	0.3
225.00774	0.3
241.00174	2.6
256.99548	0.4
287.49194	0.3
419.13531	1.5
435.16977	1.6
453.18060	0.7
615.23199	100.0
616.23505	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	615.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99357	0.3
55.57343	0.3
58.38349	0.3
59.01090	0.5
59.01375	6.9
61.98824	0.8
69.40366	0.6
69.40770	2.0
71.01382	2.2
72.99316	0.4
77.69255	0.3
79.95733	11.9
80.96510	5.0
83.01385	0.4
85.02942	1.2
87.00871	1.0
89.02441	1.1
92.34274	0.3
93.03426	0.4
95.01364	0.4
95.95222	0.8
96.96004	63.0
98.20599	0.6
101.02444	2.0
111.00889	0.7
113.02438	1.0
122.97562	0.5
125.02396	0.3
125.68771	0.3
129.01933	0.5
137.02513	0.4
137.96301	0.4
138.97066	3.9
150.97090	0.7
153.31874	0.3
157.30885	0.3
157.51143	0.3
165.01892	0.3
165.05589	0.4
166.96483	0.3
225.11293	9.7
238.98680	0.6
241.00214	10.2
256.99667	2.5
271.02524	0.4
299.02097	0.4
300.02347	0.4
307.14011	0.8
328.87158	0.3
379.10730	0.5
384.70734	0.3
435.16974	0.7
462.07980	0.3
463.08429	0.5
615.23242	100.0
616.23499	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	614.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70462	0.2
61.98812	0.3
71.57565	0.2
78.95898	1.5
79.95735	2.3
96.96004	100.0
97.95977	0.2
156.18478	0.2
166.35292	0.2
385.74417	0.1
614.27563	0.2
615.35657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.4
71.01385	0.4
71.62978	0.6
72.99326	0.4
78.95898	5.6
79.95730	3.2
82.95415	0.4
88.17320	0.3
88.33009	0.3
92.92799	0.5
93.22224	0.4
96.96004	100.0
96.96903	8.1
99.19372	0.3
116.92862	2.8
117.01956	0.4
117.92869	1.2
118.96899	0.4
125.35204	0.3
214.78185	0.3
269.68854	0.3
273.45251	0.3
279.23196	2.0
529.30261	0.5
619.24615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
60.13484	0.7
61.98835	1.9
69.03438	1.1
72.38155	0.7
78.05332	0.7
78.95904	3.6
95.05005	1.0
96.74881	0.8
96.95975	1.1
98.13970	0.8
125.09731	1.7
127.11250	1.0
141.12843	1.5
151.11310	0.9
152.99570	4.6
171.10260	43.3
183.10208	3.6
191.06947	1.0
195.13876	1.5
207.09840	1.0
209.07860	1.0
217.07280	1.0
249.22185	2.2
251.23874	0.8
259.20755	1.0
277.21701	52.8
278.11322	1.2
278.22083	3.0
295.22766	99.8
296.23038	8.1
297.24173	1.5
305.23892	0.8
317.20935	42.8
318.21371	2.0
361.19937	7.3
431.21991	1.6
566.31537	1.0
613.44464	100.0
614.44580	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	613.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
58.00580	0.5
59.01371	0.9
69.80287	1.9
71.01376	1.5
73.76857	0.3
79.95742	0.7
85.02952	3.7
87.00899	0.4
93.03432	1.3
95.01392	0.5
95.04999	0.4
96.12069	0.4
96.96001	11.5
105.94842	0.3
109.02927	1.1
113.02454	2.6
121.02956	1.9
122.03731	4.7
123.00850	0.6
123.04531	0.5
125.02454	0.5
125.20171	0.3
125.48100	0.3
133.02975	0.4
134.03679	0.6
136.01645	0.6
137.02431	4.7
138.97040	0.5
147.04440	0.4
149.02438	8.0
150.03215	27.8
151.00360	1.4
151.03999	2.0
152.04771	1.1
164.04785	1.4
165.01923	5.7
165.05556	28.6
166.02718	5.1
166.05893	1.0
167.03424	0.9
175.04015	0.8
177.05498	0.5
179.03445	1.5
179.07240	0.4
180.04276	5.4
181.05052	6.4
184.03618	0.5
187.03966	0.9
193.04958	0.5
195.06607	20.6
196.06955	0.5
205.04996	2.1
210.05350	0.7
220.07388	1.1
221.08076	0.4
225.07658	2.5
235.09656	0.4
241.00296	0.7
254.19238	0.4
282.05249	0.5
329.10208	0.9
341.10342	0.4
357.13339	0.5
359.11316	0.5
371.11121	0.4
372.11890	0.5
375.93588	0.4
385.13559	0.4
387.14630	4.6
388.15094	0.5
402.13242	0.6
403.13712	1.5
417.15536	9.4
418.15887	0.6
435.29306	0.4
463.32211	0.7
499.34335	0.7
509.32593	0.5
535.19043	1.2
541.35315	9.8
541.43506	0.6
542.35327	1.1
565.20734	17.1
566.21027	1.7
613.28650	10.8
613.37402	100.0
614.29187	0.7
614.37677	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	613.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40903	0.5
59.01375	4.4
61.98814	0.7
65.71545	0.5
69.99226	0.5
70.92500	0.8
70.92814	0.6
71.01371	3.7
79.95731	20.3
80.96502	3.6
83.01381	0.7
85.02940	1.6
87.00858	1.3
88.20325	0.4
89.02435	4.6
95.95226	1.7
96.96004	54.5
98.95592	1.3
101.02434	3.0
111.00867	1.7
113.02430	2.1
119.03492	1.7
129.01936	1.3
137.96281	0.7
138.97063	3.4
143.03529	0.9
150.97032	0.8
161.04559	0.5
166.96471	0.7
179.05579	1.4
209.06543	0.6
212.89174	0.5
238.98602	2.7
240.97968	0.9
241.00206	11.1
241.02444	1.0
256.99689	7.1
267.06573	1.2
295.06064	3.3
310.08575	3.1
325.10825	1.8
373.13028	3.5
433.15292	17.9
433.21201	1.1
434.15521	2.0
435.16809	3.3
467.80569	0.5
507.61490	0.5
613.21582	100.0
614.21973	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	613.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12748	0.4
56.38448	0.5
59.01376	17.2
59.01675	0.9
61.98825	1.8
69.50423	2.9
71.01375	2.3
72.99338	0.5
75.00890	0.6
79.95724	5.1
80.96516	2.6
85.02953	1.5
87.00880	1.4
96.96003	100.0
98.20620	0.8
101.02420	0.9
113.02437	1.3
123.04516	0.6
135.04448	1.0
138.97017	0.7
149.02475	0.7
149.24921	0.4
150.03244	0.9
150.97066	1.0
151.00577	0.5
159.04677	0.4
161.02383	0.5
162.03252	1.6
165.05606	0.6
166.96526	1.0
177.05530	1.8
178.02786	0.6
180.04256	0.7
181.01462	1.1
192.04367	0.5
192.95120	0.4
193.05025	0.5
195.06609	1.0
196.03738	1.4
207.06569	0.5
211.06052	1.4
222.99016	0.7
239.03343	0.7
239.06995	0.7
240.04221	7.1
240.36546	0.4
241.00212	33.9
242.00563	0.6
255.06659	1.5
265.05002	0.9
267.06604	3.4
270.08859	1.1
279.06570	1.1
283.06155	4.0
293.08115	0.9
294.08896	1.1
295.06079	11.9
295.09451	0.8
298.08432	8.2
299.08661	1.0
301.10794	0.5
309.07532	0.8
310.08447	11.8
311.08612	0.7
313.10785	18.4
314.10974	1.1
325.07309	0.9
325.10733	11.7
326.11124	0.9
343.11752	2.3
361.12897	28.4
362.13251	2.0
373.12872	34.8
374.13351	3.1
391.13965	3.2
395.58237	0.5
405.82892	0.5
421.11078	1.5
435.09412	0.6
451.12314	1.5
613.14209	49.9
614.14410	5.8
614.23175	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
61.98819	0.8
74.06761	0.3
78.95899	6.7
79.95736	3.8
86.89616	0.3
92.92789	0.5
96.96003	100.0
96.96896	6.8
98.19905	0.7
132.60632	0.3
148.19829	0.3
150.02960	0.3
152.99606	1.5
194.93646	0.4
277.21719	0.7
351.05820	0.4
360.22620	0.4
591.03510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11534	0.7
59.01367	8.4
61.98815	2.0
71.01358	2.0
71.62712	1.1
74.03426	0.8
79.95724	5.9
80.96490	2.4
81.92723	0.9
85.02920	1.5
87.00861	1.7
89.02395	1.1
95.95197	1.0
96.96004	100.0
99.00875	0.8
101.02396	1.8
113.02392	1.7
123.04454	1.1
135.04488	0.8
138.96938	0.8
150.96910	0.8
153.05533	0.9
162.03137	1.7
177.05501	3.1
180.04219	0.9
181.01337	1.1
195.06561	2.0
196.03714	2.3
209.06453	1.1
211.05980	2.2
240.04129	2.9
241.00197	34.7
255.06660	0.9
267.06561	1.6
283.05933	2.1
295.06061	5.5
298.08368	3.9
310.08472	5.3
313.10797	9.0
325.10706	4.9
340.09332	1.0
361.12863	11.8
373.08459	1.4
373.12900	15.3
374.13269	1.1
385.65186	0.9
391.14099	1.4
403.05170	0.8
433.15103	1.3
451.12268	2.3
613.13977	49.4
614.14600	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59280	1.0
51.79565	0.8
52.06056	1.0
55.01892	1.3
57.03454	1.1
58.00608	1.9
59.01376	68.6
63.16366	0.9
69.27867	2.6
69.28292	7.6
71.01381	36.7
72.37025	0.9
72.99325	4.3
73.02953	2.2
79.95753	3.3
80.96543	1.3
83.01413	3.3
85.02950	7.8
87.00855	1.9
89.02441	31.0
95.01419	2.8
96.95995	9.6
97.02985	1.4
98.19834	2.0
99.00908	1.6
99.04519	23.6
101.02443	16.2
111.04565	1.1
113.02442	11.9
113.03122	1.0
119.03497	8.8
121.06599	1.1
126.91541	1.1
129.01978	1.9
134.03714	2.0
135.04555	1.2
137.02473	2.3
143.03528	2.0
153.01912	1.4
153.05882	1.0
165.02000	2.8
179.03580	1.0
179.05693	1.5
180.04361	1.8
189.12862	6.4
191.05698	2.6
193.05130	3.4
195.06679	3.5
207.13887	44.2
208.14333	1.7
209.06718	1.9
225.07613	1.8
225.11324	2.2
233.11685	1.8
242.31487	0.9
251.12859	68.8
252.13281	2.1
256.99802	2.4
269.14041	2.1
290.54889	1.0
371.11859	1.1
375.12070	1.1
401.12659	1.2
403.05789	1.3
431.19150	93.1
432.19385	5.9
447.20691	2.8
449.14954	1.7
511.46396	1.0
611.26080	100.0
612.19446	0.9
612.26691	10.6
612.35699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40869	0.3
69.29198	1.8
69.29626	1.2
78.95900	8.5
79.95729	2.9
96.96007	100.0
96.96920	13.2
113.02376	0.4
116.92874	0.3
132.29984	0.3
277.21747	1.5
283.17853	0.3
291.03845	0.5
341.17212	0.3
351.06070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43169	0.4
55.80459	0.4
57.03440	1.1
59.01091	0.6
59.01374	8.9
61.98813	1.0
69.03452	0.5
71.01379	6.8
72.99295	1.5
73.02939	1.7
75.00871	2.5
77.26195	0.4
79.95731	67.8
80.96503	7.5
83.01381	1.6
83.24366	0.4
85.02941	3.8
87.00870	2.9
89.02438	1.9
94.98089	1.0
95.01409	0.6
95.95220	1.2
96.96003	54.4
98.19863	1.5
99.00871	2.0
101.02421	4.0
111.00887	5.9
113.02438	2.8
115.00376	0.7
117.01942	0.9
119.03489	0.8
120.95983	1.1
123.56105	0.4
125.02489	0.5
127.00355	0.7
129.01907	2.8
138.97057	3.5
150.97043	0.9
154.96497	0.6
159.03030	1.3
161.04439	0.5
166.96570	0.8
210.99121	1.1
221.06737	0.7
235.17021	1.5
238.98630	7.3
241.00204	8.0
251.16521	1.3
256.99713	19.4
258.00058	0.8
259.01190	0.5
283.68057	0.5
413.21722	4.9
414.22116	0.5
418.69424	0.5
461.18417	2.4
463.20029	20.1
464.20517	1.8
531.24329	7.6
532.25037	0.9
611.23816	100.0
612.24152	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	611.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54346	0.4
56.58910	0.4
57.03427	0.5
58.79777	0.4
59.01371	2.6
61.98824	1.0
65.99239	0.5
69.54882	3.5
71.01385	3.8
72.99302	0.6
73.02956	0.7
79.95731	14.8
80.96510	5.7
83.01386	1.3
85.02944	2.8
87.00868	1.8
89.02427	0.7
95.01476	0.6
95.95242	0.6
96.96004	63.9
97.02911	0.5
98.19890	0.8
99.00924	0.6
101.02448	3.3
111.00872	1.3
113.02415	1.5
116.13295	0.5
122.97545	0.8
129.01927	1.0
132.26012	0.6
134.03743	1.1
138.97052	4.5
142.56093	0.5
150.97037	1.7
159.03030	0.7
165.01941	0.8
166.96533	1.3
177.04047	0.6
180.04268	1.1
191.05553	0.6
193.05081	1.4
195.06718	0.9
200.14838	0.6
238.98671	2.3
241.00223	20.1
242.00676	0.6
256.99692	5.7
272.88452	0.5
276.06973	0.5
358.02463	0.6
371.11288	1.9
409.31497	0.5
416.40543	0.6
449.14380	1.8
551.26208	0.6
611.20099	100.0
612.20428	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	611.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
55.01868	1.0
57.03440	6.0
59.01374	4.5
60.51926	0.8
61.98825	7.8
63.46786	0.9
67.01882	1.0
68.99815	2.3
69.03445	3.0
70.37625	2.5
71.01377	13.9
72.99301	5.7
73.02924	1.2
79.95725	0.8
83.01377	3.5
85.02943	18.5
87.00851	4.8
87.04539	2.3
88.98804	1.7
89.02438	1.9
91.01916	1.6
93.03448	42.3
95.01350	0.9
95.95190	1.0
96.96005	7.1
97.02945	7.5
99.00893	4.8
101.02461	1.9
108.02170	0.8
108.52129	0.9
109.02840	0.7
111.00886	5.0
113.02455	2.9
115.04016	4.7
121.02931	3.3
121.20435	0.7
122.03738	4.8
123.04514	6.7
129.01927	14.8
134.03760	1.2
135.04471	1.4
136.01666	1.3
137.02432	100.0
138.02803	3.1
141.01927	4.1
149.02428	19.2
150.03210	33.5
151.00333	1.0
151.03851	1.6
152.01128	3.5
153.01933	1.0
159.02977	1.8
161.04584	0.9
163.04031	3.0
164.04768	11.9
165.05553	35.5
166.05887	1.3
166.51860	0.7
167.03476	11.9
167.04747	1.3
175.00281	0.7
179.07086	4.1
180.04303	2.8
181.05037	2.5
190.02798	1.2
191.03793	0.6
191.05588	17.8
193.01358	6.1
193.05014	0.7
194.05417	0.9
195.06590	13.0
195.08253	0.8
195.25119	0.7
198.41939	0.7
200.69269	0.8
205.04996	2.1
208.03743	14.2
209.04465	2.9
209.06628	2.5
223.06085	37.1
224.06439	1.1
241.00233	2.7
248.03403	0.8
381.08212	1.3
414.11545	2.5
415.12585	1.9
419.13477	1.8
473.13141	2.1
495.20062	0.9
561.16083	1.9
611.19720	84.6
612.19928	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	611.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
57.03450	14.0
59.01377	42.1
59.01850	2.4
61.98821	6.0
68.99819	3.8
69.03458	6.4
70.19295	4.8
70.19681	6.3
71.01386	39.4
72.99305	9.8
73.02925	3.3
79.95741	4.2
80.16352	2.6
80.96552	3.5
83.01382	8.4
85.02946	42.7
87.00877	11.4
87.04536	4.5
89.02436	16.8
93.03459	4.4
96.96021	18.7
97.02955	15.1
99.00873	12.4
99.04507	12.4
101.02452	14.2
106.87984	3.4
109.02923	3.0
111.00871	9.1
113.02425	16.7
115.04008	9.5
115.97093	2.4
117.03472	2.6
119.03481	7.3
129.01945	29.5
133.02953	6.1
134.03738	40.7
135.04529	13.5
137.02451	19.6
141.01938	7.2
145.02962	2.5
147.04506	3.1
149.06064	9.1
150.03200	3.2
151.00362	20.2
161.02426	12.8
162.03239	2.7
164.07153	6.2
165.01920	39.4
166.02629	4.6
167.03378	2.9
175.04002	4.4
178.02730	18.9
179.03493	14.0
180.04248	27.1
181.05031	13.2
189.12845	5.3
191.05612	29.6
193.05058	59.8
194.05620	7.4
195.06607	38.1
207.13892	27.4
209.06627	7.5
209.08321	2.7
210.05359	9.0
211.06096	9.2
225.05736	2.8
225.07619	17.4
227.03384	3.5
241.00168	4.8
251.12814	40.5
255.02875	11.9
256.99564	2.8
283.02454	12.3
284.03189	8.5
285.03955	3.3
287.05548	4.2
287.11896	3.2
297.07837	3.7
367.20999	14.6
368.21536	4.9
369.21921	8.1
371.11246	10.7
372.12094	3.0
399.12875	2.7
403.05392	3.0
403.21417	3.1
419.13397	3.8
431.13660	4.4
431.19165	53.0
443.11850	3.3
447.20410	14.2
449.14993	3.6
458.11368	11.2
475.16251	3.1
561.16248	3.0
611.18384	100.0
611.26617	16.3
612.19330	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	611.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38116	1.2
57.03437	6.0
59.01359	4.1
61.40977	1.1
61.98809	3.3
65.73497	1.2
67.01873	2.6
68.99805	2.9
69.03439	4.7
69.03790	1.2
69.10100	1.1
69.28748	10.3
69.29159	2.8
71.01384	13.3
72.99313	6.2
75.00848	2.0
83.01357	4.7
85.02946	23.1
87.00858	4.7
87.04501	3.5
89.02417	1.7
89.90145	1.2
93.03426	1.9
96.95989	3.5
97.02961	10.4
99.00884	7.9
101.02478	1.8
111.00877	2.9
113.02441	3.8
115.04018	5.8
121.02924	5.4
122.03697	4.8
123.04482	2.2
129.01924	21.2
131.52200	1.2
134.03737	1.4
135.04477	1.6
136.01602	1.7
141.01878	4.9
149.02441	22.7
150.03220	39.7
151.03880	4.2
152.01099	2.9
159.02959	2.2
163.03976	1.3
164.04765	14.0
165.05557	40.9
166.02669	1.3
166.05861	1.2
179.07091	4.7
180.04222	3.5
181.04996	3.6
188.80064	1.4
190.02766	1.6
191.03876	1.0
191.05591	25.0
193.01407	6.1
195.06609	16.6
205.05051	1.5
207.02928	1.3
208.03755	19.6
209.06534	1.3
213.83594	1.2
223.06105	42.8
224.06464	1.5
256.99609	1.3
269.26572	1.2
280.35980	1.2
312.09723	1.2
326.29715	1.4
371.11154	2.8
414.11432	1.7
419.13297	4.9
561.16125	2.7
611.19604	100.0
612.19989	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	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70097	0.3
57.03438	1.2
59.01131	0.3
59.01369	1.8
61.98825	3.1
65.03953	0.6
67.01881	0.4
68.99798	0.7
69.03448	1.2
70.53064	0.7
71.01376	3.2
72.99314	1.5
73.02930	0.7
74.00675	0.3
79.95739	0.6
83.01382	0.8
85.02945	4.5
87.00887	0.9
87.04510	0.7
88.98805	0.9
89.02435	0.7
90.20354	0.3
91.01880	1.5
93.03452	45.2
94.03779	0.8
95.01357	0.4
96.96004	4.5
97.02946	1.5
99.00880	1.7
99.30260	0.3
101.02425	0.9
108.02174	1.2
111.00893	1.0
113.02444	1.0
115.04013	1.2
119.03490	0.3
121.02921	0.5
122.03730	0.6
123.00900	0.4
123.04518	6.1
129.01935	4.1
134.03674	0.3
135.04495	0.3
136.01634	0.5
137.02434	100.0
138.02765	2.3
138.97018	0.3
141.01918	0.9
143.03499	0.4
144.04858	0.9
144.89394	0.3
147.04547	0.4
149.02437	3.3
150.03214	7.7
151.00363	0.8
151.03917	0.4
152.01158	1.6
153.01974	0.5
159.02991	0.6
163.03996	0.7
163.54538	0.3
164.04781	2.9
165.05551	7.4
166.02707	0.4
166.05879	0.3
167.03484	11.9
168.03874	0.5
179.07024	0.6
180.04214	0.7
181.05095	0.4
190.02670	0.5
191.05603	4.1
193.01456	0.8
193.05023	0.6
195.06593	3.1
205.05104	0.3
208.03722	2.7
209.04533	0.8
209.06651	1.0
216.45642	0.3
223.06094	7.8
241.00255	0.7
256.99689	0.5
405.11920	0.3
414.11813	0.4
415.12476	0.4
419.13486	0.5
443.11951	0.4
454.92200	0.3
473.12985	2.2
567.16876	1.3
611.19720	17.9
612.19946	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	609.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76756	4.5
59.01387	6.7
61.57012	4.9
70.27493	10.2
70.27888	11.4
78.95908	5.5
86.77798	4.4
87.18159	5.1
89.49959	4.2
91.35441	5.1
96.54118	4.4
98.19968	5.6
101.31302	4.6
109.10696	4.6
131.34253	4.8
146.78123	4.3
253.21674	100.0
460.67169	4.7
559.85077	5.9
592.19385	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	611.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85771	4.0
59.01393	3.4
61.98824	8.1
68.90700	4.0
70.74837	3.2
71.62640	4.5
75.79481	3.4
78.95910	26.5
80.82257	3.3
96.96008	100.0
96.96970	9.6
102.82548	3.2
135.42635	4.1
152.44078	3.4
152.45206	5.5
152.99590	9.6
153.36720	3.9
157.60501	3.6
178.94211	4.6
205.31917	3.6
250.96263	6.4
279.99237	4.4
280.10315	4.0
340.91736	3.8
390.94019	3.6
431.22794	3.6
611.38086	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00026	0.6
69.69889	1.9
69.70313	2.3
78.93862	0.6
79.11803	0.6
105.01447	0.6
180.11969	0.7
180.71655	0.7
184.69652	0.6
253.21773	1.0
279.23260	100.0
280.23627	6.6
342.40573	0.6
372.70502	0.7
397.70914	0.8
530.15338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.2
59.01374	63.1
61.98821	2.4
69.03442	1.6
71.01378	23.8
71.17384	1.0
71.17728	1.3
72.99303	2.4
73.02939	6.2
73.49329	0.8
74.99107	1.1
75.00884	1.1
78.95890	2.2
79.84739	0.8
79.95719	3.4
83.01379	2.7
85.02940	12.7
87.00867	2.3
87.04515	1.1
89.02445	5.9
93.03395	0.8
95.01369	2.8
96.96011	11.3
97.02925	1.9
99.00839	2.8
101.02433	10.1
111.00844	1.2
113.02440	14.8
115.76868	0.8
119.03509	1.8
124.01645	1.1
125.02446	1.3
129.01915	1.4
134.03694	2.4
135.04515	1.1
137.02412	1.5
138.97128	0.9
142.41954	0.9
143.03438	2.1
151.03889	1.1
159.02972	1.4
161.02452	1.3
161.04514	2.3
165.31679	0.8
171.13931	1.5
181.05042	1.2
187.13383	0.9
193.04947	2.8
201.14996	1.4
209.06520	1.2
241.00162	2.2
256.99683	2.1
265.23721	0.8
315.25629	0.9
343.28275	0.9
359.27740	1.7
361.29526	7.3
385.11331	1.5
505.33774	100.0
506.34106	11.2
523.34821	21.4
524.34943	2.3
529.24719	3.5
565.35889	11.6
566.36487	1.3
609.21185	4.9
610.31085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2213
Annotation	Cannabisin C
Peak:m/z	Relative Intensity
52.59928	0.4
57.03502	0.6
58.00650	0.5
59.01442	2.3
60.99356	1.0
61.98888	0.4
68.99371	0.5
71.01460	2.0
71.62949	0.5
71.63351	0.6
72.99383	0.5
73.03008	0.5
79.95818	2.2
80.96586	1.0
85.03033	1.5
87.00948	0.9
87.04567	1.0
88.98305	0.5
88.98799	6.2
89.02545	1.5
96.95435	1.1
96.96104	6.6
97.03020	0.4
99.00933	0.5
99.04604	0.6
101.02503	0.9
103.04144	0.4
106.65696	0.5
113.02557	0.6
113.05482	0.7
113.06047	2.4
129.02016	0.5
135.04535	0.5
165.02007	0.8
166.96606	1.3
167.10939	0.4
180.04347	0.5
191.05571	0.5
191.14525	0.5
196.02487	0.5
203.08504	0.5
209.06845	0.5
233.19029	1.1
241.00201	25.1
242.00591	0.6
255.02951	0.7
257.19165	0.7
263.20175	0.7
271.02536	1.2
284.03195	0.9
285.03928	1.3
285.18597	1.5
293.21155	0.7
300.02817	2.3
301.18164	0.6
303.19656	2.1
323.22205	0.5
331.19180	1.0
349.20044	0.8
365.19693	2.9
367.21179	100.0
368.21579	8.9
430.67548	0.5
549.24548	0.6
609.21790	52.4
610.14349	0.5
610.22229	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
57.03438	8.0
59.01367	5.8
60.04063	0.7
61.98817	4.9
67.01896	2.2
67.86633	0.8
68.99818	5.9
69.03455	5.1
71.01379	17.3
71.01754	1.0
72.99297	9.1
73.02956	2.8
83.01357	4.3
85.02937	27.0
87.00878	5.7
87.04509	3.5
88.98807	0.9
89.02475	2.6
93.03512	1.0
95.01403	1.1
96.95998	3.8
97.02942	10.8
97.03454	1.0
99.00877	8.4
101.02457	3.1
108.02155	8.4
109.02966	4.0
111.00865	4.8
113.02442	5.2
115.00371	1.9
115.04013	5.5
117.01991	0.7
117.42709	0.7
121.02959	2.9
122.03764	1.0
123.00882	1.5
123.04519	6.9
125.71486	0.7
129.01933	26.1
131.03618	0.8
132.02164	0.9
133.02960	0.8
134.03703	5.4
135.04521	4.2
136.01709	0.8
137.02457	1.8
138.03256	2.2
141.01898	5.1
147.04543	1.8
148.01576	0.8
149.02417	16.5
149.03564	1.1
149.06097	1.5
150.03218	6.4
151.04022	2.3
152.01151	3.4
153.01875	0.7
153.05557	1.0
159.02951	4.1
160.01701	0.6
161.02444	3.1
162.03220	8.2
163.03981	10.2
164.04788	18.5
165.05536	2.1
166.02692	6.3
167.03448	0.7
169.05061	1.9
171.03027	1.0
173.02431	0.7
173.04552	1.2
174.03206	0.9
175.00333	0.9
175.04089	0.9
177.05531	10.9
178.02690	8.2
178.06328	1.1
179.03455	6.9
179.07091	7.9
180.04163	0.7
181.05034	1.6
183.06572	5.0
185.57782	0.8
188.05092	0.8
189.04071	1.2
189.05595	0.8
190.02693	4.0
191.03787	0.8
191.05585	23.2
191.07323	1.1
192.04295	0.9
192.07883	1.4
193.01453	5.2
193.05026	15.7
194.05647	0.9
195.06569	1.5
196.14967	0.6
205.05043	11.9
206.02330	0.8
207.02879	1.6
207.06648	0.9
208.03755	19.7
209.04469	2.0
209.06622	22.2
209.08565	1.4
218.05829	1.0
221.08260	1.1
222.05304	8.9
223.06081	52.7
224.06488	2.3
235.28456	0.7
237.07567	0.9
247.09723	0.8
256.99619	1.1
263.05545	1.5
265.07184	1.5
277.07428	0.8
291.08704	6.0
292.09149	0.8
295.08133	2.0
318.97302	0.8
321.09793	2.5
328.09415	1.4
333.41006	0.8
339.10776	2.8
343.11801	2.5
352.61685	0.7
355.11899	1.8
365.09003	0.9
369.09454	0.8
373.08939	1.0
373.12900	2.1
385.09103	1.0
387.10944	4.3
397.11395	1.0
399.10776	3.3
400.09872	1.4
403.10846	1.0
403.19855	0.7
414.11612	100.0
415.12225	13.8
417.11868	10.9
531.77740	0.9
545.12982	1.2
549.28229	0.9
559.14325	1.7
577.15527	1.0
579.16962	4.4
591.16718	1.3
609.18109	65.2
609.27039	5.2
610.18262	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	608.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39592	0.5
55.01723	0.5
55.01956	0.9
57.03506	0.8
59.01147	1.9
59.01477	7.9
61.98906	0.6
71.01059	4.3
71.01498	23.0
72.99407	0.6
73.03065	1.5
75.00918	0.6
79.46386	0.4
79.95866	4.3
80.67452	0.4
80.96657	3.2
83.01057	0.7
83.01524	1.5
85.03088	4.8
87.01015	1.5
88.03571	0.9
88.04182	5.5
89.02586	3.7
95.01504	1.0
95.95323	0.7
96.95464	3.6
96.96156	29.8
98.06261	6.2
99.00421	0.7
99.01032	1.8
101.02593	6.5
111.01028	2.7
113.02603	5.6
114.99657	1.5
115.00532	14.0
119.03669	1.5
120.96235	0.5
126.09361	0.7
129.02113	1.9
138.97070	2.7
152.18887	0.5
159.03123	1.0
161.04713	1.5
169.07541	0.6
193.05215	0.5
209.41937	0.4
234.18816	1.0
235.16978	3.3
238.98679	3.5
241.00478	1.9
245.85379	0.5
251.16768	1.4
251.66331	0.6
256.99649	6.1
259.01276	4.3
288.39502	0.5
304.19366	1.6
306.20731	8.4
311.84036	0.5
322.20459	1.5
350.19547	2.7
366.19119	3.5
371.11975	0.6
412.23737	1.1
413.21701	7.3
414.21945	0.5
457.72928	0.5
475.60706	0.6
484.25610	2.0
505.33658	1.8
510.23318	0.6
528.24420	100.0
529.24689	9.4
537.67480	0.5
608.20013	34.3
609.20239	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	607.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03442	4.8
58.00567	2.0
59.01377	81.7
61.98814	3.4
67.64666	1.2
69.03469	2.0
69.93175	3.7
69.93566	1.8
71.01379	33.4
72.97511	2.6
72.99311	4.2
73.02937	7.1
75.00866	1.6
79.95731	2.8
83.01400	4.7
85.02946	25.9
87.00884	5.1
87.04478	1.3
88.98803	2.9
89.02429	9.0
95.01378	3.5
96.96014	8.8
97.02953	5.7
98.19985	1.8
99.00873	4.9
101.02446	17.7
103.00378	1.4
109.06631	1.5
111.00867	3.1
113.02425	13.8
115.04021	2.8
117.03503	1.7
119.03477	2.6
121.02946	1.5
121.10210	1.5
123.47682	1.2
125.02539	1.4
129.01918	8.5
134.03731	35.0
135.04521	2.1
135.08167	2.2
137.02446	1.7
141.01950	3.7
141.05559	2.4
143.03438	1.8
149.06078	3.0
160.01659	5.1
161.02428	1.5
161.04547	4.1
175.04050	8.0
177.09232	1.6
178.02705	1.9
179.03540	2.8
179.07042	2.7
191.05551	7.3
193.05037	27.7
195.10324	9.2
201.14977	8.1
209.06627	18.3
239.09204	31.8
240.09404	1.6
250.56738	1.2
275.05408	1.2
359.27884	2.4
367.10263	17.2
369.67422	1.3
385.11331	56.8
386.11719	5.1
413.14551	1.5
415.22766	1.9
431.15479	3.7
503.32208	100.0
504.32483	11.7
521.33203	17.5
522.33917	2.4
561.29041	12.7
562.29498	1.6
563.34528	6.0
607.20331	17.6
607.29340	10.0
608.20795	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	607.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
58.00575	0.9
59.01374	18.5
69.03452	0.5
69.62154	3.3
71.01378	13.2
72.99315	0.7
73.02929	0.8
79.95750	0.8
83.01366	1.1
83.04995	0.7
85.02948	3.3
87.00873	0.9
88.98811	1.0
89.02438	9.8
91.98631	0.4
95.01383	1.1
96.95995	2.2
98.19930	0.5
99.00865	1.2
101.02434	8.5
113.02440	4.7
119.03504	4.0
135.04495	0.5
135.08115	0.6
140.20314	0.4
149.04547	0.6
150.03197	0.5
159.04582	0.6
160.05249	1.8
161.04518	0.5
161.06006	0.5
175.03992	0.5
175.07646	2.1
177.05531	0.7
178.06267	0.7
179.07103	1.6
191.14310	0.6
209.06670	0.7
221.06560	0.5
257.19159	0.7
273.18518	0.8
285.18759	2.4
319.19125	0.7
329.13885	7.6
332.55450	0.5
347.18573	13.9
348.18875	1.2
359.14975	1.0
365.19882	0.5
401.16211	0.8
427.14255	1.8
527.24988	1.2
547.27435	3.9
607.20593	100.0
608.20898	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	607.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
57.03432	2.7
59.01375	67.3
63.94928	0.9
66.63622	0.9
68.99791	1.1
69.03450	3.4
69.65035	2.1
69.65460	4.4
71.01369	6.6
72.99297	5.2
73.02927	1.6
79.01870	2.7
81.03455	2.5
83.01395	1.1
83.05048	1.2
85.02947	13.8
87.00889	5.1
89.03986	1.3
95.05006	2.6
96.96031	1.7
97.02951	3.8
97.06550	2.0
99.00879	2.6
99.86151	0.8
101.02392	1.5
101.08468	0.9
109.06573	2.7
111.00878	3.2
111.65757	1.0
113.02439	2.1
115.03980	2.3
117.03461	2.1
123.04504	1.2
129.01918	8.8
132.02138	1.2
134.03728	44.8
135.08154	3.4
137.02376	1.3
138.01979	2.2
140.77203	0.9
141.01913	3.6
141.05557	4.0
149.06044	6.6
151.11203	2.4
155.03462	2.0
159.02979	2.7
160.01642	6.5
173.04489	3.0
175.03973	11.0
176.04613	0.9
177.09177	3.6
178.02666	2.0
179.07167	1.4
182.77406	1.0
191.05614	8.6
191.07141	1.5
193.05037	37.6
194.05365	1.7
195.10249	30.9
196.10414	1.1
209.06647	18.9
210.06989	0.9
221.08115	2.0
233.08165	1.4
235.06049	1.7
239.09221	100.0
240.07445	1.1
240.09500	5.4
242.82423	1.1
275.05569	0.9
308.06335	0.9
313.49817	0.9
318.32748	1.0
322.07114	2.7
335.07715	2.0
367.10275	23.5
368.10675	2.1
385.11362	49.9
386.11697	3.5
413.14340	3.3
431.15518	8.9
503.32156	8.6
521.33038	2.9
607.20361	40.8
607.30054	1.8
608.20935	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	607.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.7
59.01374	71.5
64.03068	0.7
68.99820	0.7
69.03436	1.7
71.01382	7.2
72.99310	2.9
73.02939	1.6
78.71148	0.7
79.62432	0.7
81.03461	2.4
83.01367	1.9
83.05003	1.2
85.02942	13.4
87.00883	3.6
87.04508	1.5
88.98867	0.8
89.02428	2.2
89.03941	1.0
90.32013	0.9
95.01409	1.2
95.05026	2.6
96.96000	2.2
97.02924	4.8
97.06595	2.4
98.20635	1.4
98.73471	0.7
99.00874	3.0
101.02435	3.7
104.65506	0.7
109.06589	2.5
111.00861	2.8
111.12717	0.8
113.02469	4.1
115.04027	2.6
117.03455	1.8
121.50871	0.7
123.04504	1.1
129.01932	9.8
132.02191	1.3
134.03729	42.7
135.08154	3.7
137.02440	1.7
141.01923	1.9
141.05566	5.8
149.06047	6.1
151.11266	1.8
155.03481	0.7
159.02962	2.3
160.01646	8.5
161.02481	1.4
173.04478	1.7
175.03986	10.8
177.09236	4.0
178.02672	1.3
179.07152	0.9
191.05592	8.4
191.07129	1.5
193.05037	37.7
195.10254	27.3
196.42419	0.9
209.04662	1.5
209.06631	22.3
210.53035	0.7
221.08154	1.8
233.08101	1.5
235.06180	0.9
239.09227	100.0
240.09605	4.1
261.07544	1.2
283.02341	1.5
313.07272	1.6
335.07727	2.5
365.19269	0.9
367.10315	20.9
368.10516	1.1
385.11353	60.5
386.11700	3.6
413.14551	1.1
413.22040	1.0
414.22107	1.5
415.22565	2.1
431.15536	3.5
446.96475	0.8
503.32199	9.5
521.33484	2.2
590.49225	0.8
606.29041	1.0
607.20264	21.9
607.29041	4.1
608.20496	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	607.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30132	1.1
59.01374	19.4
61.98823	1.7
70.31033	1.1
71.01381	10.4
71.57918	1.6
73.02934	1.9
74.25957	1.1
83.01359	1.4
85.02937	3.3
87.00873	2.6
88.98805	3.1
89.02440	8.9
93.03445	3.7
94.22168	1.1
95.01385	1.1
96.95999	8.9
99.00814	1.2
101.02440	8.1
113.02439	7.2
119.03497	4.1
121.02959	3.3
122.03754	2.9
134.61572	1.0
135.04544	5.0
137.02429	7.8
142.90826	1.2
145.02922	2.1
149.02429	19.1
150.03223	44.1
151.03719	1.4
161.02458	2.5
161.04558	2.5
162.03186	2.5
163.03955	2.2
164.04785	7.4
165.05553	61.0
166.05931	1.7
177.05573	3.6
179.05589	3.1
180.04301	3.1
193.05058	2.0
195.06607	19.6
209.99582	1.1
225.59785	1.2
248.09267	3.1
258.98856	1.3
267.62234	1.3
285.07645	1.9
286.08447	1.9
298.08310	1.7
301.10825	12.2
327.10886	9.7
343.11929	1.7
357.11832	1.3
361.12924	14.0
362.13422	1.3
388.41580	1.2
407.13449	7.3
409.14880	3.6
410.14572	4.3
523.18115	43.9
524.18427	4.5
571.20270	100.0
572.20685	11.6
588.42938	1.4
607.18494	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	605.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78069	1.2
61.98816	2.1
69.79610	6.9
78.95903	1.3
96.35416	1.1
98.19875	2.2
111.94358	1.2
141.25737	1.3
182.02217	2.2
277.21704	100.0
278.22073	7.9
327.07324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.8
61.98817	6.0
71.01379	2.4
71.62241	2.4
75.79947	1.4
79.95721	1.9
85.02965	3.8
87.00884	1.4
92.31367	1.5
96.96007	5.9
108.02184	2.1
109.02963	2.0
113.02491	1.6
116.19706	1.3
131.07161	3.3
132.02196	2.6
133.02911	4.7
134.03754	12.3
135.04504	4.3
137.02509	1.8
145.72615	1.3
148.04047	32.6
148.05222	2.2
149.04788	18.9
149.06046	9.8
160.01622	10.9
161.02432	68.0
163.06355	25.9
165.05574	1.7
173.08141	1.8
175.02690	2.1
175.04012	16.4
190.05061	2.3
225.11284	3.1
234.07857	1.9
267.06467	2.9
282.08896	4.0
306.37418	1.4
325.09479	13.7
340.11841	80.0
341.12042	4.8
356.61810	1.6
358.12912	100.0
359.13153	7.3
417.85849	1.4
480.00192	1.4
527.23163	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	607.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00183	1.3
59.01365	1.7
61.98826	1.7
64.69775	1.2
68.41760	1.2
70.98997	2.9
73.06418	1.3
73.59831	1.3
73.87450	1.4
88.98808	3.5
89.03966	1.2
96.96001	6.4
111.00916	1.3
115.00298	1.3
133.01395	1.4
149.02457	5.7
150.03247	12.8
151.03952	2.4
164.04852	3.3
165.05547	35.0
170.18105	1.3
195.06651	5.2
234.71516	1.2
301.10754	8.0
361.13037	14.9
373.09796	1.5
409.15009	100.0
410.15250	9.3
452.24554	1.3
607.17822	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	605.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58369	0.4
55.01856	1.6
57.03448	5.2
58.00562	0.7
59.01375	9.8
60.38240	0.4
67.01888	0.8
68.36139	0.4
68.99795	1.7
69.03445	3.7
69.37091	1.5
69.37521	2.1
71.01375	17.5
72.99300	4.1
73.02937	3.7
79.01874	0.4
83.01379	3.4
85.02944	22.2
87.00866	4.3
87.04501	1.3
89.02434	2.6
95.01363	1.6
97.02947	7.4
98.03321	0.4
99.00870	5.2
99.04504	0.9
101.02443	6.8
111.00854	1.9
113.02451	5.5
115.04012	3.1
119.03487	0.6
128.62595	0.4
129.01933	9.4
140.63690	0.4
141.01945	2.2
159.02983	1.5
191.05586	5.5
206.40028	0.4
233.15414	0.6
235.17027	9.0
236.17407	0.4
251.16460	2.9
319.90097	0.4
346.76715	0.5
413.21762	12.9
414.22031	0.4
427.23386	2.5
475.99973	0.5
545.28387	0.8
555.24451	3.6
605.28082	100.0
606.28339	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	605.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03444	5.9
58.00579	0.6
58.03778	0.3
59.01376	13.0
59.98511	0.2
60.01694	0.6
61.01796	0.3
67.01884	1.2
68.99805	1.9
69.03450	4.6
71.01376	19.8
72.01710	0.5
72.98912	0.4
72.99303	4.6
73.02941	4.5
75.00880	0.3
83.00883	0.3
83.01382	4.8
84.50244	0.2
85.02945	23.8
86.00108	0.7
86.03268	0.5
87.00864	4.7
87.04507	2.3
89.02434	3.6
95.01385	2.0
96.95986	1.2
97.02945	7.9
98.20559	0.5
99.00875	6.8
99.04530	1.2
99.05072	0.2
101.02438	8.3
102.02733	0.3
111.00865	2.5
112.01620	0.2
113.02443	7.2
115.04004	3.5
119.03501	0.8
125.02442	0.3
129.01929	9.6
141.01924	2.8
143.03464	0.4
146.88730	0.2
159.02974	1.3
161.04509	0.6
177.67412	0.2
191.05592	5.5
209.06602	0.8
210.26048	0.2
233.15392	0.5
235.17012	9.9
236.17311	0.4
240.58257	0.2
251.16501	2.5
303.19632	0.3
395.20618	0.4
413.21741	13.2
414.22125	1.2
427.23276	2.8
543.27814	0.3
544.28363	0.6
545.28735	2.9
555.24390	3.4
556.24615	0.4
562.29584	0.6
563.29797	3.3
603.57806	0.3
605.28070	100.0
606.28418	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	605.2598
Annotation	CHEBI:66777
Peak:m/z	Relative Intensity
51.42088	0.5
55.01857	0.6
56.41998	0.4
57.03445	3.2
58.00582	0.6
58.69062	0.4
59.01096	0.6
59.01376	9.5
67.01878	0.9
68.99833	0.4
69.03439	2.2
70.50468	0.5
70.76391	1.1
71.01376	12.9
71.05011	1.1
72.99299	4.5
73.02930	1.5
73.18950	0.4
75.00867	14.0
78.95869	0.7
83.01370	1.0
84.94386	0.5
85.02950	16.9
87.00857	4.5
89.02433	2.7
95.01385	5.6
96.95999	1.1
99.00870	8.5
99.04510	2.8
103.00361	2.4
111.00904	1.0
113.02440	19.6
113.53011	0.6
115.00340	1.6
117.01908	2.8
121.02944	55.4
122.03271	1.6
122.05795	0.5
129.01915	1.1
131.03497	0.5
157.01328	1.1
175.02486	3.5
193.03488	3.6
231.05026	1.2
238.50337	0.5
245.15775	0.5
249.06142	0.5
251.16499	15.8
252.16777	0.9
300.12988	0.5
353.08795	4.1
371.09735	6.5
444.28290	0.5
483.22110	1.5
583.22394	0.5
587.25006	1.2
605.25952	100.0
606.26294	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
50.55909	0.4
54.31333	0.3
54.84727	0.3
61.98817	0.7
64.59412	0.4
70.69311	0.3
71.19731	0.4
71.20060	0.6
78.95889	1.7
96.95985	0.5
106.06602	0.5
110.98560	0.4
115.97075	0.4
119.94662	0.5
137.60924	0.3
162.05573	0.3
167.01195	0.7
178.94382	0.5
237.10291	0.4
237.16902	0.4
260.14127	0.4
277.21841	0.4
282.99017	0.5
415.15274	0.7
429.17151	1.2
430.18088	1.1
439.34119	0.3
441.19046	0.3
442.18100	0.4
443.18509	0.7
456.15378	0.4
457.20175	1.6
459.17838	3.1
461.23221	0.4
470.21094	1.2
471.18436	1.6
472.18671	0.8
473.19781	5.2
474.19897	0.6
485.18469	1.7
485.24158	1.1
486.20773	3.3
487.21017	0.8
496.18863	0.8
499.17749	1.6
501.23703	3.0
511.21164	2.1
513.19714	2.4
514.20062	8.3
515.20685	1.0
517.18481	0.7
518.19446	1.4
528.21606	0.8
529.22400	100.0
530.22742	12.4
532.21014	1.8
533.21710	1.7
545.22028	1.4
561.25238	0.7
573.21295	1.3
605.23975	1.4
605.36731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.0
61.98819	0.9
71.01398	3.4
71.62585	0.8
82.95420	0.7
85.02932	1.4
87.00883	0.8
89.02456	2.5
95.78255	0.7
96.95986	4.2
101.02460	1.6
113.02438	1.7
119.03520	0.8
128.10811	2.9
129.01947	1.1
130.08728	100.0
131.09085	2.2
134.03694	0.8
135.04517	0.9
150.03186	1.4
163.11281	7.3
165.05547	2.8
169.05989	0.7
172.09778	96.8
173.10103	3.2
195.06645	1.3
209.06662	2.6
216.08786	1.3
227.09604	0.7
387.16565	28.4
388.17145	2.1
473.93854	0.7
561.17908	2.5
604.17401	1.2
605.16437	1.7
633.97479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.2
59.01375	21.0
71.01377	14.9
71.40188	0.4
71.62656	0.5
72.99284	1.3
73.02937	0.6
79.95733	5.5
80.96503	1.9
83.01377	1.0
85.02952	4.0
87.00837	1.3
89.02440	12.8
95.01381	1.0
96.96001	34.8
101.02442	11.6
112.94419	0.5
113.02428	6.0
119.03500	5.7
121.02956	0.8
123.04503	0.5
130.08728	0.6
134.03717	0.9
135.04500	0.7
138.97017	1.3
149.02260	0.4
149.04504	0.5
150.03162	0.8
150.78719	0.4
153.01904	0.4
165.05530	1.9
165.09221	1.0
183.10228	0.6
193.04990	0.4
200.52232	0.4
209.06589	0.8
241.00223	4.3
345.15512	10.1
346.15823	0.5
363.16705	0.7
381.12106	5.4
443.12048	1.0
525.21906	1.7
553.60333	0.4
605.17487	100.0
606.17780	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
57.03452	2.7
58.00595	1.8
59.01375	100.0
59.61380	0.3
60.01711	0.4
67.01875	0.4
69.03446	1.2
69.52232	1.8
71.01376	50.5
72.99303	2.5
73.02942	11.7
75.00869	1.6
77.98939	0.3
79.95718	0.4
83.01379	5.6
84.02180	0.3
85.02943	22.5
86.00091	0.4
86.03304	0.4
87.00869	4.0
89.02437	22.5
95.01377	5.9
96.95996	1.6
97.02948	2.2
99.00883	4.6
101.02437	30.7
109.38215	0.3
111.00883	2.3
112.01651	1.5
113.02441	30.3
114.02785	0.4
115.04000	0.7
119.03500	8.6
124.01668	2.5
125.02431	3.6
129.01938	2.6
131.03513	0.9
136.60307	0.4
141.01892	0.6
142.02701	0.5
143.03487	5.9
149.04581	0.5
159.02959	1.9
161.04533	9.5
179.05640	2.4
270.17206	0.3
329.21420	0.3
381.22772	3.6
382.23135	0.7
399.23819	8.3
399.28693	0.7
400.23914	0.6
441.24789	0.7
469.24106	0.8
479.26535	0.8
495.25751	0.4
507.26074	1.5
513.26880	0.9
543.28040	93.9
544.28351	10.9
561.29095	83.4
562.29449	9.6
562.90588	0.4
603.30206	8.6
604.30432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51250	0.5
59.01366	2.4
60.99303	11.1
64.84500	0.4
71.01365	0.8
72.09272	0.5
77.42495	0.5
87.00871	4.5
88.00391	6.1
88.01225	0.6
88.04022	1.2
88.98801	65.1
89.02437	100.0
89.99207	0.7
90.02773	0.6
96.95995	5.4
98.19841	1.3
110.11882	0.6
119.38439	0.5
136.68196	0.6
229.60635	0.7
277.21713	5.3
279.22952	0.7
603.38989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.4
59.01370	37.4
61.98832	4.7
63.96381	4.0
68.99772	4.0
71.01376	9.0
72.99286	6.9
73.01120	4.3
74.02463	7.6
75.03011	4.6
82.18107	4.5
84.71861	4.8
85.02932	18.2
85.06606	7.3
85.18952	4.4
87.00883	6.0
95.30358	4.4
96.85332	4.6
96.95979	26.6
97.02921	6.6
98.55444	4.8
109.02920	4.8
113.02393	5.5
113.06070	11.2
121.02876	5.4
129.01912	19.5
131.07129	76.2
133.02908	5.0
134.03735	54.0
149.06137	6.5
151.04001	5.3
161.02376	4.4
165.05510	12.8
173.08186	35.0
179.07309	5.4
181.05006	4.6
191.05626	4.5
193.05038	92.3
194.05273	6.3
195.06577	10.4
209.06631	39.6
236.77219	4.6
247.42226	4.6
270.07666	5.8
367.73273	5.1
385.11368	100.0
386.11703	5.3
397.11200	13.8
456.99948	4.5
603.19592	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	603.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
58.02961	4.1
59.01378	6.5
68.99775	1.5
69.03439	3.8
70.02976	7.2
70.76705	3.8
71.01383	8.6
72.00899	3.3
72.99294	3.6
74.02468	36.3
82.95384	1.9
83.01381	3.1
85.02946	15.7
87.00839	2.0
87.04490	2.2
93.03434	1.4
96.96008	12.7
97.02937	5.0
98.02471	6.6
98.95596	2.6
99.00864	6.3
102.86042	1.4
111.00838	2.7
113.02425	5.2
115.03985	4.7
116.03534	8.5
116.05042	13.1
120.01289	1.6
121.02946	100.0
122.03219	2.5
129.01927	14.8
130.06615	2.1
131.07077	2.3
135.04514	2.0
137.02434	2.3
141.01851	2.6
159.02989	1.9
159.09247	1.4
161.02414	1.4
173.08156	2.4
189.05513	1.7
191.05577	15.7
193.04980	3.0
195.06581	1.6
201.10301	3.6
203.06467	2.5
203.08243	36.7
204.08536	2.0
209.06544	1.6
240.31552	2.1
241.00186	4.6
242.99936	2.3
245.09285	97.1
246.09555	4.2
274.76999	1.2
287.09326	1.9
301.91428	1.3
302.33878	1.6
313.09250	95.9
314.09427	3.6
334.64072	1.5
488.25095	3.3
562.84503	1.4
566.28235	1.4
603.15424	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	603.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.4
59.01370	37.4
61.98832	4.7
63.96381	4.0
68.99772	4.0
71.01376	9.0
72.99286	6.9
73.01120	4.3
74.02463	7.6
75.03011	4.6
82.18107	4.5
84.71861	4.8
85.02932	18.2
85.06606	7.3
85.18952	4.4
87.00883	6.0
95.30358	4.4
96.85332	4.6
96.95979	26.6
97.02921	6.6
98.55444	4.8
109.02920	4.8
113.02393	5.5
113.06070	11.2
121.02876	5.4
129.01912	19.5
131.07129	76.2
133.02908	5.0
134.03735	54.0
149.06137	6.5
151.04001	5.3
161.02376	4.4
165.05510	12.8
173.08186	35.0
179.07309	5.4
181.05006	4.6
191.05626	4.5
193.05038	92.3
194.05273	6.3
195.06577	10.4
209.06631	39.6
236.77219	4.6
247.42226	4.6
270.07666	5.8
367.73273	5.1
385.11368	100.0
386.11703	5.3
397.11200	13.8
456.99948	4.5
603.19592	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	603.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
58.02961	4.1
59.01378	6.5
68.99775	1.5
69.03439	3.8
70.02976	7.2
70.76705	3.8
71.01383	8.6
72.00899	3.3
72.99294	3.6
74.02468	36.3
82.95384	1.9
83.01381	3.1
85.02946	15.7
87.00839	2.0
87.04490	2.2
93.03434	1.4
96.96008	12.7
97.02937	5.0
98.02471	6.6
98.95596	2.6
99.00864	6.3
102.86042	1.4
111.00838	2.7
113.02425	5.2
115.03985	4.7
116.03534	8.5
116.05042	13.1
120.01289	1.6
121.02946	100.0
122.03219	2.5
129.01927	14.8
130.06615	2.1
131.07077	2.3
135.04514	2.0
137.02434	2.3
141.01851	2.6
159.02989	1.9
159.09247	1.4
161.02414	1.4
173.08156	2.4
189.05513	1.7
191.05577	15.7
193.04980	3.0
195.06581	1.6
201.10301	3.6
203.06467	2.5
203.08243	36.7
204.08536	2.0
209.06544	1.6
240.31552	2.1
241.00186	4.6
242.99936	2.3
245.09285	97.1
246.09555	4.2
274.76999	1.2
287.09326	1.9
301.91428	1.3
302.33878	1.6
313.09250	95.9
314.09427	3.6
334.64072	1.5
488.25095	3.3
562.84503	1.4
566.28235	1.4
603.15424	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	601.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12086	0.3
57.03431	0.5
59.01377	2.3
61.98827	2.0
68.44087	0.3
71.01376	2.5
71.22439	0.6
72.99309	0.4
73.02953	0.7
75.00876	0.7
77.66091	0.3
78.83678	0.3
79.95731	9.9
80.96505	4.5
83.01397	0.4
85.02947	1.2
87.00872	0.9
89.02432	0.9
95.01389	0.4
95.95206	0.6
96.96002	64.4
98.95585	1.0
99.00865	0.4
101.02441	2.3
113.02460	1.5
114.06629	0.3
116.92854	0.3
122.97536	0.3
127.06464	0.4
137.96275	0.8
138.97064	6.4
146.30391	0.3
149.93594	0.3
150.97063	0.7
164.98714	0.3
166.96526	0.5
180.98006	0.5
198.06316	0.3
198.99208	0.7
235.46107	0.4
241.00211	13.4
256.99774	0.8
259.01297	1.4
499.22092	0.7
553.26764	1.5
571.27765	1.4
601.28888	100.0
602.29169	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	602.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47150	1.2
57.19456	1.3
59.01374	3.0
61.98826	2.6
71.63269	1.6
81.84283	1.1
99.73410	1.3
175.94389	1.1
267.31821	1.5
277.21698	100.0
278.22113	4.5
312.10464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67011	0.4
59.01368	1.3
61.50153	0.4
61.98813	0.8
66.00566	0.5
67.68617	0.4
71.01381	1.5
79.95737	3.7
80.96526	1.7
85.02950	0.7
89.46329	0.4
95.95220	1.1
96.96004	63.6
98.19844	1.1
101.02430	0.9
104.12006	0.4
113.02470	0.5
138.97072	7.6
142.82396	0.4
168.98082	0.6
198.99187	3.7
229.61737	0.5
241.00157	4.1
256.99655	1.1
259.01245	1.7
347.89813	0.5
360.09866	2.1
360.59924	0.8
499.22318	0.9
553.26849	2.0
571.27655	1.2
601.28931	100.0
602.29376	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	601.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01375	24.2
61.98827	10.3
71.01388	18.9
73.02938	2.0
74.99211	0.8
83.01375	1.4
85.02945	5.4
87.00860	3.6
89.02445	18.2
93.03439	2.4
95.01382	2.4
96.95989	6.0
99.00920	1.1
101.02441	10.9
113.02438	8.5
119.03507	8.7
119.75730	0.8
121.02222	0.8
121.02927	4.5
122.03748	8.5
129.01964	1.3
130.08797	1.2
131.03474	0.8
133.02933	1.6
134.03706	1.0
135.04504	2.6
136.01646	1.4
137.02432	2.9
137.06027	1.2
143.03470	2.0
146.11929	0.9
149.02434	17.6
150.03218	58.5
151.03806	2.7
152.04881	0.8
161.02432	1.5
161.04524	5.1
162.03036	0.8
164.01221	0.9
164.04820	6.3
164.47104	1.0
165.01927	23.0
165.05560	57.1
166.02513	1.0
166.05833	1.4
175.03983	0.9
177.01913	4.5
179.03468	24.9
179.05571	3.8
180.04271	34.3
181.04759	3.0
192.04234	3.6
193.04910	2.0
194.05833	9.4
195.06610	100.0
196.06949	3.0
207.06595	4.8
210.05318	2.1
225.05635	1.6
225.07668	20.7
275.38556	1.0
301.07001	1.9
315.08759	1.6
316.09619	2.1
325.07080	1.2
331.11804	7.9
343.11731	1.4
355.11862	2.1
357.11887	21.8
358.12088	1.6
373.12863	2.1
391.13977	23.9
392.14215	1.8
421.14835	1.4
439.15988	8.0
541.21527	1.3
553.19214	27.2
554.19360	2.4
601.21246	31.1
601.30139	1.5
602.21808	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	601.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.9
61.98821	0.9
69.77608	3.3
69.83581	0.6
71.01373	1.6
76.89102	0.7
79.95728	0.8
85.02985	0.8
89.02440	2.8
89.57744	0.6
93.03447	2.3
96.96001	16.2
101.02417	1.6
108.02142	0.6
113.02480	0.8
119.03508	0.8
121.02946	1.8
122.03715	5.1
134.03735	0.8
135.04509	1.7
136.01642	0.9
137.02428	5.7
138.02760	0.6
149.02420	18.1
150.03210	49.9
151.03792	1.2
161.02568	0.7
161.04553	0.9
164.04785	5.6
165.01909	30.2
165.05548	57.0
166.02428	1.0
166.05861	1.4
179.03442	2.6
180.04265	30.5
181.04997	1.6
186.59792	0.6
194.05811	0.9
195.06604	100.0
196.06941	4.1
225.07687	2.0
243.08673	9.3
291.83551	0.6
298.80280	0.6
301.07095	2.5
316.09338	1.4
331.11795	8.5
332.12100	0.8
391.13913	15.7
421.14810	1.1
439.16037	44.2
440.16391	3.6
459.13943	1.0
529.65295	0.7
553.19318	2.8
601.21497	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	599.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.5
59.01376	25.4
62.44567	1.2
66.61694	1.3
66.88876	1.2
69.59879	8.4
71.01383	4.0
72.99312	1.7
73.25956	1.0
75.43107	1.1
79.95735	21.4
80.96509	23.5
83.01367	1.9
85.02931	1.9
87.00878	4.8
95.95226	1.8
96.96005	100.0
98.20638	1.6
99.04530	3.3
101.02438	1.8
110.97582	1.8
111.00861	11.9
113.02531	1.9
117.13653	1.1
120.95993	4.3
125.02488	1.2
129.01939	3.8
136.95493	1.5
138.97047	8.6
141.01978	2.3
148.99117	1.2
157.88089	1.3
159.02911	1.6
192.98094	2.0
201.03973	2.5
217.00323	1.3
238.98715	7.5
241.00212	10.5
253.00262	1.7
256.99731	16.9
280.99686	11.8
283.01111	6.6
299.00754	37.6
299.04187	1.9
342.99686	1.9
438.55313	1.4
513.19983	9.6
555.21088	71.5
556.21082	6.4
599.20319	89.6
600.20734	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	599.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.5
58.00601	1.0
59.01374	23.2
61.98826	6.9
68.99833	1.3
69.03465	5.5
71.01375	15.7
71.05000	1.0
71.62194	0.9
72.99303	4.3
73.02938	1.9
75.00883	1.0
79.95715	1.7
83.01382	3.0
85.02946	12.9
87.00870	5.2
87.04532	0.9
89.02433	9.3
93.03439	1.1
95.01398	1.6
96.96015	6.8
97.02942	7.6
99.00861	3.6
101.02439	7.2
111.00854	1.3
113.02436	5.7
115.04029	2.2
119.03516	2.6
129.01930	6.0
131.62704	0.8
134.03671	0.9
137.02432	1.5
141.01935	3.6
149.02559	1.3
150.03238	1.5
162.03218	1.1
165.12823	7.2
183.13890	9.4
191.05618	4.1
195.06696	1.5
209.06647	2.8
209.11781	4.2
227.12859	21.3
228.13170	1.1
228.55658	0.8
245.09358	1.1
245.13934	2.6
256.99588	1.2
315.12390	1.6
407.19122	11.1
407.74307	1.0
456.15451	0.9
549.22076	2.4
555.20868	2.5
599.25732	100.0
600.26038	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	601.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88787	0.3
57.03430	0.4
59.01374	9.3
61.98827	2.3
69.03444	0.7
69.80090	0.7
69.80507	1.1
71.01377	5.6
72.99296	0.4
73.02943	2.2
79.95730	2.8
80.96510	2.0
83.01378	1.2
83.76626	0.3
85.02933	2.1
87.00867	4.2
88.98825	0.5
89.02444	1.8
96.96001	49.3
97.02908	0.5
98.95608	0.4
99.00871	0.6
101.02422	2.8
109.02938	0.5
109.90289	0.3
111.00814	0.4
113.02433	3.6
115.03957	0.4
119.03490	0.7
121.02843	0.3
122.97595	0.6
123.04498	0.4
125.02426	0.8
129.01944	0.7
132.02151	14.0
134.03735	3.0
135.04457	0.3
136.01614	0.3
137.02415	0.4
138.97050	5.0
143.03514	0.7
146.03749	1.0
147.04454	0.6
149.02461	0.4
149.06049	0.4
150.03174	0.9
150.97073	0.7
153.01924	0.4
160.01642	56.9
161.01981	1.6
161.04514	0.7
164.04742	0.5
164.98640	0.5
165.01897	1.9
165.05539	0.7
168.98085	0.3
175.03979	100.0
176.04309	3.9
179.03520	0.4
179.07037	1.6
180.04195	0.9
182.21269	0.3
191.05595	0.5
193.04990	4.9
195.06567	2.0
203.07190	0.3
209.06557	0.3
213.05624	0.4
222.99098	0.7
225.07639	1.4
241.00200	32.8
242.00595	1.0
247.06142	0.4
255.06647	0.8
256.07346	0.9
270.08972	0.5
271.09741	2.0
301.03503	0.3
314.00629	0.4
320.15878	0.3
323.09814	0.4
327.12543	0.4
329.02975	0.9
337.09201	3.8
341.10739	1.4
344.05234	1.9
359.07758	3.0
373.12872	0.9
383.11975	4.4
425.12799	0.4
433.15033	1.0
511.17648	0.4
521.12866	0.5
541.15527	2.5
559.16815	1.7
601.08478	7.1
601.17780	8.4
601.28253	1.8
602.08954	0.7
602.18311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
59.01379	2.0
61.98835	1.5
71.01383	2.3
71.29545	0.2
71.62531	0.3
72.99307	0.5
73.02950	0.3
75.00870	0.5
78.95914	0.2
79.95734	6.6
80.96506	2.3
83.01376	0.3
85.02947	1.4
87.00868	1.0
89.02441	0.7
95.95230	3.1
96.96004	100.0
97.02930	0.4
99.00903	0.4
101.02448	1.3
103.00376	0.7
110.97571	1.9
111.00896	0.7
113.02443	0.9
121.02934	0.3
122.97578	0.4
125.02424	0.4
129.01915	0.4
134.03787	0.3
135.04552	0.3
136.01646	0.8
137.02477	0.5
138.97060	7.4
150.97086	1.1
151.04010	1.1
161.98355	0.2
163.99762	0.2
164.04759	0.2
164.98663	0.6
165.05493	0.5
168.98125	0.9
172.38243	0.2
177.04063	1.8
177.05426	0.4
177.98683	0.2
180.98114	0.6
193.05095	0.4
195.06613	0.3
198.06796	0.2
198.99153	2.7
213.00700	0.4
213.04352	0.2
222.99121	0.9
225.00661	0.5
238.98621	0.4
241.00212	15.4
242.00447	0.4
256.99731	3.2
259.01303	2.9
271.37149	0.2
435.74716	0.2
513.20007	2.3
514.73969	0.2
544.90082	0.2
555.20892	0.4
567.57324	0.3
599.14264	60.8
600.14606	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	599.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08418	1.3
57.03434	6.8
58.21809	1.6
58.66818	1.7
59.01376	25.3
61.83504	1.4
61.98820	2.3
67.01895	2.6
68.99802	3.0
69.03438	5.8
71.01369	15.0
71.62834	1.8
72.99297	6.5
83.01383	5.1
85.02943	29.2
87.00876	9.6
87.04519	2.1
89.02383	2.2
96.95992	4.5
97.02949	9.8
99.00855	6.6
101.02445	2.7
111.00864	5.6
113.02451	3.8
115.03989	5.4
121.02921	4.2
122.03679	1.9
129.01944	21.5
130.08731	1.9
134.03725	9.6
135.04512	3.0
136.01659	31.9
137.02412	2.7
141.01915	5.9
149.02420	4.9
149.06039	10.4
150.03220	20.9
151.03990	61.0
159.02995	4.3
164.04739	1.9
165.05553	26.6
166.05901	1.5
177.01837	1.6
180.04190	1.6
181.05034	5.0
191.05594	20.8
192.05902	1.9
193.05013	6.1
195.06607	9.1
209.06618	13.6
211.06061	3.4
223.06017	3.1
241.11649	1.9
251.07683	11.2
252.04248	2.6
256.07300	2.0
284.06781	3.5
299.09158	7.4
341.10211	3.6
359.11298	2.7
389.12735	1.6
407.13422	43.0
408.13733	3.0
463.15021	2.2
539.26044	2.3
567.14673	2.7
581.17737	3.6
599.19641	100.0
600.20215	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	598.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10061	0.7
56.00241	0.8
57.03445	1.2
58.83842	0.8
59.01373	7.2
61.98823	7.3
62.84642	0.8
69.51162	5.8
71.01370	6.9
72.99294	2.2
74.35938	0.9
75.00881	1.4
79.95732	61.2
80.96516	9.7
81.95329	1.6
83.01396	1.7
85.02943	3.2
86.12469	0.8
87.00880	3.8
87.04498	1.1
89.02438	3.7
95.95223	6.3
96.96004	100.0
97.02940	1.1
98.95596	1.5
99.00860	3.2
101.02443	5.2
111.00871	5.3
113.02444	3.4
117.81527	0.9
118.34453	0.8
120.01260	1.1
120.96002	0.9
121.14119	0.8
129.01906	3.0
134.03723	2.6
135.04500	2.7
138.97067	4.3
149.28995	0.9
150.03139	0.8
150.97102	1.8
154.96585	1.0
159.02982	1.5
165.05568	1.2
166.02695	1.1
166.96561	1.0
175.03998	1.9
177.05615	1.1
181.05106	1.1
203.71510	0.8
209.06633	0.9
210.09616	0.8
210.99127	1.5
222.08597	0.9
238.98689	6.1
241.00235	8.8
242.00490	1.0
245.32512	0.9
256.99677	13.7
258.00131	1.0
283.01373	1.0
291.84995	0.8
360.09875	56.3
360.60010	23.2
361.09924	6.6
463.19794	3.8
464.20172	1.4
479.19461	3.7
480.19812	1.0
511.16821	7.8
518.24255	4.0
554.18945	1.3
555.20776	1.0
581.04987	1.0
597.26605	1.2
598.19153	38.9
598.27563	4.7
599.19971	2.7
599.27625	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	597.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44199	0.5
51.62432	0.4
59.01377	2.0
61.98823	3.9
70.82901	0.4
71.01375	1.5
71.62771	0.5
71.63193	0.6
72.99310	0.5
75.00874	0.6
79.95741	4.0
80.00203	0.4
80.96510	1.0
81.03445	8.6
83.05019	35.9
83.39879	0.4
84.05364	0.6
85.02937	1.1
87.00918	0.5
88.98750	0.5
89.02417	0.9
91.42908	0.3
93.03451	0.5
94.84904	0.4
96.96001	9.8
97.02958	0.6
100.07671	4.9
101.02481	0.7
111.00890	0.9
113.02455	0.6
126.05610	0.5
129.01939	0.5
135.04527	1.2
137.02457	0.7
138.97084	0.5
145.04982	0.4
153.01909	0.5
161.02448	0.6
162.44360	0.4
169.12286	0.4
182.15436	0.5
193.05080	0.4
199.18118	6.4
207.15045	0.5
209.06564	0.5
225.16029	8.3
226.14279	0.5
238.98727	0.6
241.00099	2.0
243.17101	16.7
244.17534	0.7
256.99634	2.4
269.15112	1.1
298.10922	1.9
299.00772	0.5
308.23300	0.5
309.21780	1.5
353.20767	6.4
354.21359	0.6
367.27325	0.4
405.20456	0.5
451.32733	2.3
452.32800	0.4
469.33917	14.1
470.34045	1.0
553.19519	1.2
553.39594	0.8
579.37561	3.4
597.26031	6.2
597.38641	100.0
598.18317	0.6
598.27710	0.8
598.38959	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	597.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22737	0.7
51.85417	0.7
52.10935	0.7
52.78166	0.6
52.97791	0.7
54.65294	0.6
55.01871	0.7
57.03434	1.3
57.19796	0.8
59.01377	3.4
61.98827	7.0
68.99805	1.4
71.01375	3.5
71.14021	1.7
72.49673	0.6
72.99316	1.1
73.02945	1.3
75.00873	0.8
79.95699	3.6
80.96505	1.1
81.03450	7.7
83.01383	6.0
85.02942	3.6
85.23997	0.7
85.93302	0.7
89.02452	1.7
93.03458	4.1
95.01398	2.9
95.05025	5.4
96.96003	9.5
97.02927	6.7
99.04524	1.8
101.02458	1.5
107.05030	2.0
109.02944	2.9
111.00848	1.3
111.04510	2.6
113.02447	2.5
119.05017	6.6
121.02969	3.3
121.06590	1.8
123.03607	0.9
123.04512	15.2
125.02419	9.9
135.04509	3.3
137.02438	5.9
137.06064	6.5
138.97067	0.7
139.04016	8.5
147.04497	3.7
149.02411	1.2
149.06097	2.2
150.03238	1.3
151.03969	4.2
151.07671	0.9
153.01903	1.3
153.05566	2.0
155.03477	1.2
161.06036	1.6
163.04002	3.5
163.07655	1.2
164.04764	1.0
165.01953	3.8
165.05582	6.0
166.02628	1.4
167.03485	25.0
168.03815	0.9
175.03958	1.5
177.01881	1.3
177.05542	2.4
179.03502	6.7
179.07077	1.0
180.04225	2.0
181.05026	2.8
189.05553	5.8
191.03468	2.3
193.05040	3.5
195.03082	0.8
195.06610	2.2
197.04579	4.5
205.04976	1.4
207.06624	1.7
209.04541	25.8
209.06532	1.9
210.04927	1.2
219.02994	1.6
221.04523	5.7
223.06061	1.3
225.07652	2.1
229.08694	0.9
231.06506	1.0
235.06030	1.3
239.05595	11.1
241.00302	0.9
251.05537	4.2
256.99725	1.6
263.05521	1.5
267.11151	0.9
269.06659	1.6
273.07645	3.7
280.99872	0.8
285.07635	1.3
293.06888	0.9
299.00909	0.7
299.74088	0.8
311.10556	1.0
315.08731	16.3
316.09222	1.1
327.08691	5.1
341.10202	1.2
345.09772	7.0
357.09760	100.0
358.10056	7.1
369.10013	4.5
371.11179	1.5
387.10806	68.9
388.11240	5.0
399.10995	3.6
405.12198	0.8
417.11850	22.5
418.12216	2.1
429.11868	2.0
441.11819	0.8
459.13007	9.5
460.13239	1.3
477.13904	21.4
478.14322	2.4
489.13937	6.3
507.15213	3.3
537.30737	1.0
553.19489	3.8
565.16449	4.2
579.17450	2.6
597.18353	17.5
597.26672	4.8
598.18463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06782	0.6
55.01888	0.8
57.03440	0.8
57.32323	0.6
59.01374	7.7
71.01373	4.6
71.63014	1.4
73.02941	2.7
83.01392	1.9
85.02962	2.7
87.00872	10.3
93.03457	2.8
95.01389	0.7
96.95998	6.2
97.02969	1.1
99.00883	2.5
100.01659	2.8
101.02447	2.1
104.71780	0.7
109.02905	0.9
109.34739	0.6
111.00896	8.4
112.98811	3.6
113.02470	0.8
119.03483	0.7
121.02956	2.7
122.03744	8.4
123.00896	3.6
123.04552	1.0
129.01862	0.7
130.02722	1.1
133.02977	2.5
134.03770	1.4
135.04491	1.4
136.01651	1.7
137.02432	1.9
138.03204	0.8
142.99849	2.8
146.03738	1.6
147.04469	0.7
149.02423	16.2
150.03215	78.9
151.00398	1.8
151.03995	3.8
152.01117	1.3
153.01967	1.4
153.05634	0.9
161.02412	3.9
163.03981	2.6
164.04781	7.2
165.05551	100.0
166.02756	3.3
166.05809	3.7
168.89508	0.8
173.00885	4.7
173.02190	0.7
174.01678	3.7
175.03940	1.6
176.04771	3.1
177.05479	1.1
178.06331	2.0
179.03491	3.4
179.07094	6.4
180.04286	7.4
181.05031	5.6
189.05508	1.0
190.02678	1.4
191.03508	3.5
191.07198	2.0
193.05040	25.8
193.08643	1.2
194.05779	3.4
195.06596	44.3
196.06897	1.6
203.03491	1.7
205.05116	2.7
206.05742	1.9
207.06516	0.9
209.06516	1.1
209.08224	3.8
219.03137	0.9
221.04399	0.8
221.08194	4.6
234.05368	1.8
235.06137	1.2
241.00130	3.8
247.02441	2.2
247.06010	0.8
249.03923	1.3
249.07710	1.8
256.99896	0.9
261.04025	2.1
262.04745	4.3
263.05524	1.6
264.06351	3.3
265.07135	4.5
276.06381	2.1
277.07141	8.8
291.08688	0.9
295.08069	1.6
307.29269	0.8
307.50519	0.7
312.10132	2.1
327.12360	7.9
328.12625	1.0
337.09262	26.2
338.09583	1.7
355.10489	5.3
375.14359	3.9
379.10629	0.7
461.14526	20.5
462.15137	1.8
473.14606	2.0
484.30627	0.8
491.15475	1.3
521.16766	2.9
533.16748	3.5
552.40686	0.9
565.17065	1.4
579.17047	13.3
580.17279	0.8
597.18225	87.7
598.18677	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	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01363	1.8
61.98822	3.5
69.03428	0.8
71.01379	3.9
72.99309	1.4
73.02931	2.7
78.95914	0.5
81.03456	1.5
83.01389	4.5
85.02940	3.2
85.83188	0.6
87.00872	22.8
93.03436	2.0
96.95985	2.9
97.02941	1.2
98.20655	1.2
99.00875	3.2
100.01688	1.6
101.02423	1.6
109.02950	1.3
110.00073	1.1
111.00874	26.1
112.98806	0.6
113.02458	0.9
115.00368	0.7
121.02920	3.0
122.03728	8.1
123.04493	1.7
129.01877	2.2
131.03458	1.2
133.02943	1.5
135.04503	0.9
136.01654	0.8
137.02432	0.9
138.03230	1.1
147.02965	1.5
147.04320	0.6
149.02429	16.6
150.03212	61.4
151.00351	1.3
151.03993	7.7
153.05553	1.5
155.31012	0.7
161.02435	3.0
163.03981	0.7
164.04771	8.6
165.05556	68.0
166.02701	2.1
166.05914	1.8
168.04181	0.8
173.00824	1.2
174.05328	0.6
175.03931	0.8
176.04755	2.2
177.01823	1.1
177.05542	0.6
178.02675	0.7
178.06355	1.1
179.03519	5.2
179.07117	7.8
180.04250	6.3
180.07504	0.7
181.05016	4.8
190.02707	0.8
191.01884	2.1
191.03481	1.6
191.07088	1.5
192.04288	1.2
193.05016	2.7
193.08607	1.0
194.05841	4.8
195.06607	21.8
196.63235	0.6
204.04333	1.0
205.01450	1.0
205.04988	2.4
206.05731	1.1
209.08191	5.7
219.02951	1.4
219.06589	2.5
220.03645	0.7
221.08231	1.8
222.05385	0.8
227.69582	0.8
230.01941	0.6
233.04437	1.0
234.05295	1.8
235.06038	1.2
237.07642	0.8
246.05219	1.1
247.06114	1.2
249.04057	2.8
249.07628	6.0
250.04678	1.3
261.07645	0.9
261.97366	0.7
262.04797	1.0
263.05630	0.8
264.06339	10.3
265.07074	6.9
276.06381	0.9
277.07153	1.4
279.08670	1.1
280.12717	0.9
291.08682	2.1
321.09589	0.9
337.09244	7.6
357.13400	1.1
369.13388	1.1
385.12823	0.9
397.12415	0.8
400.09998	0.9
407.52576	0.7
413.12424	7.0
433.14426	1.0
445.15457	0.7
461.14450	42.4
462.15085	3.3
473.14490	1.9
487.15955	2.4
505.16986	2.3
517.16852	0.9
521.16693	4.9
579.17053	8.9
597.18146	100.0
598.18591	9.4
619.46381	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22313	0.8
51.96802	0.9
55.01883	1.0
59.01362	3.3
69.65024	6.0
71.01367	7.2
72.99290	1.6
73.02941	3.6
81.70885	0.8
83.01388	2.5
85.02951	3.7
87.00871	23.9
88.67722	0.9
93.03461	1.9
95.01395	0.8
96.96024	1.6
97.02914	1.1
99.00880	4.4
100.01660	2.8
101.02427	3.0
105.03471	1.5
109.02927	1.4
111.00868	15.8
112.98803	3.3
121.02962	2.9
122.03730	9.0
123.00878	6.1
124.01727	0.8
125.02519	0.9
126.34381	0.9
127.04002	1.0
129.01962	1.1
130.02762	1.1
133.02954	1.5
135.04497	1.0
136.01624	1.4
137.02495	1.2
138.03212	1.4
142.99887	2.7
149.02429	21.3
150.03217	83.3
151.00398	1.9
151.04012	5.3
153.05586	1.7
161.02441	3.6
163.03995	4.6
164.04802	10.5
165.05559	90.2
166.02711	3.0
166.05916	2.6
173.00882	6.8
174.01633	3.1
175.03951	2.5
176.04755	4.5
177.01849	1.0
177.05479	1.3
178.06332	2.4
179.03496	5.6
179.07135	6.1
180.04295	7.1
181.05072	8.3
188.04787	1.0
190.02702	2.2
191.03461	4.0
191.07138	2.3
192.04140	1.2
193.08694	1.7
194.05800	5.8
195.06613	35.2
196.06979	1.4
203.03503	1.7
205.05038	4.1
206.05901	4.4
209.08235	6.1
219.03084	1.8
221.04501	1.1
221.08153	5.0
222.08516	1.3
231.02888	1.1
234.05322	3.0
246.01527	0.9
246.05331	1.2
247.02495	4.2
247.05957	1.2
249.04066	1.7
249.07675	3.8
261.03955	3.3
262.04800	5.8
263.05377	1.4
264.06485	5.0
265.07111	5.4
266.08032	1.0
276.06323	3.1
277.07187	10.9
322.07477	1.2
325.09283	1.1
336.09613	1.0
337.09244	26.6
338.09525	2.1
366.38669	1.0
369.13284	7.5
397.12991	1.4
413.12378	3.3
443.13361	2.0
461.14453	27.1
462.14600	2.5
473.14453	2.9
485.14194	2.0
491.15652	2.2
521.16431	3.3
533.16534	8.6
575.62219	1.0
579.17157	17.1
580.17377	1.1
597.18176	100.0
598.18646	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	729.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01864	1.6
57.03422	0.8
58.12097	0.4
65.03941	11.5
66.94652	0.4
67.05495	1.9
69.03430	1.5
70.06595	1.1
71.12756	0.8
78.04704	1.4
79.05493	3.4
81.03419	1.1
82.04204	1.5
83.23811	0.4
84.08148	0.5
85.02920	3.1
86.09722	0.8
91.05481	4.8
93.03411	10.8
94.04202	0.6
95.01348	2.4
95.04944	2.1
97.02910	1.2
97.06530	0.6
103.05453	2.2
105.03430	0.5
105.04484	0.7
105.07033	6.0
106.04155	0.9
107.04969	6.3
108.02094	0.9
109.02869	0.5
109.06551	0.6
110.03667	11.7
111.04445	10.4
111.05197	0.6
115.05473	2.6
117.07014	1.0
118.04148	1.5
119.04956	5.3
119.08565	1.2
121.02857	0.6
121.06481	0.9
122.03623	0.9
123.04440	2.7
124.05219	2.0
125.05997	15.6
127.03867	0.6
128.06224	2.5
129.06992	4.5
130.04137	0.6
131.04932	4.1
132.05678	1.4
133.02863	1.5
133.06493	4.1
134.03667	0.5
135.04427	1.0
136.05197	0.7
137.05981	8.0
138.03133	1.3
143.04980	0.8
143.06000	0.4
144.05724	1.3
145.06505	2.4
146.07240	0.8
147.04417	6.9
147.08046	1.7
148.79565	0.4
149.05974	1.8
151.03902	1.3
151.07530	1.5
152.04691	1.3
153.05469	68.5
154.05870	0.7
155.04922	1.2
155.06030	0.6
156.05788	0.7
157.06487	0.9
159.08070	6.1
160.05225	1.2
161.05977	6.6
162.06784	0.8
163.03946	1.1
163.07520	1.4
165.05589	0.6
165.06992	1.4
167.07043	40.0
168.07370	0.6
171.04395	0.9
171.08090	0.7
172.05249	1.4
173.06017	1.2
175.04108	0.6
175.07547	10.5
176.04774	0.5
177.05518	2.9
178.07773	1.8
179.07043	4.0
179.08524	0.8
181.04980	0.5
181.06429	0.8
183.04353	0.4
184.05191	0.9
185.05988	2.1
186.06772	3.2
187.07539	9.5
189.05464	4.5
189.07016	2.3
189.09064	1.2
190.06241	0.8
190.07806	2.6
191.06996	3.2
191.08588	4.1
192.09348	0.8
193.06586	0.6
193.10155	0.8
194.07222	0.9
195.08076	0.6
198.06769	1.3
199.07542	4.7
201.05406	0.7
202.07823	3.6
203.06914	0.7
203.08568	4.4
204.09413	0.5
205.06473	2.4
205.10162	0.7
206.07271	3.3
207.06479	1.5
207.08141	2.3
208.08791	2.0
209.08012	0.6
209.09764	0.7
214.06270	1.4
215.06998	1.2
215.08647	1.5
216.07796	8.3
217.06432	1.3
217.08287	0.5
218.07263	4.9
219.08064	8.5
220.08818	4.3
221.06042	2.6
221.09656	3.7
222.06789	0.8
223.07579	1.3
223.11122	0.6
225.09190	0.6
229.06546	1.0
229.08606	7.5
230.07329	0.8
231.08073	4.2
232.08891	1.5
233.05995	3.1
233.09671	3.5
234.06792	4.2
235.07545	6.0
236.08310	5.4
237.05542	0.5
237.09062	2.5
239.07169	0.6
243.08119	0.8
245.06010	1.2
246.06818	2.7
247.07524	5.9
248.08406	4.4
249.05521	1.1
249.09119	7.2
250.06248	1.2
250.09897	1.8
251.07117	2.3
251.10667	12.4
252.11107	0.6
253.08659	1.7
257.05902	0.7
258.06927	0.7
259.07535	2.9
260.08420	2.0
261.05585	2.7
261.09079	4.7
262.06143	2.1
262.09824	0.9
263.07047	4.0
263.10559	2.9
264.07822	10.5
265.08600	9.1
265.11688	0.8
266.09189	1.6
267.10245	1.0
267.97644	0.5
274.06259	1.2
275.07104	3.6
276.07819	9.2
277.08557	6.2
278.09338	4.8
279.06851	0.8
279.10126	8.7
280.07523	0.9
280.10931	1.6
281.08096	2.4
281.11771	4.2
283.09885	0.6
283.13095	0.7
288.07895	1.5
289.08521	3.9
290.09348	1.8
291.06628	1.1
291.10150	4.5
292.07303	3.3
292.10806	1.1
293.08109	5.8
293.11700	1.6
294.08896	2.5
295.09671	1.8
295.12949	0.6
296.10471	1.4
303.10025	1.0
304.07391	2.0
305.08002	2.4
305.11533	1.0
306.08847	3.0
307.09644	37.6
308.10370	7.5
309.07761	0.8
309.11160	5.5
311.09375	0.9
311.12756	2.3
318.08972	0.7
319.09653	8.7
320.10410	2.0
321.07959	0.7
321.11279	4.6
322.12152	0.9
323.09235	0.8
323.12772	5.8
324.09933	1.8
324.13452	0.9
325.14304	0.8
326.11581	1.0
327.12262	0.7
336.09888	1.3
336.13550	0.5
337.10703	2.1
337.14291	0.9
338.11395	0.8
339.12274	100.0
340.12650	3.3
341.13861	12.1
351.12259	32.0
352.12897	1.8
353.13885	4.7
369.13327	2.9
436.97757	0.6
461.11761	0.5
499.17532	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.6
53.03947	7.6
54.87339	1.1
55.01877	5.9
56.05038	1.3
57.03439	9.2
60.30685	1.0
61.02925	4.5
66.21347	1.1
67.05519	1.6
69.03432	52.7
69.07056	1.3
69.26988	3.0
69.27412	6.2
70.06593	16.8
71.01338	6.0
71.04994	7.7
72.08156	4.6
73.02928	12.3
81.03422	35.6
83.01332	1.5
84.04502	1.7
84.08142	6.5
85.02908	100.0
86.09706	4.3
87.04485	2.9
89.03893	1.5
89.65074	1.0
91.05517	2.1
93.07068	1.1
95.04996	1.8
97.02897	58.5
99.00814	25.4
99.04449	18.1
99.05045	1.8
101.02386	2.9
101.85123	1.0
107.04947	2.1
107.41022	1.1
109.02881	64.3
110.07159	2.9
111.04456	1.0
115.03918	2.0
117.01855	4.6
117.03386	2.5
119.04964	1.1
123.04396	1.9
127.03922	83.0
128.04332	1.3
129.10248	3.7
133.02863	1.7
136.07602	1.4
137.06007	6.9
142.85260	1.1
145.02884	4.4
145.04961	20.9
151.03889	3.9
153.05547	1.4
163.03897	3.7
167.07059	5.4
169.13307	1.3
177.05470	10.9
179.03421	1.4
195.02869	2.5
207.06497	2.9
207.08206	1.9
225.04041	5.4
234.06787	2.2
235.07578	3.2
237.14436	1.4
238.15939	2.2
243.04990	33.3
246.14995	3.6
246.65074	1.2
251.07072	1.2
261.06058	23.0
262.06448	1.2
263.06998	2.6
267.10266	2.2
277.08456	1.3
279.06638	1.1
280.07156	1.3
288.09900	1.4
295.09616	4.3
297.03922	5.3
302.11490	4.8
303.12466	4.0
308.06842	2.5
309.07550	2.8
311.09021	2.1
321.06323	1.2
323.09091	9.9
324.09882	1.8
338.11597	4.1
339.07175	6.9
351.12347	4.2
355.11896	9.1
357.08179	2.6
359.09329	1.4
368.08963	3.1
369.08017	3.7
383.11240	9.8
387.09253	18.5
401.12500	2.1
405.10321	29.1
423.11166	5.2
460.94446	1.3
463.14188	1.8
472.82104	1.5
473.12103	2.2
491.13052	1.9
616.82892	1.2
725.25964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53299	0.8
55.05515	1.0
55.77086	0.7
56.96305	1.4
56.96571	24.5
67.05494	1.1
69.20944	4.5
69.21367	2.6
70.06591	2.7
71.95252	2.3
72.08154	1.1
72.96043	1.7
74.97574	0.8
79.05486	2.2
81.07074	3.7
84.08141	1.9
84.96039	98.2
85.02882	1.1
86.09698	1.9
89.03919	0.9
91.05470	1.8
91.44861	0.7
93.07049	3.1
95.04944	1.1
95.08600	2.0
97.96844	1.0
98.97601	6.3
102.97070	7.2
105.07035	2.8
107.04940	1.0
107.08571	2.1
109.06441	0.8
109.10202	1.1
110.97589	1.8
112.99168	1.0
116.98615	2.2
117.03398	1.6
119.08583	3.6
120.98134	1.4
121.06498	0.8
121.10159	4.7
124.99149	0.9
125.98627	1.1
128.98611	2.1
129.10161	1.2
131.00160	1.9
131.08646	0.9
133.10104	2.3
134.90163	0.7
135.11731	0.8
137.02750	1.1
137.06009	1.7
143.00237	0.8
143.08597	1.0
145.02840	2.5
149.06020	1.1
151.04221	0.9
153.02274	1.3
155.00200	1.2
155.03758	1.8
156.00958	2.0
157.10135	1.1
158.99667	18.2
159.11601	0.9
161.01308	1.0
163.03807	1.0
165.02290	2.1
167.07036	1.4
169.01692	1.3
170.99585	1.0
171.03337	1.6
173.01260	2.9
174.02028	2.3
175.02771	1.9
177.00728	18.2
177.05476	4.7
179.03828	1.3
180.00932	8.8
181.01683	1.2
181.05122	0.9
183.03339	2.6
185.01260	1.1
191.07404	1.1
195.01720	1.0
195.03391	0.8
195.06984	1.2
196.74698	0.8
197.04909	1.1
198.02037	14.8
199.02817	1.7
200.02374	2.2
205.05383	1.5
207.03357	1.8
209.04861	1.4
209.08322	1.0
211.06406	1.6
216.03072	1.3
219.01749	4.9
223.06274	1.3
224.03656	1.0
225.04359	2.6
225.07916	1.0
235.09924	0.8
237.02740	5.3
237.07993	2.1
252.06847	1.7
253.07661	1.6
259.10114	0.8
265.02130	0.9
269.12170	8.6
273.11478	4.0
285.11597	4.3
287.13199	22.4
287.16330	1.4
289.11295	1.4
289.14539	1.0
291.12692	26.1
303.12616	3.8
305.14166	5.7
309.13760	27.5
309.71082	0.8
310.14713	1.1
314.14328	2.1
315.12686	84.4
316.12973	1.0
317.14001	1.2
319.12344	1.6
323.15408	1.1
332.15179	1.0
333.13736	95.7
334.13901	2.2
345.13751	28.3
347.15244	2.3
351.14838	14.0
356.15375	3.8
358.06799	0.8
361.16873	2.7
363.14777	10.0
371.15283	1.7
373.17099	1.2
374.16525	3.3
381.16083	1.4
386.16293	1.9
389.16321	29.2
407.17444	1.6
417.15805	0.9
419.17566	1.0
435.17023	1.6
447.16940	100.0
448.17340	2.1
449.18433	3.5
465.18015	48.2
466.17828	0.9
467.20087	0.9
473.02679	0.8
477.17883	1.0
483.19089	17.9
488.19974	4.5
501.20367	1.9
506.20773	2.8
507.19000	18.7
525.19824	1.5
533.83667	0.8
545.13531	6.5
563.14502	1.8
567.21252	5.3
585.22223	6.0
591.28162	0.9
609.22278	10.8
627.23285	12.9
636.69165	0.8
645.24371	22.1
646.24695	1.3
689.17590	3.2
707.18982	16.6
725.19885	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.6
61.02935	13.8
63.70505	2.6
66.52167	2.6
67.05512	30.8
69.03425	3.2
69.07063	8.1
69.85419	9.6
73.02917	4.2
79.05489	15.3
81.07067	45.8
83.08618	4.5
85.02908	20.0
91.03967	17.9
91.05475	10.9
93.07052	19.9
95.08611	32.9
97.02890	9.7
97.10178	4.1
98.20876	3.2
105.07029	10.6
107.08615	17.2
109.10171	21.2
111.08070	2.6
117.07030	5.6
119.08590	10.5
121.10152	16.5
123.11705	15.3
127.03910	5.4
130.23579	2.2
131.08569	8.8
133.10136	8.0
135.11685	14.2
137.09665	2.6
137.13268	5.9
145.04997	10.9
145.10068	8.3
147.11671	8.5
149.13263	13.4
159.11682	9.2
161.13275	7.7
163.06058	17.9
163.14838	13.4
173.13251	9.8
175.14937	2.9
177.16457	4.6
179.14326	4.2
187.14833	9.1
189.16339	3.0
191.14455	2.6
201.16306	4.0
233.22713	3.5
243.21118	37.4
261.22147	100.0
279.23349	5.8
335.25827	31.8
353.26840	64.7
443.28815	2.8
559.00885	2.6
608.75964	2.4
722.42926	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	718.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02409	0.5
51.68723	0.4
52.03192	0.5
53.03949	1.9
55.01875	2.3
55.05519	0.6
56.77571	0.5
65.03943	2.6
67.05508	2.0
69.03430	0.9
69.07059	0.7
70.06595	5.7
71.05016	0.6
72.08157	2.0
74.06080	0.5
75.04489	1.6
77.03931	0.9
78.04719	1.5
79.05488	4.5
81.03426	2.4
81.07043	1.2
82.04221	1.1
84.04522	0.7
84.08140	2.3
85.02907	3.5
86.09705	2.4
89.03928	1.7
91.05486	9.4
93.03412	5.3
93.07039	2.8
94.04178	1.9
95.04969	4.6
95.08633	0.8
97.02918	0.6
97.06527	1.9
101.26209	0.4
102.04714	0.6
103.05467	21.4
105.03420	1.4
105.04498	0.7
105.07042	4.6
106.02921	2.1
106.04177	8.7
107.04957	8.3
107.08564	0.6
108.02113	1.3
109.02885	0.5
109.06513	1.6
110.03667	1.0
110.07150	0.8
111.04461	1.7
115.05462	4.1
116.06187	0.5
117.03362	2.9
117.07004	3.8
118.04198	3.9
119.04961	5.2
120.05749	0.8
120.08113	1.6
121.02923	0.6
121.06509	12.4
122.03642	3.6
123.04424	3.9
124.03925	1.9
124.05280	0.8
125.06004	5.1
127.03915	0.5
128.06221	0.6
129.05550	0.6
129.07011	1.4
129.10197	1.1
130.04140	0.8
131.04929	30.6
131.08604	0.7
132.05698	1.4
133.02827	3.1
133.06503	5.3
134.03622	2.2
135.04428	1.8
135.08049	2.6
136.05196	0.6
136.07587	0.8
137.05978	54.6
138.05478	1.7
138.06456	0.6
138.09219	0.5
139.07555	1.6
141.05405	0.7
142.02670	0.9
143.04919	1.4
144.05708	1.4
145.02853	4.1
145.06491	4.6
146.03632	1.3
147.04401	4.3
147.08006	1.3
148.05199	10.1
149.00623	0.5
149.05983	18.9
151.03911	54.9
151.04994	3.5
151.07481	3.1
152.04547	1.2
153.05489	3.3
153.09076	4.5
155.06013	0.7
155.08107	0.5
157.06479	1.6
159.04349	1.1
159.08026	1.3
160.05214	2.2
161.05980	5.8
162.01288	1.2
162.06725	0.6
163.03889	2.5
163.07545	22.7
165.05495	3.5
165.06802	0.8
167.07043	30.8
168.07367	1.0
171.04395	1.1
171.06558	0.7
172.05170	0.7
173.05989	4.9
174.06735	1.6
175.07568	6.8
176.04692	2.7
177.05475	22.5
177.09085	0.9
178.05803	2.6
179.01678	0.6
179.07079	2.3
181.04958	36.0
181.08546	10.1
182.05389	0.8
185.05994	0.5
187.07578	3.2
189.05470	1.2
189.09120	1.7
190.00880	0.9
190.06207	1.1
191.07031	100.0
192.07640	2.5
193.03185	5.2
193.04926	1.3
193.08627	3.2
194.08127	0.5
195.06509	3.3
195.08109	0.7
199.07448	0.6
201.05392	2.2
201.08922	0.5
203.06993	3.0
205.04929	1.9
205.06693	0.8
205.08517	3.9
207.06467	1.3
207.08170	0.9
207.10182	1.1
209.08087	65.5
210.08575	0.8
217.08582	1.4
219.10120	3.1
221.07945	0.8
223.04248	10.5
223.07561	0.9
223.09715	1.2
225.07352	0.7
227.06898	0.5
231.06468	1.3
233.06021	0.7
233.08052	3.6
234.06754	1.1
235.07550	1.1
235.09607	4.4
236.08171	0.6
237.08986	1.2
245.08067	1.0
247.07451	0.8
249.05305	0.5
249.09052	1.1
251.06973	1.3
253.08604	0.5
257.07990	0.6
259.09589	0.7
263.09161	21.9
265.08469	1.5
267.10092	1.5
277.08563	1.7
279.07022	0.7
279.10141	1.4
281.11453	0.5
282.08200	1.0
292.07361	0.9
293.08044	1.4
294.08673	1.0
295.09613	1.3
297.11072	1.9
298.09207	1.4
299.12802	0.9
300.09186	0.9
307.09634	1.4
309.11148	1.2
311.12662	0.9
312.09055	1.6
323.09079	1.0
325.10632	2.8
327.12204	2.2
329.13779	1.8
337.10580	1.9
339.12222	1.8
351.12018	1.1
355.11816	5.3
357.13312	3.5
359.14584	1.4
367.11649	1.1
369.13312	2.4
371.14709	0.7
385.12799	6.4
387.14371	23.2
388.14557	0.7
399.14136	1.1
417.10110	0.7
417.15421	9.6
520.14124	2.4
547.19281	1.5
579.22229	0.8
718.46210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.03941	1.5
55.01868	2.5
56.05022	0.6
60.03119	0.6
60.04526	0.5
65.03938	3.6
67.05490	2.0
68.99774	0.6
69.03423	1.5
70.06597	8.4
71.04983	1.1
71.51864	0.8
72.08159	2.6
73.39568	0.5
75.04478	2.1
77.03924	0.6
78.04700	2.0
79.05484	4.1
81.03403	1.9
81.07034	0.8
84.04497	1.0
84.08141	2.2
85.02903	3.9
86.09701	3.6
89.03899	1.2
91.05484	8.9
93.03416	5.1
93.07033	2.7
94.04193	1.0
95.04977	4.8
95.08585	0.8
96.25440	0.5
97.02891	1.1
97.06517	1.6
102.04691	0.9
102.05489	0.8
103.05468	20.6
103.47861	0.5
105.03394	1.6
105.04518	0.8
105.07031	4.4
106.02950	0.5
106.04184	9.8
107.04961	6.7
107.67039	0.4
108.02129	1.1
109.06525	1.5
110.03635	1.4
110.07182	0.8
111.04422	1.2
115.05453	4.2
117.03358	2.2
117.06985	3.7
118.04153	4.5
119.04939	4.4
120.05736	0.8
120.08100	2.0
121.02919	0.7
121.06511	14.8
122.03622	3.8
123.04402	2.4
123.08000	0.6
124.05221	0.6
125.05991	6.1
128.06224	1.2
129.07004	1.2
129.10228	2.1
130.04141	1.2
131.04932	33.4
131.08603	0.7
132.05672	1.2
133.02859	2.6
133.06497	5.2
134.03598	2.6
135.04378	2.3
135.08035	1.7
136.07521	0.6
137.05977	53.6
138.09129	1.0
139.07513	1.1
141.05531	0.8
142.02670	0.8
143.04927	1.6
144.05685	1.3
145.02861	4.3
145.06482	4.0
146.03604	1.2
147.04413	3.1
147.08037	1.3
148.05191	11.1
149.05984	20.9
151.03909	65.0
151.04996	4.2
151.07539	2.3
152.04588	0.7
152.08212	0.7
153.05479	2.9
153.09125	4.4
154.06276	0.6
157.06499	1.3
159.04385	1.0
159.08060	0.9
160.05196	2.2
161.05980	4.8
162.01369	1.7
162.06718	1.2
163.03940	2.9
163.07552	23.2
165.05502	3.2
165.06821	0.8
165.09065	0.7
166.06288	0.6
167.07042	25.4
171.04459	0.7
173.05994	4.0
174.06740	0.8
175.04039	0.5
175.07533	4.4
176.04697	2.8
177.05463	21.5
177.09045	1.3
178.05984	1.0
179.01654	1.0
179.07005	2.6
179.08481	1.0
181.04964	32.0
181.08569	11.8
182.53366	0.5
187.06125	0.6
187.07516	3.4
188.08365	0.5
189.05394	1.1
189.09059	1.1
190.00894	0.6
190.06316	1.1
191.07031	100.0
192.07814	2.4
193.03191	4.5
193.04871	0.8
193.08633	3.2
195.05005	0.6
195.06445	2.9
199.07658	0.5
201.05423	2.2
203.07048	3.4
205.06606	1.4
205.08620	3.8
207.06454	1.0
207.08296	0.7
207.10170	1.3
208.01979	0.6
209.08092	73.9
210.08498	0.8
217.06564	0.8
217.08502	1.4
219.08183	1.1
219.10185	2.8
221.05856	0.5
221.07997	1.1
223.04247	12.9
223.07570	0.8
223.09669	1.2
231.06482	1.9
233.06017	1.0
233.08017	3.4
234.06807	1.1
234.08958	0.5
235.07413	1.2
235.09662	4.4
237.09137	2.1
245.08017	1.2
247.07413	0.8
249.09064	1.2
249.11356	0.7
250.06288	1.3
251.07109	1.2
252.07796	0.6
257.08118	0.7
259.09738	0.8
261.05478	0.6
263.06622	1.2
263.09174	19.1
264.07703	0.8
265.08609	1.8
267.10156	2.0
277.08752	1.4
279.06558	0.7
279.10117	1.4
281.11996	0.5
282.08231	0.8
293.08170	1.4
295.06345	0.6
295.09579	1.6
297.11362	0.9
299.12747	1.1
300.09058	0.6
305.08246	0.7
307.09360	0.8
309.07761	0.6
309.11111	1.3
311.12674	0.7
312.08945	2.1
323.09213	1.2
324.09677	0.6
325.10672	2.3
327.12122	2.2
329.13840	2.3
337.10651	1.8
339.12415	1.0
341.13974	1.2
351.12228	1.5
353.09891	0.7
355.11761	6.5
357.13434	2.8
359.14871	1.1
369.13376	3.0
385.12759	3.6
387.14401	25.7
399.14371	0.8
417.15378	4.2
460.17474	0.7
547.18970	0.6
579.21729	1.1
718.25153	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81550	0.3
53.03912	0.2
55.55248	0.2
66.70277	0.2
69.03405	0.4
69.69100	1.3
70.06596	2.2
72.08173	1.3
77.52485	0.3
79.05441	0.3
81.03368	0.2
81.07043	0.2
84.08143	1.1
85.02860	0.4
86.09695	1.2
91.05495	1.2
95.04951	0.3
96.42464	0.2
97.02837	0.2
98.21461	0.3
101.07093	0.2
103.05406	0.4
104.04946	0.4
105.07070	0.3
107.04940	0.6
110.07113	0.5
115.05408	0.8
117.03283	0.4
117.06973	0.3
119.04922	0.5
120.08105	0.3
121.06456	0.8
123.04417	0.3
125.05939	0.3
129.10188	0.6
131.04898	0.5
132.04457	1.8
134.05954	0.5
136.07571	0.6
137.05988	4.2
138.06313	0.4
141.03358	1.6
143.04906	0.4
145.02827	1.2
145.06433	0.5
147.04375	0.3
149.04773	0.5
149.05937	1.7
151.03931	2.3
151.07472	0.6
160.03888	1.9
160.05115	0.5
161.05933	0.4
163.03917	0.5
164.07057	0.3
166.08612	1.0
167.07062	1.4
171.04358	0.3
173.05940	0.6
174.05482	0.8
177.04184	0.8
177.05583	1.5
178.05786	0.3
179.07060	0.3
179.08551	0.3
181.04890	0.6
191.07025	1.9
192.06607	4.6
201.05362	31.2
202.05751	0.5
205.06451	0.6
205.08362	0.3
207.08058	0.5
209.05972	0.3
215.10417	0.2
220.05211	7.5
221.05853	0.8
221.07845	0.3
222.06764	0.4
226.04872	1.5
231.04372	0.4
231.06523	5.3
233.05971	0.5
234.06778	0.7
235.07549	20.2
236.07945	0.4
237.05505	1.8
237.09088	1.0
244.06064	1.1
248.04701	6.2
249.05496	1.7
250.06125	0.7
251.07019	0.7
252.07840	0.9
259.09634	0.3
260.04678	0.8
262.06006	0.4
263.07047	26.9
264.07797	2.1
265.04953	6.0
265.08575	2.6
267.06543	0.4
276.04367	0.5
277.08572	0.3
279.06500	0.3
280.07318	10.6
282.08972	1.7
289.08359	0.3
291.06522	8.3
291.09787	0.5
292.07178	0.7
293.08057	0.6
294.08789	0.4
295.09564	2.1
297.11194	1.4
299.09174	1.1
300.12271	0.6
306.05017	0.3
307.09467	0.5
308.06720	3.3
308.09851	0.3
312.06210	0.6
313.10681	4.2
316.09195	0.2
321.07578	1.6
321.11221	0.6
323.09134	100.0
324.09131	1.7
324.12424	0.8
327.08673	1.0
349.09491	0.3
350.10074	0.4
351.11581	0.3
352.11798	0.9
353.10031	1.7
355.11707	0.6
359.08093	0.4
359.14847	0.4
364.11771	1.1
366.13245	0.3
374.10175	0.8
380.11618	0.4
382.12982	0.4
383.11188	0.3
385.12286	0.3
392.11237	5.7
393.11255	0.3
411.10925	1.1
429.11792	1.1
471.14465	0.4
488.17084	20.8
489.17194	0.4
491.12573	0.3
491.19077	0.3
516.16565	51.4
517.16919	1.6
518.18378	0.3
534.18097	1.8
537.21814	0.3
546.17432	1.1
627.71906	0.3
681.24255	2.0
699.25269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
53.15266	0.6
55.05515	9.9
56.05025	2.0
57.07083	5.4
59.95423	0.6
60.04531	20.4
67.05511	17.3
69.07070	13.1
70.06597	3.9
71.05128	1.0
71.08645	3.0
71.96043	0.6
72.04510	0.7
79.05499	14.3
81.07060	15.5
82.06597	1.3
83.08620	10.2
84.08167	1.1
85.10166	1.1
91.05495	2.2
93.07050	14.9
95.08611	15.5
96.08132	2.4
97.06563	1.0
97.10197	5.4
100.07617	0.8
105.07047	1.1
107.08603	8.7
109.10156	6.1
110.89628	0.6
111.08076	1.2
111.11723	1.0
114.09171	0.7
121.10149	12.5
123.11732	1.7
135.11697	7.4
149.13269	1.9
163.14783	0.7
219.52727	0.6
247.24286	2.1
252.26837	1.2
254.24742	0.8
264.26874	9.3
266.24881	0.9
272.25836	5.2
282.27902	17.7
300.28937	1.5
306.27859	1.3
488.48303	1.3
518.49292	4.6
536.50409	100.0
537.50836	3.1
554.51465	35.5
555.51514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21394	5.2
70.06557	1.4
76.96079	0.6
81.07006	1.9
85.02859	0.8
86.09656	1.3
91.05437	1.5
93.07005	1.4
98.36629	0.7
103.05443	1.2
105.06992	1.8
107.08582	0.8
111.04472	0.6
119.08537	1.1
119.13320	0.7
121.06434	0.8
121.10128	1.3
128.76161	0.7
131.04877	1.3
137.05902	2.1
145.02769	2.2
167.07024	3.5
177.05399	3.0
179.72679	0.7
181.04901	2.1
185.04288	0.8
187.05716	1.1
191.07031	1.0
203.05286	0.7
208.34290	0.7
215.05292	0.9
219.06454	0.8
233.06226	1.0
243.04814	0.9
245.06238	2.6
287.03717	6.7
289.05319	21.1
314.09747	3.1
355.19000	1.0
431.20288	3.1
449.21481	92.8
450.21561	1.4
451.23074	36.9
467.22537	7.6
629.28210	1.2
671.28882	10.0
697.26227	1.5
715.27814	100.0
716.28357	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05515	9.1
56.05030	2.8
57.03454	0.7
57.06872	0.5
57.07085	5.5
58.06608	0.6
60.04528	25.6
60.72053	0.6
65.03942	1.2
67.05510	17.0
69.07070	12.8
70.06594	3.6
71.04989	0.6
71.08630	2.5
79.05495	15.5
81.07062	16.4
82.06574	1.0
83.04990	0.6
83.08622	8.9
84.04414	0.6
84.08197	0.6
85.02890	1.2
85.10177	1.9
86.06055	1.3
91.05489	2.4
93.07051	14.3
94.06658	0.7
94.10979	0.6
95.08618	16.7
96.08145	2.4
96.46138	0.6
97.06564	1.1
97.10185	6.0
100.07631	1.7
105.04530	1.0
107.08604	7.5
109.10165	6.5
111.08129	1.4
111.11736	1.9
114.09174	1.1
119.08569	0.6
121.10145	11.5
123.11723	2.4
125.13306	0.9
135.11699	5.8
149.13300	1.4
162.32045	0.7
173.05374	0.7
225.59251	0.7
247.24269	1.8
252.26872	1.0
254.24590	0.7
263.25681	1.1
264.26849	11.8
266.24591	0.9
272.25824	5.4
282.27930	18.0
300.29211	1.0
306.28006	1.2
460.33334	0.6
500.48654	0.7
507.10828	0.7
518.49347	5.4
536.50415	100.0
537.50909	3.3
539.36481	0.8
554.51465	38.4
555.52081	1.3
681.23511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5513
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
50.91854	0.4
52.74377	0.4
53.03935	1.2
55.05515	5.0
56.05048	3.7
57.07082	2.4
58.06565	0.5
60.04514	2.1
60.34607	0.4
65.03927	0.6
67.05505	10.2
68.05023	0.4
68.18479	0.4
69.03425	0.8
69.07068	8.0
69.30347	0.9
69.30754	2.3
70.06576	1.3
71.08621	1.3
77.35475	0.4
79.05070	0.7
79.05493	9.1
80.05022	2.8
81.05784	1.3
81.06585	0.7
81.07054	9.8
82.06119	0.6
82.06574	7.0
83.08628	4.2
84.08112	0.6
85.02905	1.9
85.10172	0.9
86.06045	0.5
91.05479	7.6
93.05783	0.4
93.06484	0.6
93.07043	9.5
94.06570	16.8
95.04961	1.0
95.07356	7.1
95.08607	8.5
96.08138	5.1
97.02876	0.8
97.06530	0.4
97.10173	2.5
98.06024	0.5
100.07619	0.5
105.04477	0.6
105.07027	5.4
107.08601	4.5
108.08131	2.6
109.10148	3.0
111.11703	0.9
119.08585	5.0
121.10148	5.5
121.61609	0.4
122.09644	2.0
123.11694	1.2
124.11185	0.8
128.26869	0.4
133.10133	3.2
134.09650	0.5
135.10463	0.7
135.11687	2.7
136.11200	0.8
147.11679	1.6
149.13255	0.8
151.14813	0.6
161.13271	0.8
163.14876	0.5
193.19426	0.6
219.21043	0.5
233.22643	3.6
234.22194	0.8
245.22682	5.4
250.25287	7.3
254.24651	1.0
262.25296	100.0
263.25638	1.6
272.25818	6.1
280.26358	6.9
314.27115	0.5
354.90701	0.4
363.22400	0.4
469.18622	0.4
504.47693	5.5
516.47772	32.8
517.47827	0.7
518.49225	5.5
534.48822	20.3
696.54065	6.7
739.69183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.4
53.03947	1.0
54.49677	0.2
55.01875	0.8
55.05509	3.3
57.03447	0.6
57.07073	0.4
59.04995	0.5
63.02404	0.3
65.03942	0.6
67.05176	0.5
67.05507	5.2
69.03430	3.7
69.07064	2.3
70.06592	1.6
71.01347	0.9
71.04979	0.5
71.52024	0.3
72.08160	0.7
73.02910	1.1
75.04479	3.2
77.03935	0.5
79.05492	7.1
81.03422	1.2
81.07058	36.2
83.01347	1.1
83.04998	0.6
83.08622	1.2
84.04504	0.4
84.08141	0.4
85.02912	1.7
86.09711	1.0
87.04476	1.9
91.04906	0.5
91.05482	11.6
93.07048	15.0
95.04985	1.7
95.08609	19.5
97.02894	6.7
97.06528	1.8
97.10171	0.9
99.00825	0.4
99.04473	0.4
101.02380	3.1
101.06045	0.9
103.05457	0.7
105.07034	26.9
107.04972	0.5
107.08603	18.0
109.02886	0.4
109.06529	1.4
109.10160	7.9
110.07120	0.3
111.04450	1.2
111.08072	0.4
113.02357	1.1
115.03946	1.1
115.05428	0.3
116.06223	0.3
117.07018	2.1
119.08584	71.6
120.08913	0.7
121.06516	3.1
121.10146	30.2
123.08074	4.1
123.11700	1.7
125.02362	1.8
125.09630	1.4
127.03903	1.1
128.06229	0.5
129.05481	6.2
129.07007	0.8
131.08562	3.0
133.06544	0.5
133.10135	21.7
134.10587	0.3
135.08064	1.4
135.11694	13.6
137.05931	0.3
137.09604	2.8
142.07806	0.9
143.03413	1.6
143.08592	2.2
144.09340	0.6
145.02913	0.7
145.10115	2.3
146.10912	0.4
147.06538	1.8
147.08075	1.3
147.11696	11.5
149.09567	0.6
149.12677	0.3
153.05429	0.3
157.04962	1.1
157.08931	0.4
157.10124	3.5
159.11687	12.1
160.12436	0.4
161.09636	4.0
161.13260	34.8
161.30226	0.3
163.03900	0.3
165.09213	0.3
171.11649	0.8
173.13287	0.6
175.04504	0.6
175.06039	11.8
175.11198	2.0
175.14825	1.4
177.05504	1.1
179.06996	0.3
181.88780	0.3
189.16383	100.0
190.16776	1.5
193.07088	12.8
199.14848	3.8
217.15877	24.7
218.16238	0.5
235.16949	5.1
262.32037	0.3
409.22195	8.1
427.23434	1.7
710.38159	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85672	0.6
61.25254	0.6
61.55293	0.7
69.03441	1.0
69.94957	2.7
70.06596	6.0
72.08152	1.7
79.05469	1.4
81.07072	0.9
82.06593	0.8
82.82715	0.6
84.04504	0.8
84.08146	3.1
85.02906	0.9
86.09718	2.3
91.05473	2.1
93.07050	1.2
94.04144	0.7
94.06561	2.4
94.34996	0.7
95.07371	1.6
96.08103	3.6
97.02859	1.2
99.04478	0.8
103.05457	0.9
107.04979	0.9
108.08114	4.0
110.07184	1.3
110.09690	5.9
116.90461	0.7
117.03419	0.9
120.04471	2.8
120.08106	7.4
121.06505	1.6
122.06052	1.7
124.07571	1.6
129.10262	2.0
131.04893	0.8
134.06110	0.7
136.07593	5.2
137.05959	2.7
138.09140	10.0
145.02870	2.2
148.07597	1.5
149.05891	0.9
151.07411	0.8
152.07063	1.8
152.10712	0.9
164.07092	0.8
166.08633	10.3
167.07092	1.1
172.03944	2.6
174.09184	0.8
177.05493	5.3
178.05881	1.2
190.05013	1.3
191.07024	1.2
198.11449	0.8
204.06584	4.9
209.10834	0.8
213.10422	0.9
216.91748	0.7
223.06183	0.7
223.08611	1.4
223.12415	0.8
224.09625	1.0
225.10257	3.0
226.10936	0.9
235.08771	1.1
236.09402	1.0
237.10255	4.4
238.10944	1.0
239.08247	1.3
239.11786	3.0
241.09796	0.7
241.13300	0.7
243.11375	1.6
248.09311	1.3
249.10236	4.7
250.11160	1.7
251.08275	2.6
251.11783	4.8
252.08751	0.7
252.12639	1.4
253.09769	3.1
253.13420	1.2
255.11302	1.0
261.10287	1.4
262.11206	1.0
263.08185	0.8
263.11798	3.1
265.09744	6.6
266.10410	2.0
267.11215	5.7
271.10791	1.9
273.12366	1.7
277.09714	1.9
278.10580	3.0
279.07703	4.3
279.11331	9.0
280.12100	2.0
281.09253	2.4
281.12781	2.4
282.10019	0.8
283.10837	5.4
285.12305	3.4
287.10449	1.0
287.13864	1.2
289.09726	5.1
291.11365	1.8
293.09293	2.0
293.12936	5.0
294.10046	6.0
295.10883	3.8
295.13907	0.7
296.11642	2.1
297.12357	2.7
299.10345	1.6
299.13803	0.8
303.13425	2.5
306.09979	0.7
307.10736	2.5
308.11453	0.7
309.12381	3.2
310.13174	1.0
311.10297	5.7
311.13843	2.3
312.11044	2.6
312.14407	0.7
313.11853	2.3
314.12405	1.1
315.13251	0.8
317.09375	1.0
323.10394	1.4
323.13855	1.1
324.11157	1.9
325.11929	4.3
326.12759	4.8
327.13394	8.7
335.10220	8.1
339.13409	49.3
340.10544	2.6
340.14197	0.9
343.08353	0.8
352.10712	1.0
353.11398	1.9
354.12076	4.9
355.12881	14.8
357.14536	1.7
357.27927	0.7
358.77029	0.7
367.12888	33.7
368.13251	1.2
386.14822	0.9
399.15256	1.0
402.18210	0.9
415.15338	1.6
418.17816	0.8
432.15491	2.1
447.17996	0.9
460.18848	1.6
461.19592	0.9
462.16989	1.1
474.16196	3.4
479.20599	3.2
488.18060	7.6
492.21249	4.3
492.58011	0.8
511.40631	0.7
520.20831	100.0
521.21167	3.7
538.21851	2.8
552.23431	69.6
553.23706	2.3
585.22876	1.1
609.23187	0.8
627.24573	14.0
627.84027	0.7
659.26740	1.3
709.24902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72039	0.1
53.03949	0.2
55.01867	0.2
55.05522	0.2
56.96569	0.1
57.03450	0.1
63.02106	0.1
63.02393	0.4
67.05516	0.7
69.03430	0.7
69.07095	0.1
70.06590	0.8
72.08170	0.2
73.02927	0.1
78.04707	0.3
79.05499	0.7
80.85104	0.1
81.03418	0.4
81.07067	1.5
83.08617	0.2
84.04506	0.2
84.08150	0.3
85.02927	0.7
86.09709	0.4
87.04470	0.3
87.68045	0.1
89.03921	3.8
91.05488	0.5
93.07042	0.5
95.04970	0.3
95.08617	2.9
95.09136	0.1
97.02913	0.7
97.06529	1.3
99.04507	0.1
101.06048	0.2
103.05479	0.3
105.07065	0.3
106.04156	0.3
107.08611	0.1
110.07165	0.1
111.04456	0.3
111.08090	0.3
113.02411	0.2
117.03391	11.8
119.04937	0.2
120.08089	0.2
121.06516	0.3
123.08073	1.8
125.02402	0.1
127.03889	0.1
129.04572	0.1
129.05479	0.5
129.10219	0.2
131.04913	0.1
134.03624	0.8
135.04420	0.7
137.05971	0.2
138.70186	0.1
141.09117	1.8
145.02855	37.9
146.03215	0.4
147.06534	0.3
149.05994	4.2
151.03896	0.2
157.05077	0.1
158.06065	0.2
162.03163	0.2
163.03915	0.3
167.07054	0.2
175.06035	1.3
177.05481	100.0
178.05826	1.0
182.48347	0.1
186.05495	1.1
193.07132	0.3
283.11960	0.1
315.14383	1.5
317.13803	1.4
333.15628	0.2
339.10745	0.4
351.10678	0.2
369.11758	0.6
482.51300	0.1
491.19223	0.8
509.20251	3.3
670.24884	0.1
706.24377	0.2
706.35596	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	707.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
67.05495	1.1
69.03431	0.6
69.07068	0.3
70.06589	2.6
71.51713	0.4
72.08145	0.7
76.49191	0.2
79.05476	0.5
81.03403	0.4
81.73560	0.3
84.04509	0.5
84.08128	0.9
85.02902	0.8
86.09682	1.0
89.03938	0.4
91.05457	0.7
91.91572	0.3
92.99995	0.3
93.07028	0.7
94.06565	1.5
95.04954	1.1
95.08590	0.5
96.08109	0.3
97.06519	0.3
105.07033	0.6
107.04963	0.4
107.08613	0.4
108.08123	0.5
109.10162	0.3
110.06062	0.4
110.07211	0.4
110.09669	0.6
113.16445	0.3
116.04945	0.8
117.03384	0.5
120.08080	0.9
121.06487	0.4
121.10081	0.3
122.06029	4.2
124.07576	1.3
129.10219	0.4
131.08661	0.3
133.10153	0.3
136.07590	1.8
137.05952	0.9
138.09125	0.7
140.07010	0.9
144.04451	2.4
145.02843	1.1
148.07578	0.3
149.05948	0.4
150.05490	3.4
152.07083	0.4
160.07579	0.9
161.05974	0.4
162.05501	0.9
164.06992	0.5
166.08647	0.9
167.07007	0.4
168.06596	1.3
172.03929	12.8
177.05426	1.9
182.08163	1.5
183.08957	0.7
184.07530	0.5
185.08328	0.7
186.09200	0.7
187.08647	0.4
188.07027	0.4
190.05022	1.2
196.07683	0.5
198.09134	0.5
200.10815	0.4
201.10181	0.9
202.11052	0.5
203.11789	1.6
204.06566	17.4
209.07956	0.3
211.08617	0.7
213.06729	0.3
213.10233	1.2
214.08643	1.0
215.08186	1.2
215.11621	0.7
217.09691	0.9
217.13313	0.4
227.11803	0.7
228.10219	0.8
229.09705	7.4
230.10469	5.0
231.11299	1.8
239.08211	1.0
240.09029	0.4
241.09648	1.7
243.11284	3.1
244.12082	2.5
245.09071	0.3
245.12857	1.6
246.11351	0.7
247.10875	1.0
254.10567	0.6
255.11433	1.5
256.09650	1.9
257.09293	1.6
257.12787	4.1
258.09991	3.4
259.07147	0.8
259.10742	5.9
260.11526	0.6
261.12207	0.7
271.10803	3.1
272.11505	3.6
273.12338	11.6
274.10596	0.8
274.13147	0.4
275.10190	1.9
283.10757	0.7
287.13892	0.7
288.12186	0.4
289.11823	8.3
290.12567	2.4
291.13269	0.4
297.12115	0.5
299.10312	1.9
300.11057	5.5
301.11823	5.4
303.13376	0.5
305.14975	0.6
315.13388	5.1
316.11752	0.8
318.12061	4.1
319.12933	1.1
325.11862	1.9
332.13763	0.4
333.14429	100.0
334.14874	2.4
351.15506	17.6
352.16309	0.4
357.14420	2.1
364.21317	1.1
492.17633	0.6
504.17639	1.2
550.21497	0.9
641.71387	0.3
657.25073	0.7
707.37836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84654	0.2
62.62643	0.3
67.05482	0.3
70.82366	0.3
70.82696	0.6
74.89769	0.2
185.04208	0.6
197.03270	0.3
259.07980	0.8
313.25571	0.3
332.30148	0.4
347.09583	0.8
539.31921	22.2
540.32477	0.3
701.37189	100.0
702.37634	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	702.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01869	0.3
55.05520	0.2
56.05026	0.2
57.03455	0.2
63.02388	0.5
64.93362	0.2
65.03930	0.3
69.03434	0.5
69.07069	0.2
69.89613	1.1
70.06598	2.8
72.08156	1.4
72.23874	0.2
77.03918	0.3
78.04701	0.4
79.05492	0.4
81.03411	0.3
81.07086	0.2
81.50569	0.2
84.04504	0.6
84.08139	1.8
85.02915	0.8
86.09708	1.9
87.05584	0.3
89.03918	4.8
91.05486	4.7
93.07030	1.3
95.04971	1.0
95.08634	0.2
96.35902	0.2
97.02905	0.5
98.97634	0.3
101.92635	0.2
103.05468	1.6
105.03413	0.2
105.04573	0.2
105.07061	0.6
106.04203	0.5
107.04957	0.5
107.08605	0.2
108.86856	0.2
109.06512	0.3
109.10175	0.3
110.07157	0.5
111.04435	0.3
115.05511	0.2
116.07095	0.3
117.03381	16.3
118.08681	0.3
119.04945	3.3
120.08082	0.6
121.06492	2.0
122.03630	0.8
124.05224	0.3
127.03927	0.2
128.61919	0.2
129.10236	1.0
131.04962	0.5
133.02864	2.1
133.06499	0.4
134.03650	1.0
135.04419	1.3
136.07573	0.4
137.05980	10.8
145.02847	48.4
146.03169	0.5
147.04407	2.4
149.05980	9.0
150.06740	0.8
151.03862	0.3
151.07544	3.6
151.45218	0.2
158.03784	0.2
158.05989	0.4
159.09314	0.2
160.05173	0.4
161.05977	1.4
162.03111	0.4
162.06743	0.8
163.03897	0.9
163.07442	0.3
164.07080	0.3
165.05486	0.4
166.08691	0.3
167.07034	0.6
168.10144	0.3
173.05965	0.8
175.03880	1.5
175.07558	0.9
177.05469	100.0
178.05925	1.0
179.07072	1.5
183.15079	0.2
186.03151	0.4
186.05492	1.0
187.07430	0.2
191.07085	0.4
192.06557	0.4
194.08101	0.4
201.05455	7.1
203.07126	0.3
205.06450	0.4
206.08250	0.2
213.05435	0.6
218.08066	0.2
230.78682	0.2
231.06525	0.5
234.06592	0.2
250.06239	0.3
251.07068	0.2
264.07809	0.2
265.08423	0.4
277.08664	0.6
279.10077	0.2
293.07956	0.4
305.08054	0.9
307.09610	0.6
308.06686	0.2
309.11188	0.9
311.12741	0.5
316.15460	0.6
323.08911	0.3
325.10718	2.3
337.10739	1.5
342.13339	3.8
344.14957	0.8
346.16693	0.2
355.11749	5.1
368.14804	1.1
373.12820	1.1
455.15256	0.2
492.20169	15.1
493.20358	0.6
504.19968	1.0
522.21283	4.1
540.22351	6.2
541.22754	0.3
684.23779	0.3
703.26758	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20294	0.3
55.05511	0.4
56.60307	0.3
59.13258	0.3
65.03941	0.7
70.06591	2.9
72.08156	1.3
74.03666	0.3
79.05495	0.6
79.11482	0.3
81.03379	0.4
84.04519	0.7
84.08126	0.8
85.02912	0.6
86.09704	1.6
89.03926	0.4
91.05487	11.1
93.01686	0.3
93.07018	0.4
94.04205	0.3
95.04984	2.0
95.08631	0.3
97.33903	0.3
98.21568	0.5
103.05445	0.7
103.69250	0.3
105.07076	0.5
107.04923	0.6
107.08509	0.3
108.05736	0.5
110.07133	0.5
115.05492	0.8
117.03369	0.8
117.07008	0.6
118.54178	0.3
119.04948	6.8
119.08592	0.4
120.08138	0.6
121.06520	0.8
125.05986	0.4
129.10231	0.4
131.04962	0.6
132.04509	0.7
133.02861	1.0
135.04443	0.3
136.05177	1.1
136.07529	0.8
137.05977	4.6
141.03380	1.1
145.02850	2.0
145.06497	0.7
147.04347	0.4
149.05954	1.3
151.03964	1.7
151.07555	17.7
153.05505	0.4
160.03926	0.6
161.05978	0.5
163.03964	0.4
165.05493	0.5
166.08699	0.5
167.07037	1.8
172.71049	0.3
173.05975	0.6
175.03883	0.9
175.07567	1.0
176.07069	0.4
177.04300	0.4
177.05528	2.5
187.07532	0.8
189.08563	0.3
191.07031	1.3
192.06537	1.2
194.08185	2.6
201.05370	23.6
202.05925	0.4
205.06509	1.5
205.83913	0.3
207.06378	0.5
207.08099	0.7
211.07518	0.5
218.08072	0.4
219.08101	0.4
220.05206	5.6
221.05994	0.4
222.06781	0.6
224.08136	0.3
226.05023	0.8
228.06514	0.4
231.06529	1.6
233.06013	0.9
234.06688	0.9
235.07555	18.3
236.08089	0.4
237.05501	1.9
237.08975	1.8
244.05966	1.4
248.04680	4.6
249.05449	1.5
250.06274	1.1
251.07062	0.6
252.07799	1.3
260.04614	2.0
262.06235	0.3
263.07056	23.5
264.07730	2.0
265.04980	5.4
265.08228	2.5
267.06644	0.4
276.04297	0.4
279.06476	0.4
279.10214	0.4
280.07312	9.1
282.08932	2.5
291.06552	7.2
292.07361	0.5
293.05035	0.4
293.08139	1.3
295.09662	2.2
297.11282	1.4
299.09146	1.4
299.12408	0.4
306.05136	0.4
307.09686	0.5
308.06799	3.6
310.08466	0.4
313.10696	3.7
314.14032	0.6
321.07623	3.9
323.09146	100.0
324.09201	1.9
324.12775	0.5
325.10736	0.9
327.08594	1.1
351.08588	0.6
352.11719	1.2
353.10236	3.5
361.09006	0.6
364.11804	0.5
369.09735	0.9
374.10211	0.5
380.10953	0.5
392.11169	1.7
394.12769	4.1
488.17166	2.0
490.18652	22.4
491.19012	0.7
498.16266	0.3
516.16589	27.5
517.17340	0.6
518.18152	18.7
519.18274	0.5
520.19440	0.7
546.17566	0.7
587.57861	0.4
683.25977	0.9
701.20856	0.6
701.48962	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.7
55.01867	1.8
55.05503	0.9
58.55650	0.7
62.46822	0.6
65.03918	1.1
70.06585	1.1
79.05482	1.6
81.07051	0.9
81.74124	0.6
86.09670	0.7
89.03917	2.0
91.05483	15.2
93.07018	1.1
94.04204	1.0
95.05001	3.2
103.05426	1.3
105.07046	1.4
106.06577	1.4
107.04927	1.6
109.06507	0.9
111.04390	0.7
115.05443	5.8
117.03358	5.1
117.06987	1.1
119.04943	11.5
119.08595	0.8
119.37828	0.8
120.08127	0.7
121.06506	4.2
122.03631	3.3
123.04431	1.1
125.05968	0.8
131.04910	1.2
132.04437	1.5
133.10132	0.7
134.03615	0.8
134.06029	1.9
135.04401	1.5
136.05167	1.4
136.07690	0.7
137.05983	30.1
143.04948	4.6
144.05699	1.5
145.02867	11.0
145.06479	1.7
147.04427	2.0
149.04771	1.4
149.05946	7.5
150.06779	2.3
150.41852	0.8
151.03891	3.5
151.07544	28.9
152.07031	1.0
153.05455	1.0
158.03644	2.2
160.03925	2.4
160.05200	8.0
161.05983	2.5
164.07037	0.9
165.05502	0.8
165.06805	0.7
166.08646	2.2
167.07057	2.2
168.10214	8.3
173.05983	5.0
174.05472	1.3
175.03906	2.9
175.07539	15.5
176.07146	4.2
177.04239	1.7
177.05518	19.5
177.07036	2.0
178.05942	0.8
179.05862	0.7
181.04961	0.8
186.03134	7.6
186.04706	0.8
186.05513	1.4
187.07617	0.9
189.05441	1.0
189.07013	0.8
191.07039	1.5
191.08559	0.9
192.06540	8.9
193.06483	0.8
194.08237	13.6
201.05466	18.9
203.06998	1.4
203.08647	1.0
204.05705	1.3
205.06496	12.6
206.07304	1.3
207.06509	1.6
215.03366	1.4
217.06570	1.1
218.08150	28.1
219.08200	3.2
220.05186	0.9
221.05898	4.3
221.09642	1.2
222.06769	8.2
223.07518	1.5
225.08920	0.8
226.06274	1.1
227.07066	1.7
233.05966	17.3
234.06798	3.7
235.07587	3.3
236.08334	1.2
237.05534	1.3
237.09135	10.0
239.07010	2.5
240.08020	0.9
247.07458	4.5
248.04782	1.6
248.08337	0.6
249.05420	4.9
249.09154	0.9
250.06279	12.0
251.06987	3.0
252.07895	1.1
254.05711	0.8
261.05417	2.4
262.06216	1.7
263.07095	2.8
264.07782	8.4
265.04999	4.0
265.08615	22.0
266.09396	1.9
267.06567	2.8
268.07324	1.1
269.08054	1.9
275.06931	1.4
276.04279	1.1
276.07864	0.7
277.04926	4.3
277.07864	1.2
278.05740	7.6
279.06415	1.8
279.10202	3.4
280.07297	2.8
280.10440	0.9
281.07831	0.9
282.08850	2.0
283.09628	2.2
284.10345	1.7
289.08704	1.1
291.06537	3.1
292.07294	24.7
293.04504	5.5
293.08087	27.8
293.11423	1.5
294.08514	0.7
295.06079	2.4
295.09622	2.9
297.11267	3.5
300.12274	4.6
301.13080	0.9
302.05789	0.9
304.03616	1.5
304.06830	0.7
305.04416	1.0
307.09644	42.4
308.06796	23.3
308.09915	1.2
309.07364	1.0
310.08405	2.8
317.08063	2.2
319.06003	2.9
320.06766	1.8
323.09128	18.1
323.12888	1.0
325.10709	100.0
326.10968	2.5
335.09125	6.6
336.06317	6.1
337.09134	1.4
341.10361	1.4
349.10727	1.0
351.08640	69.8
352.12079	6.5
364.11938	1.7
366.13095	0.8
380.11295	16.0
392.11288	4.5
462.19193	0.7
463.91086	0.7
473.15839	0.9
490.18619	16.2
492.20178	13.9
499.13895	1.1
507.21350	2.6
516.16553	21.7
518.18018	9.9
547.20850	3.8
559.21167	0.9
683.25909	9.3
701.37531	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05276	2.0
55.05516	25.4
57.03446	8.2
57.07077	17.5
58.77251	1.2
61.02932	29.9
67.05138	1.7
67.05507	39.8
69.03436	3.3
69.07076	43.0
71.05013	2.3
71.08643	11.3
71.52217	1.9
73.02926	11.6
75.04488	1.8
79.05503	17.7
81.03414	2.2
81.07065	44.4
83.04990	2.1
83.08622	39.8
85.02911	35.0
85.06551	2.0
85.10175	6.2
86.62865	1.2
91.03418	2.4
91.03963	30.4
91.05495	2.2
93.07053	23.0
95.08614	50.2
97.02902	13.5
97.06548	8.2
97.10173	29.0
99.04462	1.7
99.08099	1.8
99.11694	1.2
106.72102	1.4
107.08612	15.7
109.02831	1.8
109.10166	25.6
111.08095	5.3
111.11710	8.2
119.81165	1.3
120.08147	1.3
121.10159	43.8
123.11700	10.4
125.09633	4.4
125.13286	1.8
127.03925	11.1
129.09122	1.5
129.12804	1.7
135.11705	34.3
135.12723	1.9
137.13217	3.2
139.11169	3.4
144.90512	1.3
145.04991	16.9
149.13258	12.6
151.14813	6.0
163.06032	30.7
163.14845	5.1
165.16464	6.1
177.16374	4.3
189.47850	1.2
191.17966	2.4
195.17393	1.5
196.63699	1.3
213.18539	1.5
227.17714	1.5
236.92032	1.2
247.24258	36.6
265.25287	100.0
283.26321	21.7
324.29123	1.7
339.28973	97.3
340.29187	2.1
355.83282	1.5
357.30017	86.2
423.57074	1.3
652.96344	1.4
698.45990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25055	1.1
53.03954	2.2
55.01847	0.9
55.05507	2.8
55.93523	3.6
56.05030	1.0
56.94300	4.0
59.36632	1.0
67.05503	7.4
69.03419	2.7
69.07060	3.6
70.06597	7.9
70.95868	7.3
71.51926	1.1
72.08142	3.2
72.93782	12.7
74.95361	1.6
79.05509	7.4
81.03416	2.4
81.07056	13.4
83.04967	1.2
84.04504	2.1
84.08134	3.9
85.02914	3.1
86.05597	1.1
86.09703	5.2
88.46535	1.0
88.96899	3.7
89.03948	1.0
89.94010	1.5
90.94814	6.9
91.05479	10.1
93.07049	10.1
95.04932	2.0
95.08615	14.8
97.02895	2.8
100.96879	1.2
102.94804	2.2
103.05440	2.6
105.07038	24.0
107.04964	2.2
107.08611	13.2
109.02862	1.2
109.06510	1.0
109.10165	12.1
110.07154	3.4
111.04451	1.0
113.96455	1.7
114.94842	2.3
116.96381	5.0
117.03378	1.1
117.07050	1.0
119.08583	16.3
121.06502	2.4
121.10151	4.3
123.04430	1.1
123.11722	2.1
127.03920	1.0
128.96336	4.7
129.10269	2.4
130.97929	2.1
131.04922	2.7
132.95845	24.9
133.02850	1.4
133.10139	13.5
134.97437	1.0
135.04449	1.3
135.11697	1.8
136.07631	1.7
137.05991	5.8
140.96394	2.1
142.97894	1.7
144.95837	7.9
145.02853	4.5
145.10112	2.3
146.97379	2.1
147.04428	2.2
147.11710	10.2
148.98993	1.3
149.00467	1.2
149.05980	2.0
150.96913	6.9
151.03882	1.4
153.05444	3.8
155.97437	1.6
156.95842	1.5
158.97409	13.8
159.08008	1.3
159.11612	1.1
161.05960	3.3
161.13208	2.6
162.96921	3.6
163.02052	1.7
163.03949	1.0
163.07481	1.5
165.03569	1.7
165.05502	1.3
166.97963	2.1
167.01508	1.1
167.07039	2.4
168.95836	2.3
170.97372	4.1
172.98813	1.2
174.96899	100.0
175.07516	3.3
175.14743	1.2
176.98459	6.8
177.03885	1.7
177.05437	9.5
178.97949	1.1
179.05135	1.3
180.99455	3.3
184.98959	1.9
186.96869	18.9
187.07573	3.9
188.98447	2.1
189.03615	3.7
191.05235	2.4
192.97935	3.3
192.99507	2.3
193.03120	1.9
193.06659	1.7
195.00974	2.4
198.96887	9.8
199.00426	2.5
199.07481	1.8
203.05231	2.9
203.17995	7.4
204.97969	2.8
207.01045	13.6
207.04686	4.5
208.38840	1.0
210.14876	1.1
210.96890	3.0
214.04401	1.4
215.99507	2.3
216.97961	13.5
217.06787	1.1
218.99422	1.5
221.02650	7.5
222.97011	1.4
225.05707	2.3
234.99002	70.3
241.06699	4.8
243.08386	3.9
246.99031	2.0
249.09024	1.1
253.00060	3.6
253.06758	2.0
255.08380	5.1
257.09912	2.7
258.00638	1.9
258.99002	1.3
263.06998	1.1
266.19116	1.0
275.10941	72.6
277.00067	40.6
277.08505	1.9
277.12503	1.1
289.00067	4.2
293.08585	2.0
293.11932	13.1
295.01120	40.9
297.44104	0.9
301.10733	1.1
307.00970	4.9
307.09427	1.5
314.94565	2.2
316.13562	1.3
317.11893	5.4
325.10687	3.0
332.95663	5.7
335.13315	1.1
337.02173	20.4
337.10690	3.0
347.13226	1.2
353.01404	1.0
355.03220	15.5
355.07230	1.1
361.09033	6.2
373.07867	1.3
377.14026	4.1
379.03159	2.1
397.04160	5.5
419.15167	9.3
437.16248	83.9
438.16394	2.1
455.17245	2.0
476.99890	4.8
495.01190	4.8
497.18118	2.4
517.12048	7.8
593.16150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.05270	1.1
55.05513	12.5
57.03437	4.8
57.07081	8.0
61.02929	21.9
65.03913	1.6
66.29398	0.7
66.89272	0.6
67.05508	57.4
69.03426	2.6
69.07070	19.7
69.21919	0.7
70.56400	1.3
70.56744	1.0
71.04976	2.0
71.08633	4.7
72.78474	0.6
73.02919	8.1
75.04456	0.9
76.84710	0.6
78.17940	0.6
79.05070	1.2
79.05498	15.6
79.96340	0.6
81.03420	1.8
81.07059	71.9
83.04971	1.0
83.08154	1.2
83.08626	16.5
85.02910	29.1
85.06532	1.9
85.10169	2.7
87.87073	0.7
91.03958	23.2
91.05479	13.3
93.06483	1.3
93.07045	20.3
95.04979	1.0
95.08611	61.9
97.02901	13.2
97.06523	5.5
97.10177	8.8
99.04439	1.7
99.08089	4.4
105.07030	9.1
107.08600	14.4
109.02851	1.4
109.06529	1.0
109.10158	33.4
111.08072	2.9
111.11723	3.0
113.09641	2.1
115.03945	1.8
119.07787	1.2
119.08582	10.3
121.10149	20.2
123.11703	18.0
125.09633	1.8
125.13263	1.2
127.03918	9.3
127.11189	2.1
129.05472	0.8
131.08577	0.8
133.10136	15.1
135.11694	10.1
137.05943	0.8
137.09598	1.2
137.13243	8.2
139.11118	0.9
141.12735	3.0
145.04959	13.1
147.11681	10.4
149.01257	0.8
149.13257	9.5
151.11159	1.8
151.14854	4.8
153.12640	0.8
155.08507	0.9
155.14278	3.2
161.13274	12.0
163.06026	22.4
163.14818	9.7
165.12683	1.3
165.16402	8.5
169.15877	0.8
175.14828	8.7
177.16406	1.7
179.14278	1.6
179.17960	6.7
181.15889	1.2
189.16412	4.7
193.15924	1.6
203.17921	1.7
207.17509	1.0
217.19583	1.4
245.22649	63.2
247.24156	1.5
259.19226	0.8
263.23706	100.0
264.24170	1.9
265.25287	2.2
281.24695	3.4
308.47940	0.7
337.27356	44.1
338.27744	0.9
355.28391	12.0
407.27719	0.7
453.58871	0.7
499.32501	1.8
530.37793	0.7
541.09094	0.7
667.92261	0.9
712.42059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
53.97514	0.6
55.05502	3.5
57.03415	1.7
57.07058	1.2
65.03933	0.7
67.05510	4.1
69.03416	0.9
69.07076	6.7
69.39681	4.6
70.06583	0.8
71.01366	3.0
73.02921	5.7
79.05502	4.7
81.07059	17.6
83.01311	0.6
83.04946	0.8
83.08602	2.0
83.50903	0.6
84.08112	0.9
85.02908	17.2
85.04883	0.6
85.06524	0.9
91.05484	6.8
93.07049	13.4
95.01318	1.3
95.04965	0.7
95.08610	18.3
95.51093	0.6
97.02892	0.8
97.06524	1.2
97.10146	0.9
98.20763	0.9
99.80070	0.5
103.03886	1.6
103.05463	0.6
105.07036	29.5
107.07883	1.0
107.08595	19.7
109.06528	2.9
109.10158	9.3
111.08061	1.2
113.02383	9.9
117.06972	2.1
119.08587	33.3
121.06507	1.1
121.10152	12.8
123.08027	0.8
123.11733	4.7
128.06213	1.0
129.06960	1.9
131.03397	3.8
131.08568	11.2
133.06464	1.3
133.10135	24.6
135.11690	20.5
135.12723	1.0
137.09521	0.7
137.13254	2.4
141.01793	2.8
142.07793	1.0
143.08568	4.8
145.10129	10.8
147.07986	1.3
147.11687	20.2
149.13257	5.1
151.11188	0.9
155.08575	1.8
156.09389	1.3
157.10130	7.3
158.10941	0.7
159.02872	2.3
159.11700	10.4
160.12474	1.1
161.09650	1.2
161.13261	52.0
162.13557	0.8
163.14825	7.6
169.10120	2.0
170.10886	0.7
171.11702	9.2
173.13257	6.8
174.62814	0.5
175.11191	0.9
175.14848	6.2
177.16379	1.9
179.14326	2.6
182.10771	0.6
183.11690	3.4
185.13249	15.5
187.14822	25.2
189.12776	39.8
189.16379	88.3
190.16724	1.1
191.14307	2.4
191.17957	9.7
195.11748	1.3
197.13297	4.6
198.13922	0.7
199.14822	5.3
201.16382	3.9
203.14304	2.8
203.17946	2.4
205.15770	1.2
205.19554	0.9
207.11874	1.3
207.13789	11.0
207.17421	7.9
209.13322	1.4
211.14832	3.5
213.16414	5.5
215.17958	3.6
217.12312	1.3
217.15871	2.7
219.13803	1.0
223.14955	0.9
225.16389	3.0
227.18007	2.6
229.19527	1.3
231.13820	4.0
231.17418	1.3
233.15390	1.4
235.13309	14.0
237.16360	1.1
239.17934	6.0
241.19554	1.6
245.15381	1.3
245.28163	0.6
249.14880	1.3
251.17996	1.2
253.19574	3.6
257.18875	0.8
259.20575	1.6
265.19583	0.8
271.20615	1.7
279.21106	0.8
285.18478	1.6
299.20099	1.0
333.25955	0.7
371.25687	1.2
375.30466	6.0
383.20642	13.1
389.26700	3.2
393.31525	4.6
411.32663	1.8
421.31030	7.8
435.32709	1.6
439.32059	11.8
439.38037	0.6
457.33246	1.9
497.99536	0.8
565.30115	11.3
569.34772	2.2
587.35803	54.9
587.94678	0.7
588.36597	1.0
602.36115	0.8
615.35535	4.5
633.36334	100.0
634.37085	3.1
647.37891	28.2
648.38367	1.0
693.38495	15.9
694.39142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05495	0.5
56.05015	0.3
65.03920	0.3
67.05480	0.6
69.03404	0.4
69.07041	0.5
69.48827	1.5
70.06594	3.6
70.89893	0.3
72.08159	1.3
79.05464	0.6
80.04979	0.3
82.06577	0.4
84.04481	0.6
84.08173	1.7
85.02878	0.7
86.09724	1.7
89.03904	0.9
91.05469	0.9
93.07015	0.7
94.06540	1.0
95.04948	0.3
95.07306	0.4
95.08582	0.3
96.08139	1.6
97.02878	0.4
97.06518	1.2
105.07014	0.4
107.04936	0.5
107.08593	0.3
108.04449	0.8
108.08091	1.2
110.06014	1.2
110.07155	0.5
110.09665	1.3
115.76022	0.2
116.05006	2.1
117.03384	0.8
119.04946	0.3
120.08126	1.9
122.06041	4.0
123.04418	0.3
123.06783	0.4
124.07594	2.5
125.05991	0.3
129.10217	0.8
131.04967	0.5
134.05986	0.4
135.04402	0.4
136.07581	2.7
137.05969	0.9
138.05450	0.4
138.09158	2.5
144.04449	3.5
144.08046	0.4
145.02838	1.3
146.05998	0.7
148.07535	0.6
149.05913	0.4
149.07094	0.6
150.05493	1.6
150.06535	0.3
152.07063	2.2
158.09660	1.4
160.03955	0.5
160.07648	1.4
160.09921	0.5
162.05446	1.5
163.03876	0.9
164.06963	0.4
166.08670	2.8
167.07069	0.6
170.09654	0.5
172.03938	18.3
172.07568	0.6
174.09192	0.5
175.08693	1.0
175.12268	1.0
176.07083	0.3
177.05447	2.8
177.06749	0.4
181.04877	0.5
184.07600	0.3
186.09161	4.5
187.08636	1.8
188.07027	0.7
188.09422	0.9
188.10858	0.5
189.10371	0.3
190.04980	3.6
191.07063	0.4
196.07616	0.5
198.09192	0.9
200.10713	1.6
201.10164	0.6
202.09146	0.4
202.10977	2.5
203.11795	6.1
204.06560	29.8
205.06880	0.4
207.06419	0.6
213.10254	2.1
214.08630	9.6
215.08112	4.2
216.08862	0.9
217.09669	0.8
226.07220	0.4
227.08064	0.5
227.11752	1.1
228.10223	4.1
229.09682	1.7
230.10435	1.3
231.11293	5.7
238.08652	0.3
241.09746	2.6
242.08142	2.2
243.11365	0.3
245.09276	0.9
245.12938	0.9
247.10814	1.4
251.11942	0.3
255.11282	5.2
256.09680	3.1
257.09308	0.8
257.12769	1.5
258.10040	0.5
259.10776	79.4
260.11108	1.1
271.10785	0.5
272.11545	0.5
273.12338	7.1
274.10770	0.4
279.11047	0.6
283.10785	3.2
287.10281	0.4
297.12332	1.0
301.11826	63.8
302.12173	1.3
319.12881	100.0
320.13174	1.7
322.94543	0.4
325.11865	5.2
335.12463	1.0
337.13931	27.5
338.14288	0.4
343.13083	0.6
357.14514	4.5
358.15277	0.5
371.01544	0.3
397.58719	0.3
486.16614	0.4
504.17487	0.8
510.18646	0.9
510.89056	0.3
647.27600	0.5
657.25714	1.4
675.26605	7.9
676.26648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72002	1.1
53.03947	2.4
54.45525	0.9
55.01850	1.3
55.05503	3.6
56.05016	1.4
57.03418	1.2
59.04993	2.8
67.05483	3.5
69.03443	4.9
69.88400	5.2
70.06584	4.4
70.06934	1.1
73.02900	1.2
76.52801	0.9
79.05495	6.5
81.03407	1.1
81.07060	39.4
83.08627	1.5
84.04495	1.4
85.02902	2.1
86.09698	2.9
88.90742	0.9
89.92197	1.1
91.05491	13.1
93.06483	1.5
93.07044	17.8
95.04944	2.0
95.08617	21.2
97.02893	16.7
97.06532	1.4
97.10155	1.2
99.00822	1.2
101.06020	1.1
103.05463	1.7
105.07037	32.7
105.60016	0.9
107.08599	17.7
109.02872	1.1
109.06522	1.8
109.10172	7.5
113.02403	1.4
115.34352	0.9
117.07036	3.9
119.04920	1.1
119.08585	83.3
121.06506	3.0
121.09337	2.1
121.10148	25.7
123.08100	2.6
123.11669	1.2
125.02371	6.2
125.09612	1.6
127.03910	1.1
128.06230	1.0
129.05504	2.8
131.08563	4.4
133.10135	21.5
135.08057	2.4
135.11687	11.4
137.05968	1.4
137.09607	1.9
143.08569	2.7
145.02879	1.3
145.10086	3.1
147.11699	11.2
149.09631	2.2
152.50182	1.1
157.10118	4.5
159.11687	16.5
161.09656	3.3
161.13260	36.7
171.11679	1.9
173.13280	1.4
175.04514	2.1
175.06026	36.5
175.14850	1.8
176.38290	1.0
177.05424	1.3
189.16391	100.0
190.16794	1.0
199.14761	5.3
217.15886	27.5
298.89215	1.1
323.80408	1.0
367.04477	1.1
409.22159	7.7
539.23267	1.0
628.52679	1.1
648.23645	1.3
692.39288	1.3
716.55780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
54.30013	0.3
55.01865	0.5
55.05490	0.6
56.05014	0.3
61.02899	0.3
61.03704	0.3
67.05503	0.4
70.06274	0.3
70.06593	3.2
72.08121	1.2
79.05446	0.4
81.03400	0.7
81.07049	0.3
84.04493	0.7
84.08148	1.7
85.02896	0.4
86.09695	1.4
88.04499	0.3
89.03906	0.8
91.05462	1.0
93.07004	0.4
94.06545	0.8
95.04934	0.5
95.07322	0.5
96.08141	1.6
97.02876	0.5
97.06494	1.0
100.88060	0.3
101.04112	0.3
103.05446	0.4
106.06556	0.6
107.04953	0.4
108.04470	0.5
108.08077	1.3
109.05231	0.3
110.06019	1.1
110.07176	0.4
110.09693	1.4
116.04962	1.5
117.03377	0.6
119.04932	0.6
120.08094	2.3
122.06029	3.6
124.07589	3.3
129.10216	0.8
132.08127	0.5
134.05960	0.7
135.04398	0.4
136.07565	2.4
137.05914	0.5
138.05490	0.4
138.09151	2.0
144.04436	3.3
145.02809	1.4
146.05975	0.7
147.04422	0.5
148.07574	0.5
149.05972	0.4
149.07077	0.5
150.05504	1.8
152.07065	2.3
157.77669	0.3
158.09627	0.8
159.09262	0.4
160.03935	0.6
160.07567	1.3
162.05508	1.9
163.03879	0.9
164.07097	0.5
166.08653	3.2
167.07098	0.7
170.09630	0.8
171.08015	0.4
172.03938	19.5
172.07523	0.7
174.09128	0.5
175.03885	0.5
175.08704	0.8
175.12251	0.6
176.06929	0.6
177.05452	2.6
181.04890	0.4
186.09174	4.8
187.08688	1.7
188.07065	0.5
188.09355	0.7
190.04990	2.5
196.07628	0.6
196.10019	0.3
198.09219	0.7
200.10770	1.4
201.10312	0.4
202.08713	0.6
202.10982	2.5
203.11801	7.0
204.06570	29.5
205.06984	0.4
206.08058	0.4
207.06476	1.6
210.09093	0.3
212.07208	0.4
212.10724	0.4
213.10234	2.1
214.08632	9.4
214.10735	0.6
215.08171	4.7
216.08762	0.4
217.09697	0.7
218.10536	0.3
224.07158	0.3
227.08041	0.5
227.11725	1.5
228.10294	3.2
229.09605	1.6
230.08253	0.4
230.10509	1.3
231.11288	5.9
237.10072	0.3
241.09715	2.2
242.08247	1.7
245.09169	1.0
245.12880	0.5
247.10887	1.4
255.11295	5.7
256.09695	3.2
257.09152	0.7
257.12906	1.5
258.09995	0.6
259.10785	80.2
260.11084	1.2
269.12827	0.3
271.10684	0.9
273.12378	6.9
279.11215	0.4
283.10785	2.9
284.09210	0.6
287.10330	0.7
297.12256	0.9
301.11838	65.6
302.12238	0.8
319.12891	100.0
320.13239	1.8
325.11890	5.9
335.12231	0.9
337.13940	30.5
338.14331	0.7
339.09512	0.4
343.12881	0.7
357.14447	4.8
358.15347	0.5
371.12454	0.5
486.16614	0.7
504.17679	0.5
510.18646	0.6
536.20313	0.3
647.26935	0.6
657.25061	1.1
661.25232	0.4
675.15955	0.6
675.26556	8.0
676.26746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.8
57.07073	1.8
67.05508	3.2
67.05795	0.5
69.07071	1.3
69.86761	2.8
71.08622	1.0
73.02952	0.8
73.06577	0.7
74.44931	0.5
78.49622	0.5
79.05499	1.6
81.07061	3.5
83.08616	1.0
85.10160	0.6
85.22980	0.5
86.09709	0.7
87.04464	0.8
89.06028	3.5
91.05486	1.2
93.07050	1.6
94.82698	0.6
95.08632	2.0
97.10188	0.7
98.21110	1.8
105.07046	1.5
107.08632	1.4
109.10167	1.5
111.93307	0.6
121.10163	0.7
123.11742	0.6
133.08612	1.7
133.10207	1.0
149.06009	2.1
172.88033	0.6
177.11223	0.8
184.04991	0.6
184.07440	2.9
190.05092	0.6
191.07118	1.6
215.06897	2.1
225.79384	0.6
234.05655	0.6
268.62137	0.5
303.07056	0.6
311.42902	0.8
335.22025	1.2
337.27582	1.1
353.23105	2.9
409.25787	1.9
494.30026	0.6
544.68927	0.6
560.41272	0.6
689.37463	6.7
689.49646	100.0
690.50256	4.2
699.41241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.5
56.05011	1.5
57.03401	0.6
58.06590	1.0
58.11554	0.6
60.04491	0.5
66.43009	0.5
68.05008	1.0
69.03420	1.0
69.07045	0.5
69.81628	2.4
70.02926	1.4
70.06596	4.9
71.04957	1.0
72.08163	2.4
74.67766	0.5
81.03468	0.5
82.05299	1.5
83.06106	3.2
84.04507	3.1
84.08114	1.7
85.02870	2.1
86.06074	28.4
86.09682	2.0
87.05566	2.1
88.03973	0.8
89.03928	0.7
91.05467	0.6
95.06103	5.8
96.04488	0.9
97.02895	0.8
102.05548	3.3
105.07031	0.7
107.04974	0.9
107.06081	2.8
109.02956	0.5
110.07164	1.0
112.11237	0.6
113.07085	0.9
114.05527	0.5
116.07082	0.7
119.04933	0.8
119.10976	0.5
122.07159	30.8
123.04441	0.6
123.07916	1.7
127.05039	1.8
129.10294	1.1
132.05563	0.7
133.02777	0.8
133.06346	0.6
133.07672	0.7
135.04465	1.0
135.49612	0.5
137.05954	1.8
138.05475	0.7
139.08649	0.6
141.06580	1.2
143.08305	0.5
145.02863	2.6
145.04930	0.5
146.03142	0.6
147.04404	0.5
148.05005	0.5
149.06006	0.9
149.10759	2.6
150.11502	1.3
151.12302	2.3
152.07114	1.3
155.08157	1.2
157.09731	14.9
161.05925	0.6
161.10748	0.8
163.03911	3.0
163.07588	0.8
163.12329	4.6
164.04207	0.6
167.07008	1.5
169.06119	1.2
169.09863	0.7
172.07436	0.6
172.08737	0.9
173.09213	3.0
176.11879	0.9
177.05470	5.4
178.13403	79.9
179.07056	1.5
179.13820	0.6
181.09811	0.9
184.06036	0.6
185.09233	8.0
188.11850	1.9
189.10257	1.6
190.09743	1.4
190.13396	1.4
192.07765	0.7
193.03278	0.7
193.08594	0.7
195.07645	0.6
200.08189	0.6
201.08701	1.7
202.06131	3.1
204.11316	0.6
204.14931	2.6
209.09290	0.7
211.09578	0.5
214.13391	0.8
216.62262	0.5
220.07330	1.0
220.09691	1.0
228.14943	2.2
230.12885	0.6
232.14543	0.6
233.74409	0.5
237.08727	2.3
238.08195	0.7
240.11363	0.7
242.12930	1.1
246.16011	11.5
256.14398	1.7
257.14059	2.1
258.12543	6.4
259.15552	0.7
265.15549	2.9
271.15619	0.8
274.15558	0.9
275.15179	1.3
285.13583	1.0
286.12033	1.1
292.17694	2.1
297.13330	0.7
301.16641	1.1
303.14554	2.1
314.16281	1.8
316.17587	0.9
317.19757	0.7
319.17606	1.6
320.17160	1.1
330.10141	0.9
332.17288	2.4
345.19391	0.6
349.19827	1.0
360.16486	0.6
371.15491	1.1
372.20276	0.7
443.20331	1.4
461.22388	0.7
489.20432	0.7
549.27631	0.7
646.32745	0.7
662.32916	6.2
672.31366	3.0
673.29504	4.6
690.32104	100.0
691.32727	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24403	1.1
52.66032	0.9
53.03940	2.1
55.01858	1.5
55.05512	10.8
56.85576	1.2
57.03436	1.6
57.07082	7.3
63.92820	1.0
65.03935	2.4
65.92345	0.9
66.76742	1.0
67.05509	23.1
69.03423	4.5
69.07076	38.2
70.06599	14.4
70.47521	2.4
71.04991	8.2
71.08622	4.1
72.08148	5.5
73.06537	1.3
79.05504	8.7
81.03418	2.3
81.07061	81.4
83.08624	18.2
84.04504	1.5
84.08141	6.2
85.02911	11.6
85.06557	6.1
85.10178	2.1
86.09711	6.6
86.44107	1.4
87.04461	1.2
91.05486	7.0
93.07052	20.7
95.05013	2.1
95.08614	100.0
97.02898	3.7
97.06542	7.7
97.10180	11.0
98.97573	1.3
99.08093	7.0
103.05458	1.5
105.07056	7.8
107.04977	1.5
107.08599	24.6
108.08925	1.1
109.02895	1.6
109.06542	1.5
109.10162	68.9
110.07194	3.0
110.10496	1.8
111.04415	1.7
111.08083	6.4
111.11722	10.5
113.09622	2.6
115.05437	1.5
116.07072	1.2
117.03373	2.8
119.04925	2.6
119.08587	4.9
120.08128	2.8
120.72630	1.1
121.06502	3.7
121.10149	22.0
123.04443	1.8
123.11712	43.6
124.12090	1.4
125.09603	1.7
125.13277	4.1
127.03905	3.4
127.11205	20.0
129.09370	1.1
129.10269	3.9
131.04984	1.4
133.10136	4.6
135.11693	17.2
136.07553	2.5
137.05994	11.4
137.13266	22.9
138.06245	1.2
139.11195	2.3
141.12767	4.0
145.02843	6.5
145.04987	2.3
146.03224	1.4
147.04324	1.2
147.11684	4.9
149.05974	2.6
149.13268	32.0
151.03978	1.6
151.07526	4.7
151.14844	13.8
153.05478	2.7
153.12735	4.8
153.39391	1.1
155.14395	2.1
161.05959	2.1
161.13274	3.9
163.03917	3.5
163.06126	1.5
163.07472	1.3
163.14822	16.5
164.07005	1.1
165.12819	1.6
165.16389	4.5
167.07060	4.5
167.14316	2.9
173.13171	1.2
175.07486	1.6
175.14841	2.6
177.05457	15.1
177.16385	8.7
178.05836	3.3
179.17947	3.5
181.04967	2.7
181.15878	2.3
187.07494	2.0
189.16383	1.9
191.17963	4.3
197.18938	1.9
201.05263	6.1
203.17924	4.3
205.19525	8.2
217.04993	1.9
217.19466	5.1
221.05775	1.5
223.20589	21.8
233.05865	1.2
235.07541	2.0
235.20595	3.5
247.24219	2.3
261.25821	2.9
263.06976	3.3
263.27286	2.5
265.25320	5.2
273.25793	19.0
279.06635	1.1
279.26816	14.2
280.07281	1.7
289.25348	1.2
291.26840	73.5
293.07996	1.6
297.11264	1.7
297.27823	1.6
307.05902	1.9
309.07657	2.8
309.27902	45.9
313.10666	1.6
323.09171	9.8
325.10898	1.4
327.28961	19.0
339.12323	1.8
345.30026	11.1
357.13480	1.9
410.49835	1.1
424.93295	1.2
453.32425	1.3
471.33307	1.2
486.15421	2.7
503.52771	1.5
516.16064	2.3
687.26636	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61440	1.0
53.03962	1.0
55.01868	2.5
55.05515	15.4
56.05045	1.0
56.06390	0.9
56.96555	1.2
57.03427	2.1
57.07076	13.4
59.05011	2.3
61.02920	1.7
65.03944	2.4
67.05507	21.9
69.03438	7.0
69.07071	50.2
70.06596	13.1
71.04998	4.7
71.08631	7.2
71.52412	1.2
72.08155	7.5
73.06550	1.5
74.06077	1.3
79.05495	12.9
81.03425	2.2
81.07059	100.0
82.07330	1.0
83.04986	2.1
83.08624	21.3
84.04479	2.3
84.08141	7.4
85.02911	17.4
85.06548	11.5
85.10195	2.8
86.09708	7.5
88.03992	1.5
89.03937	1.8
91.05484	8.6
93.07047	31.9
94.29215	1.0
95.04971	3.4
95.08611	77.9
97.02932	5.3
97.06539	8.1
97.10178	7.1
99.08091	6.8
101.10867	0.9
101.82565	1.3
103.05476	2.4
105.07033	15.1
107.04947	1.7
107.08601	37.9
107.84525	0.9
109.02919	2.2
109.06499	1.9
109.10160	46.8
110.03622	1.1
110.07156	2.8
111.04450	1.9
111.08080	17.9
111.11724	11.8
113.09629	1.6
117.03382	2.9
119.04935	1.6
119.08578	8.5
120.08105	3.7
121.02876	1.4
121.06533	3.8
121.10151	26.6
123.04422	1.2
123.11715	42.7
125.00830	1.0
125.06003	1.9
125.09656	1.9
125.13267	5.2
127.03913	3.6
129.10225	4.4
130.06509	0.9
131.04982	2.3
131.08582	1.3
133.02869	3.2
133.06496	1.4
133.10139	3.9
134.06853	1.0
135.04417	1.3
135.11705	23.8
136.07599	2.5
137.05966	7.4
137.09656	1.4
137.13261	34.6
139.11177	3.1
141.12682	1.0
145.02867	6.0
145.04973	2.5
145.06499	1.3
146.06012	1.2
147.04422	2.6
147.11710	11.2
149.05997	3.4
149.13258	23.1
151.03949	0.9
151.07523	1.5
151.11278	1.1
151.14853	2.8
153.04323	0.8
153.05461	4.7
153.12753	21.7
155.14308	10.2
155.50200	1.0
161.05965	5.1
161.13268	7.0
163.03902	2.3
163.05978	1.3
163.14824	11.9
165.12752	17.8
165.16385	1.9
166.08682	1.8
167.07047	13.1
167.14365	2.9
168.07387	3.9
171.13850	6.4
173.05928	1.1
173.15425	1.2
175.07567	2.2
175.14816	2.3
176.56767	0.9
177.05473	12.2
177.16397	7.2
178.05904	1.6
179.07057	1.3
179.14383	1.2
179.18005	2.5
181.05009	1.0
181.15929	1.2
183.13809	9.2
184.14046	0.9
186.12270	0.9
189.16425	2.5
191.17870	4.4
193.03233	1.0
193.08611	3.9
193.19540	1.0
195.17448	1.5
197.13083	1.5
201.05504	2.5
201.12256	1.4
201.14854	6.5
203.07176	1.0
203.17952	3.4
205.19569	2.5
209.18979	1.7
211.09740	1.6
214.12639	0.9
217.19489	5.4
218.08063	1.0
235.20557	3.0
247.24382	1.1
253.08624	1.0
253.21652	1.3
261.25766	4.4
273.25766	16.2
279.26822	9.9
283.09534	1.0
291.26813	52.6
297.27884	13.9
307.09692	1.0
309.07547	1.7
309.27869	57.3
310.10663	1.3
310.28281	1.2
325.10629	4.6
327.28934	64.4
339.12256	1.7
345.30060	2.8
357.13324	4.2
392.02237	0.9
421.21768	1.8
489.34048	2.7
605.54211	1.0
687.29077	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	685.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20547	0.7
56.96593	1.0
59.08524	0.7
98.20715	1.4
107.47043	0.7
118.22253	0.7
137.05991	3.9
147.15245	0.8
177.05458	1.1
185.04231	2.2
226.11270	1.7
229.06514	0.7
355.61194	0.8
380.13107	4.2
426.79724	1.1
452.72964	0.8
479.35211	2.1
520.98407	0.8
523.34076	12.0
685.39270	100.0
686.39783	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72901	0.9
55.05500	3.8
56.96297	1.5
56.96568	21.4
57.07083	1.2
61.02905	0.9
67.05497	3.1
69.07062	3.8
70.06590	5.2
71.17857	1.6
71.18195	0.9
72.08161	1.2
79.05502	2.0
81.03401	0.9
81.07053	7.2
82.07400	1.2
83.08624	2.0
84.08135	2.4
84.96049	3.9
85.02909	2.6
86.09711	2.6
89.03919	1.3
89.06015	2.6
91.05501	2.9
93.07048	5.1
95.08615	6.8
96.08938	1.3
97.96822	1.1
98.96944	1.7
98.97590	31.2
103.05484	1.0
105.07024	2.8
107.04918	1.1
107.08622	4.6
109.10154	4.8
110.07164	1.1
110.97582	10.6
111.08102	1.6
112.99151	2.2
116.98627	9.5
117.03383	1.4
119.08616	1.4
120.08155	1.4
121.06482	2.2
121.10168	2.8
123.11724	3.2
128.98610	7.7
129.10258	1.7
131.00197	1.9
133.10156	1.6
133.70154	0.8
134.99644	2.1
135.11714	1.6
137.06021	4.3
137.13280	1.4
140.98633	1.6
141.02249	1.4
143.00211	3.2
144.98050	1.8
145.02861	5.1
146.99681	2.2
147.11670	1.4
149.06029	1.1
149.13284	1.9
152.98637	1.8
158.99678	7.4
159.03300	1.5
161.01236	1.8
163.14859	1.6
167.07060	1.7
170.99643	6.2
173.01222	1.2
177.00729	5.6
177.05518	9.2
182.99623	1.0
189.00650	2.3
200.02171	1.2
201.00787	2.2
203.17863	1.3
216.06635	1.4
219.01747	20.1
233.08415	1.0
237.02815	23.2
237.05153	1.4
242.03346	1.8
243.01668	1.2
249.11702	1.3
257.12338	1.6
259.13797	3.3
260.04572	1.2
261.02847	1.0
267.12778	2.5
273.25824	1.8
274.26193	1.9
275.13193	1.2
277.14767	13.1
279.16437	1.1
279.27017	1.3
286.23862	0.9
291.26904	4.0
292.24225	0.9
292.27283	3.7
301.14807	4.9
303.00995	5.0
305.02722	3.9
309.27823	7.5
310.28366	5.5
319.15924	3.7
327.28949	1.0
331.15759	1.3
361.16977	1.6
403.18170	4.2
421.18988	70.1
422.19318	1.6
423.20657	6.2
439.20087	15.3
463.20004	11.8
465.21429	1.5
481.20978	5.9
493.21045	6.3
507.19910	5.7
549.20062	1.4
583.24292	1.6
601.25439	10.3
643.26892	25.6
660.20770	1.1
687.26251	100.0
688.26990	1.7
709.34399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38924	0.2
54.22992	0.2
63.02382	0.4
65.03955	0.2
70.00682	0.6
70.06616	0.2
78.04755	0.3
89.03915	5.5
91.05482	2.8
92.70496	0.2
95.04975	0.8
103.05502	0.3
106.04181	0.4
115.05465	0.5
116.33221	0.2
117.03384	17.0
119.04958	1.8
121.06525	0.4
125.50393	0.2
132.25620	0.2
134.03622	0.9
134.06033	0.2
135.04433	0.7
136.05199	0.5
137.05991	1.9
143.04903	0.8
144.04376	0.2
145.02847	43.3
146.03198	0.4
149.05980	5.9
151.03918	0.2
151.07549	5.2
158.06067	0.3
162.03177	0.3
163.03900	0.5
165.05450	0.3
167.06966	0.2
175.07607	0.9
176.07083	0.6
177.05470	100.0
178.05737	1.0
186.05493	1.4
191.07086	0.2
194.08127	5.9
224.11606	0.2
239.10675	0.2
267.10217	0.2
285.68445	0.2
299.12604	1.1
305.36868	0.2
308.06750	0.2
316.15439	1.3
324.85065	0.2
325.10648	0.5
342.13281	1.0
349.67261	0.2
351.08481	0.4
368.14960	0.2
492.20157	12.5
493.20197	0.4
509.15915	0.3
509.22769	3.4
518.18042	0.3
685.26770	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01862	0.5
65.03919	1.2
69.27525	3.1
71.04997	0.6
78.04677	0.4
78.63555	0.3
79.05492	0.7
85.44490	0.4
86.09609	0.3
88.60300	0.3
89.03927	2.8
91.05488	15.3
93.07045	0.4
95.04977	2.9
103.05440	0.6
105.07036	0.5
107.04953	0.7
115.05437	1.0
117.02621	0.6
117.03381	7.3
117.06995	0.4
119.04126	0.8
119.04942	12.7
121.06458	1.1
122.03600	0.4
133.02856	0.7
133.06439	0.4
134.03607	1.0
135.04382	1.4
136.05219	2.0
137.05972	8.3
143.04913	1.6
145.02850	16.4
145.03996	0.8
145.06461	1.0
147.04410	1.4
148.01529	0.4
149.05992	4.9
150.06705	1.0
151.03874	1.1
151.07547	28.5
156.55525	0.4
158.03622	1.0
160.05185	0.6
161.05969	1.0
163.03990	1.8
163.05135	0.5
168.10197	6.6
173.05980	3.2
175.03923	2.2
175.07507	1.3
176.07193	0.7
177.05484	32.2
177.06952	2.0
179.05803	0.5
180.62573	0.3
186.03130	5.6
187.03786	0.4
187.07480	0.4
189.05511	0.6
189.07056	0.5
191.03362	0.4
191.08580	0.6
193.04732	0.4
194.08170	21.0
195.06479	0.6
195.08107	0.6
196.05495	0.4
200.04778	0.4
201.05463	13.7
203.06979	0.8
204.05736	0.8
205.06496	9.6
206.07275	0.7
207.08127	0.8
209.09590	0.6
211.07678	0.5
217.06488	0.8
219.08043	1.7
220.05232	0.9
221.06041	2.8
221.09424	0.5
222.06763	5.7
223.07501	0.7
227.07005	1.4
232.05148	0.5
233.05983	12.2
234.06763	3.3
235.07526	1.5
236.04616	0.7
236.08385	0.6
237.05389	1.0
237.09099	7.4
239.07059	0.9
239.10803	0.4
240.07762	0.4
242.76794	0.4
247.07509	3.3
248.04695	0.4
248.08386	0.8
249.05540	3.2
250.06256	9.5
251.07016	2.2
254.05649	0.7
260.04709	0.4
261.05591	2.1
262.06305	1.3
263.07037	2.3
264.07825	5.1
265.05057	3.4
265.08600	16.1
266.06073	0.4
266.09335	1.5
267.06567	2.5
269.11981	0.4
275.07138	1.2
276.04214	0.6
277.04953	2.7
277.08353	0.8
278.05774	6.0
279.06497	1.7
279.10123	2.6
280.07245	2.1
281.08191	0.7
282.08850	3.1
283.09631	0.8
291.06567	2.1
292.07297	16.0
293.04498	4.4
293.08087	19.7
294.08704	1.1
295.06076	1.7
295.09747	1.1
297.11172	2.9
299.12802	2.9
302.13916	1.5
304.03687	1.3
305.07928	0.4
307.09647	31.9
308.06790	21.6
308.09760	0.7
309.07587	0.9
310.08255	3.6
319.05777	1.8
321.03943	0.8
323.09140	11.1
325.10703	100.0
326.10989	1.6
327.12396	0.5
336.06345	4.0
342.13440	1.0
351.08636	51.9
352.08911	0.8
366.95544	0.4
368.11209	0.9
492.20166	29.1
509.22867	4.7
518.18030	6.5
531.30731	0.4
618.69427	0.4
685.27411	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	685.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.4
65.03928	2.2
68.90903	0.3
70.06560	0.7
73.57526	0.4
89.03876	1.0
91.05486	37.9
93.07001	1.0
95.04975	8.8
95.80740	0.4
103.05454	0.5
105.04515	0.4
105.07015	0.6
110.03609	0.7
115.05405	1.1
117.03405	1.9
117.06970	1.0
119.04948	29.5
121.06520	2.5
123.04424	0.4
123.08093	1.7
125.05955	0.7
130.04169	0.5
133.02818	0.4
136.05211	5.0
137.06004	3.8
141.03348	4.4
143.04909	0.4
145.02840	4.2
145.06468	0.8
149.05931	1.6
151.07549	85.9
152.07912	0.7
160.05205	0.4
162.03142	0.4
163.07472	0.6
164.65785	0.3
165.05487	0.5
167.06990	0.9
173.05960	1.5
176.07014	0.5
177.05487	6.4
177.06934	0.4
178.05791	0.9
178.07445	0.4
181.04883	0.8
186.03073	1.2
191.07065	5.2
194.08150	4.3
201.05344	88.3
202.05659	1.7
203.07021	0.5
205.06424	1.6
207.07964	1.0
217.06612	0.5
220.05203	6.2
226.04932	1.0
231.06529	4.0
232.05202	0.7
233.06012	0.9
234.06795	0.6
235.07553	17.5
236.08147	0.5
237.05450	1.5
237.09140	2.6
239.07037	0.5
244.06082	6.6
247.07622	0.9
248.04697	5.7
249.05455	1.4
250.06178	1.1
251.06960	0.8
252.07848	0.7
256.06113	1.5
260.04672	3.0
261.05313	0.8
263.07053	23.9
264.07693	1.9
265.04953	4.6
265.08569	4.9
267.10223	0.8
270.07556	1.3
278.05807	0.7
280.07300	10.7
282.08789	2.5
288.04193	0.5
291.06528	7.5
293.08023	1.2
295.06451	0.6
295.09619	2.5
297.08084	0.4
297.11115	2.1
299.09235	0.8
306.05252	1.0
308.06787	4.8
312.06299	0.8
312.09830	0.6
313.10706	4.2
319.05887	0.4
321.07593	7.6
323.09137	100.0
324.09528	1.6
325.10666	1.2
327.08591	0.6
351.08694	1.0
353.10187	5.5
368.11029	0.5
376.11548	0.6
389.62656	0.3
394.12872	49.6
395.13174	1.2
490.18640	22.6
491.18887	0.7
492.20020	1.1
500.72220	0.4
509.23462	0.4
518.18127	71.8
519.18616	2.3
520.19678	1.8
685.26862	1.5
685.38739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.2
57.35767	0.2
63.02372	0.9
69.35669	1.6
70.06591	0.5
72.08142	0.2
78.04704	0.8
78.72762	0.2
84.08146	0.4
86.09703	0.6
89.03918	11.8
91.05470	1.2
93.07028	0.2
95.04948	0.4
95.08597	0.2
103.05463	0.4
105.03369	0.2
105.06989	0.2
106.04157	0.7
115.05444	0.3
117.03383	30.4
119.04964	0.5
120.08057	0.2
121.06478	1.0
129.10211	0.4
129.29393	0.2
131.04958	0.3
134.03629	1.9
135.04414	1.8
137.05969	1.1
141.01892	0.2
143.04915	0.3
145.02849	73.6
146.03210	0.4
147.04376	0.3
149.05984	9.3
151.07535	1.0
158.06017	0.5
162.03102	0.5
163.03893	0.9
163.07545	0.3
175.07600	0.3
177.05472	100.0
178.05844	1.2
179.08528	0.4
181.05002	0.2
186.05495	2.7
191.07027	0.4
191.08571	0.2
203.07065	0.7
205.06537	0.3
207.08119	0.5
219.08076	0.3
222.06708	0.3
223.07745	0.3
224.08301	0.4
233.06020	0.7
234.06609	0.4
235.07613	1.3
239.10728	1.0
249.09213	0.5
250.06317	0.6
251.07018	0.3
252.07704	0.5
253.08572	0.5
255.10100	0.3
261.05472	0.8
264.07819	0.3
265.08627	0.9
266.09845	0.2
267.06497	0.3
267.10184	1.4
268.10873	0.3
269.08200	0.5
269.11728	0.6
270.08820	0.2
278.05658	0.2
283.09680	1.4
284.10480	0.8
285.11301	0.3
292.07376	0.5
293.08078	1.2
293.11127	0.2
293.32401	0.2
297.11441	0.3
299.12784	2.9
307.09570	1.3
316.15457	2.1
323.09274	0.2
324.12527	0.2
325.10718	3.8
326.10550	0.3
333.18079	0.5
342.13364	8.4
351.08612	0.8
368.11148	0.5
368.15091	0.5
457.16510	0.5
475.17719	0.3
492.20233	4.9
509.22855	60.2
510.23575	1.4
518.18127	3.0
535.20886	0.5
685.27521	8.1
685.39465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01859	0.7
55.05523	0.3
56.05024	0.6
57.03424	0.9
61.02916	1.3
64.96394	0.3
65.03933	1.4
65.72166	0.3
66.04708	0.3
66.27026	0.3
67.05496	0.3
69.03440	3.7
70.06261	0.4
70.06596	4.7
71.04978	0.5
71.51955	0.5
72.08161	1.5
73.02911	0.6
79.05474	1.2
81.03429	1.6
81.07050	2.0
84.04485	0.8
84.08140	2.2
85.02903	8.3
86.09702	2.1
87.04449	0.7
88.60156	0.3
89.03904	0.5
91.03947	0.4
91.05483	16.2
93.07028	0.4
93.22213	0.3
94.04191	2.9
95.04453	0.4
95.04972	3.6
95.08609	0.6
97.02904	2.7
98.06113	0.3
99.04415	0.5
101.07085	0.3
102.05541	0.6
103.05427	0.4
104.05313	0.4
105.07018	0.7
107.04941	1.2
109.02870	1.0
109.05811	0.6
109.06521	8.0
110.07155	0.7
115.05460	1.2
115.08680	0.4
117.03366	1.3
117.07028	0.4
119.04945	11.3
119.08524	0.3
120.08089	0.8
121.06481	0.9
122.03654	6.6
123.04406	0.5
123.08052	0.6
125.05979	0.3
127.03085	0.2
127.03928	1.4
129.10202	1.4
131.04918	0.5
133.10149	0.4
135.04379	0.7
136.05202	2.2
136.07591	0.5
137.05980	100.0
138.06332	0.6
141.03363	1.0
143.04887	0.5
144.05699	0.3
145.02846	2.7
145.04941	0.6
145.06454	0.5
147.04350	0.4
149.06047	1.5
151.07545	57.7
152.07925	0.5
153.05417	0.3
160.05202	2.8
161.06001	2.3
163.03790	0.5
164.07048	2.0
166.08665	0.4
167.07022	1.1
168.10205	24.7
172.05174	1.0
173.06039	0.7
174.13426	0.3
175.07559	6.8
176.07056	0.6
177.05475	5.3
181.04906	0.4
186.03065	0.5
187.07535	4.3
188.04716	0.4
188.08365	0.4
189.07074	0.3
190.02747	0.4
191.07034	1.9
191.08470	0.4
194.08136	5.2
194.66246	0.3
201.05380	48.6
202.05887	0.5
202.07907	0.3
203.07019	0.7
204.06709	0.4
205.04881	0.5
205.08444	0.3
206.07469	0.3
213.05489	0.3
216.04198	0.5
217.06467	0.8
218.07208	0.5
219.08098	1.4
230.08063	1.0
231.06508	10.7
234.06773	2.3
235.07468	0.7
236.08331	0.5
237.09093	0.4
246.06676	0.5
247.07599	1.6
248.08241	0.7
249.09142	3.3
251.06923	0.7
251.10738	0.9
253.08665	0.4
261.09018	1.0
262.06323	1.7
263.06973	1.7
264.07800	0.7
265.08688	1.6
266.09320	0.6
268.07248	0.3
272.95724	0.3
276.07825	0.5
277.08615	8.1
278.09241	0.7
279.06854	1.8
279.09802	1.7
281.08017	0.7
283.09714	1.7
291.10059	0.4
293.08026	0.9
293.11542	0.4
294.08847	2.2
295.09521	1.3
296.10382	2.4
305.08084	3.1
306.08670	0.5
307.06155	0.6
309.11221	5.5
310.11612	0.4
311.12881	1.8
322.08484	1.3
325.10474	0.4
337.10718	14.6
338.11230	0.3
354.13391	0.4
355.11752	23.9
356.12125	0.3
368.14975	6.3
380.14984	0.7
458.45319	0.3
469.29034	0.4
504.20206	8.6
505.20157	0.4
517.16980	0.4
522.21240	65.3
523.21674	1.9
634.23669	0.7
666.25385	1.5
684.25824	1.4
684.36462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01617	0.4
53.03949	0.4
59.03075	0.3
63.02382	0.7
65.03954	0.4
67.05519	0.5
69.15399	0.3
70.06593	1.1
71.52057	0.3
74.51916	0.3
74.66341	0.3
79.05504	0.7
81.07098	0.4
84.08157	0.6
85.02908	0.8
85.52063	0.3
86.09713	1.0
89.03925	8.0
91.05487	6.2
93.07062	0.9
94.04185	0.4
95.05000	1.0
95.08606	0.7
103.05477	1.3
106.04158	0.8
107.05006	0.7
107.08601	0.5
109.10145	0.6
117.03387	21.7
119.04946	3.2
121.06536	2.3
122.03665	0.7
123.04459	0.3
129.10210	0.5
131.04979	0.7
132.04507	0.6
133.02876	0.5
133.06471	0.7
134.03667	1.8
135.04424	2.6
135.11699	0.4
136.05223	1.5
136.07571	0.4
137.05980	10.2
145.02856	51.2
147.04417	1.3
149.04820	0.7
149.05997	8.4
150.06734	3.4
151.03931	1.9
151.07550	5.6
158.06015	0.6
159.04437	1.2
160.05276	0.5
161.05988	1.6
163.03912	1.3
164.04729	1.0
164.07153	0.6
166.08673	0.7
173.13257	0.4
175.03908	1.4
175.07553	0.7
177.05484	100.0
178.05846	0.9
178.80986	0.4
181.04987	0.6
186.05527	2.3
187.03943	2.8
192.06558	1.2
193.04906	0.9
195.06512	2.6
201.05495	0.8
205.04886	0.5
205.06561	0.5
209.09549	0.6
218.08116	0.7
220.05499	0.4
221.06114	0.5
222.06825	0.5
223.07513	0.6
233.05975	0.5
235.07605	1.2
237.05421	0.8
237.09154	1.6
238.06342	0.4
239.07137	0.8
241.08600	0.5
248.04858	0.4
249.05467	1.3
250.06203	0.7
251.07253	0.7
252.07846	0.5
253.08601	0.4
263.06989	1.8
265.05060	3.2
265.08292	2.0
267.06622	1.1
269.08203	0.9
269.11639	0.5
277.04904	0.4
278.05801	0.4
279.06467	1.2
280.07263	0.7
280.09866	0.4
281.08142	0.9
282.08917	3.7
283.09616	1.2
284.10385	0.8
291.06595	1.2
292.07364	0.8
293.04462	3.7
293.08093	1.2
295.06097	0.5
295.09421	0.7
297.11133	1.1
307.09756	0.8
308.06778	25.8
309.07452	1.1
310.08310	1.9
311.09164	1.6
319.05887	0.6
323.09152	1.4
325.10736	18.1
336.06195	0.6
340.11786	2.6
341.12674	1.6
342.13425	3.1
351.08661	27.2
353.08847	0.4
368.11325	10.5
380.10953	0.4
383.15994	0.4
392.11307	1.6
490.18573	1.0
492.19858	0.6
507.21460	2.9
516.16357	2.3
518.18158	21.1
519.18085	0.5
554.34576	0.4
559.20508	0.6
666.22656	0.5
683.25653	3.5
683.35657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01862	0.5
55.05496	0.3
56.05037	0.2
57.03432	1.2
59.05009	0.2
61.02914	0.6
65.03916	0.3
67.05498	0.3
67.46424	0.1
68.99783	0.6
69.03429	10.0
69.53831	0.9
70.06593	2.4
71.01335	0.2
71.04984	0.4
72.08163	0.8
72.82783	0.1
73.02907	0.8
74.06069	0.3
79.05483	0.2
81.03416	4.0
83.01337	0.2
83.04978	0.3
84.04500	0.3
84.08144	1.1
85.02903	7.0
86.09727	0.9
87.00828	3.5
87.04472	1.7
91.03934	0.5
91.05471	0.5
93.03378	0.3
93.07003	0.1
95.04958	0.6
97.02888	5.6
97.06508	0.2
99.04454	1.6
101.02372	0.2
102.05489	0.3
103.05451	0.4
105.01858	1.6
106.65950	0.1
107.04961	0.4
107.08577	0.1
109.02874	3.2
110.07137	0.3
111.00830	0.9
111.01446	0.1
111.04416	0.4
113.02398	0.3
115.03941	1.9
116.07097	0.3
116.61041	0.1
117.01855	0.9
117.03359	0.3
117.07064	0.1
117.64677	0.1
119.04943	0.3
120.08091	0.4
121.02853	0.8
121.06528	0.4
123.04452	0.7
125.02378	0.2
127.03914	4.1
129.10229	0.6
131.04945	0.3
133.04970	0.9
133.06454	0.3
135.04382	0.3
136.07590	0.2
137.02341	2.5
137.03365	0.1
137.05972	1.2
139.03902	0.3
145.02834	0.5
145.04968	2.2
145.06221	0.2
147.04356	0.3
149.02376	0.5
149.05954	0.4
151.03879	0.4
151.07553	0.2
153.01820	3.0
153.05469	0.2
159.02890	3.1
161.05956	0.5
161.52400	0.1
163.03883	0.9
163.07428	0.2
165.01843	1.8
165.05496	0.2
165.06776	0.2
167.07076	0.8
169.04924	0.2
171.02885	0.2
173.05988	0.3
175.03815	0.1
175.07484	0.3
177.05457	1.4
181.04964	0.3
183.02914	1.0
183.04295	0.2
187.03856	0.4
189.03918	0.4
189.94910	0.2
193.08636	0.2
195.02977	0.3
195.06592	0.3
201.05473	1.5
205.04913	0.2
213.03870	0.4
223.05928	0.2
229.04955	3.5
229.06746	0.1
231.04974	4.0
235.07576	0.2
241.07062	0.5
247.05988	0.6
249.05984	0.6
257.04404	2.3
259.08041	0.2
262.06244	0.2
263.07022	0.3
273.06021	0.4
274.04620	0.7
281.08026	0.2
285.03912	1.1
303.04974	100.0
304.05319	1.2
313.10690	0.3
315.05023	0.6
323.09070	0.3
327.07349	0.4
341.10156	1.2
345.08636	1.6
359.11212	0.8
363.09134	0.6
369.06064	0.3
411.07193	0.2
417.14923	0.2
435.09109	0.5
522.20898	0.2
533.09045	0.3
551.10052	0.6
645.80579	0.2
683.26508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05506	2.4
56.96569	7.3
57.03443	1.0
57.07070	0.7
60.37068	0.5
62.98974	0.4
65.03945	0.5
67.05509	4.3
67.12889	0.5
69.03434	0.9
69.07057	1.5
70.06589	1.5
70.87123	1.1
71.04993	0.6
72.08179	0.5
73.02904	0.4
73.89066	0.4
76.96285	0.4
78.16476	0.4
78.41541	0.4
79.05497	5.6
81.03465	0.4
81.07061	25.7
83.04975	0.4
83.08612	0.8
84.08144	0.6
84.96040	1.2
85.02918	2.7
86.09724	1.0
91.05486	8.2
93.05542	0.6
93.07049	14.3
95.01334	1.8
95.04991	2.0
95.08614	17.8
97.02921	0.6
97.06538	2.3
97.10117	0.6
98.97593	9.8
99.04426	0.5
99.97940	0.5
103.05452	0.9
105.07039	21.7
106.88489	0.4
107.08601	16.3
109.06509	0.9
109.10158	6.6
110.97583	2.1
112.99144	0.5
113.02351	1.0
116.98621	2.6
117.07021	2.0
119.08586	55.0
120.08910	0.6
121.06500	1.7
121.10149	30.3
123.08072	4.6
123.11702	1.3
124.99100	0.9
125.09666	1.0
128.98596	1.1
129.07001	0.7
129.10254	0.7
131.08568	3.2
133.10143	17.1
135.08054	1.8
135.11697	15.7
135.12729	0.8
136.92148	0.6
137.06023	0.7
137.09637	2.1
140.98618	0.9
141.01822	3.0
142.07796	0.5
143.00198	2.2
143.08542	1.9
145.10112	2.1
147.08047	1.5
147.11690	8.5
149.09634	0.9
151.07492	0.6
152.98578	2.3
153.98959	0.6
154.93262	1.2
155.00174	0.5
157.10129	2.7
158.99692	3.9
159.11697	9.7
159.99939	0.6
161.01224	1.3
161.09674	3.3
161.13264	34.4
162.13596	0.6
165.09111	1.1
167.14214	0.4
170.99641	1.9
171.11661	0.9
172.00012	0.6
172.94298	1.2
173.13293	0.7
175.11159	1.6
175.14845	1.1
177.00746	1.9
177.05475	1.2
182.99644	1.1
189.16389	100.0
190.16722	1.4
190.95346	0.5
199.14853	3.0
201.00708	3.5
202.01117	0.8
213.16243	0.5
214.95323	0.8
217.15883	29.8
219.01779	8.3
220.02080	1.8
235.16930	7.3
237.02779	3.6
238.03194	1.3
238.95262	0.7
250.95345	1.2
251.95764	0.5
256.96356	0.5
259.13702	1.0
261.02841	0.9
268.96478	0.8
274.97626	0.5
277.14771	1.3
278.15128	1.5
280.96231	1.1
291.19501	0.7
298.97388	1.6
299.97699	0.7
309.20609	21.9
311.16354	1.2
316.98575	2.5
317.98911	0.8
321.20377	0.7
323.09146	1.0
347.18460	0.8
357.10306	0.6
358.10629	1.2
375.18091	0.9
393.19064	5.2
421.18637	0.5
422.19238	1.1
423.20609	0.6
461.02817	0.8
462.02988	0.5
467.22699	1.0
485.23538	1.0
501.14694	7.3
502.15012	23.3
503.14752	1.4
504.16559	0.9
520.15979	0.7
562.97668	0.5
584.42975	0.4
617.16864	0.5
682.21405	4.9
706.39099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	3.1
55.05515	32.2
57.03441	5.1
57.07077	16.3
61.02921	13.4
67.05509	41.3
68.84087	2.3
69.03413	3.3
69.07074	48.3
71.08620	13.7
73.02909	5.9
79.05489	15.5
81.07059	39.5
83.04975	2.5
83.08620	35.8
85.02914	18.8
85.10184	5.4
90.56937	2.6
91.03967	16.2
93.07039	20.4
95.08609	38.9
97.02901	10.0
97.06543	7.6
97.10173	22.6
107.08585	20.5
109.10165	22.0
111.08086	5.8
111.11713	6.7
121.10146	40.9
123.11684	6.8
127.03925	5.6
135.11711	29.9
145.04955	9.2
149.13283	9.1
151.14818	5.5
163.06021	9.1
163.14761	2.7
165.16391	3.0
181.15860	2.5
212.78416	2.5
224.70906	2.5
247.24242	31.6
265.25296	91.8
283.26367	20.6
339.28940	100.0
357.30029	36.7
496.10013	2.6
501.34290	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	681.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.08662	0.5
55.05505	1.6
56.05021	0.5
56.96563	21.6
65.03941	0.5
67.05505	4.6
69.07063	1.2
70.06584	3.3
71.52067	0.8
71.95271	0.9
72.08135	0.9
74.97619	0.9
79.05499	3.5
81.07061	6.3
84.04493	0.7
84.08146	1.8
84.96027	6.0
85.02882	0.5
86.09688	1.5
89.06044	0.8
91.05475	5.4
93.07046	7.8
95.04977	0.7
95.08606	5.0
97.02907	0.7
97.96824	0.8
98.97583	68.0
100.11237	1.4
102.97067	0.9
105.07029	7.2
107.08601	6.5
109.02885	1.1
109.10159	4.1
110.97562	9.8
112.99146	2.2
115.97833	0.6
116.98624	18.1
117.03363	0.8
119.08578	3.7
120.08085	1.2
121.10134	1.5
123.11716	0.6
124.99126	3.1
126.97021	0.9
127.08615	0.5
128.98596	7.1
129.10188	0.7
131.00214	1.9
133.10153	2.1
134.99666	2.5
136.92186	2.4
136.99149	0.9
137.05972	1.1
138.01758	0.5
138.97066	0.7
139.00623	0.6
140.00224	1.9
140.98589	3.9
141.02225	2.5
143.00163	11.4
144.98096	2.2
145.02858	1.4
146.99626	3.0
147.11716	3.2
149.01189	0.8
152.00143	0.7
152.98587	10.2
154.93227	5.1
155.00166	1.4
156.98122	1.7
158.99658	41.1
159.03230	1.2
160.97696	0.6
161.01224	7.5
162.99142	0.8
163.03983	0.6
165.09077	2.5
168.98196	0.9
170.99649	11.9
172.94284	6.3
173.01280	1.7
174.99182	2.0
175.06079	0.6
175.07582	0.5
177.00717	21.3
177.05507	2.6
179.02299	0.7
180.94753	0.9
182.99649	4.3
185.01152	1.5
186.99168	1.4
189.00713	5.8
190.95372	3.0
191.02350	0.5
194.99768	0.5
195.01770	0.8
196.94249	2.7
198.95790	0.6
198.99174	2.1
200.02328	1.5
201.00693	14.8
201.05568	0.6
203.02309	1.1
205.00218	1.3
207.01736	1.0
208.94354	0.6
209.08438	1.1
213.00787	0.8
214.95326	6.4
217.00227	2.9
219.01764	49.8
224.02345	0.8
226.95343	1.4
227.09508	0.9
229.00266	1.0
232.94427	1.3
232.96481	1.7
235.01154	1.0
237.02827	22.1
237.96939	0.5
238.95413	2.0
240.96922	2.4
242.03409	2.0
243.01872	0.8
244.96408	2.0
250.95390	5.2
253.02489	1.6
255.03996	1.0
256.96371	5.0
257.12234	0.7
258.98013	1.4
259.13742	2.1
260.04517	0.6
261.02866	5.0
267.12784	2.0
268.96368	4.4
274.97455	7.7
275.13254	2.3
277.02411	2.0
277.14740	16.8
279.03851	2.5
279.16321	1.5
280.96320	3.1
286.97409	1.3
293.14127	0.6
295.03412	1.3
295.16006	1.2
297.99045	0.7
298.97433	11.5
299.00723	0.8
301.14743	3.2
303.16281	1.2
316.98511	18.5
319.15698	3.3
332.98087	1.6
334.99524	6.6
335.03210	0.6
337.04538	0.7
339.05966	0.7
339.09293	2.7
340.00153	1.2
343.15887	0.6
357.10413	8.2
358.99515	2.9
361.17084	1.4
403.17801	0.7
421.19003	14.2
423.20639	1.9
439.20172	6.9
461.02707	3.1
462.76147	0.6
475.00809	1.0
477.02271	9.3
479.03830	13.0
481.20920	1.0
483.14041	0.7
493.01715	1.3
501.14658	100.0
502.15250	2.2
503.16232	4.9
519.15656	9.3
537.16724	1.2
542.17297	1.9
561.17004	2.5
604.93048	0.6
680.50806	1.7
681.20959	46.4
682.21252	1.0
699.21863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38770	1.0
53.03935	1.6
55.05508	5.0
57.03439	2.3
57.07088	1.6
61.02925	2.0
62.01577	1.0
67.05508	6.7
69.03425	4.7
69.07069	8.3
70.10160	1.1
70.10508	4.3
70.29768	0.9
73.02927	1.2
79.05493	5.3
81.03463	1.9
81.07061	18.8
81.13363	0.9
83.08624	3.0
85.02439	1.4
85.02911	18.5
85.06544	1.1
85.10246	0.9
91.03965	1.4
91.05502	5.5
93.07055	17.2
93.82515	0.9
95.08614	46.9
97.02899	6.0
97.10182	2.1
102.80101	0.9
104.96232	0.9
105.07040	21.7
105.07702	1.8
107.08598	26.2
109.02882	1.4
109.10171	26.5
111.08099	2.6
117.07047	1.2
117.70977	1.0
119.08591	22.1
121.10148	32.7
123.11736	9.0
127.03956	4.5
131.04951	1.6
131.08585	21.6
133.10135	22.0
135.11710	22.8
137.13321	2.6
143.08560	4.5
145.04997	5.9
145.10129	22.3
147.11684	22.1
149.13272	14.6
151.11191	1.0
156.09483	0.9
157.10143	5.1
158.10918	3.2
159.08072	1.2
159.11703	43.8
161.11975	0.8
161.13261	25.0
161.14626	1.3
162.07645	3.5
163.07533	3.2
163.14832	23.9
169.10129	1.0
171.11728	8.6
173.13277	61.6
175.14825	21.6
177.16357	4.9
180.08675	19.2
185.11792	1.7
185.13261	12.2
187.14830	77.1
188.15164	1.1
189.16414	13.2
191.17957	100.0
192.18263	0.9
193.12270	2.9
197.13327	1.2
199.14803	5.6
201.12758	2.0
201.16374	9.8
203.17970	25.8
205.19519	7.3
207.13792	6.8
207.17467	3.2
211.14806	1.4
213.16379	7.1
215.14526	1.6
215.17970	16.3
217.19569	11.4
219.13809	10.7
219.21150	1.8
221.15395	5.7
221.19054	3.8
227.17958	2.3
229.19594	3.3
231.13829	2.2
231.21039	1.3
233.15379	22.6
233.18948	1.5
235.16907	7.0
241.19621	1.8
243.21214	1.9
245.15483	6.3
247.16948	62.7
249.18579	2.4
253.19322	1.2
255.21169	1.7
259.16983	4.8
261.18530	3.0
269.22675	2.3
273.18512	6.5
275.20096	6.1
289.21603	3.7
291.15909	3.6
293.17554	5.1
305.17468	1.9
315.23358	2.0
319.19104	3.5
321.25827	1.5
377.32001	10.0
387.25067	1.5
395.33231	23.9
405.31628	1.9
423.32703	6.3
437.28122	1.5
437.34216	32.2
438.34219	1.5
441.33405	1.6
455.35248	85.6
456.35300	2.0
465.33810	4.1
483.34738	97.0
484.35010	2.2
501.35718	7.6
518.38190	1.3
680.43378	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
55.05516	22.6
57.03443	7.3
57.07076	13.7
61.02930	18.7
65.03936	2.1
67.05508	78.9
69.03425	4.1
69.07069	30.3
70.32321	1.9
70.32698	2.0
71.04983	2.2
71.08633	6.7
73.02918	7.6
79.05495	21.1
81.03430	1.7
81.07058	97.7
83.04961	2.5
83.08618	19.8
83.66495	1.2
85.02907	20.4
85.06538	3.2
85.10168	4.4
91.03955	17.7
91.05475	19.2
93.07046	30.5
95.04954	1.8
95.08608	79.3
97.02885	10.1
97.06525	10.7
97.10170	14.9
99.04465	1.9
99.08101	5.0
105.07030	13.8
107.08599	16.7
109.02831	1.2
109.10157	42.6
111.08081	4.6
111.11731	3.6
113.09637	2.3
119.08586	14.3
121.10146	23.5
123.11714	22.5
125.09659	1.8
125.13297	1.8
127.03942	7.7
131.08586	1.1
133.10121	20.0
135.11687	14.8
137.09662	2.6
137.13245	7.5
141.12750	4.7
145.04953	8.4
147.11710	12.6
149.02434	1.4
149.13255	10.8
151.11179	2.5
151.14816	7.9
155.14305	5.0
161.13252	13.1
163.06038	14.0
163.14824	12.5
165.12778	1.8
165.16379	11.0
167.14308	1.5
175.14821	10.8
177.16348	1.5
179.14214	1.9
179.17943	7.9
181.15732	1.3
181.60785	1.2
189.16402	4.4
193.15900	2.1
201.07739	1.6
203.17924	1.4
217.19560	1.8
245.22658	61.3
263.23703	100.0
265.25302	1.5
267.50946	1.2
281.24796	2.5
326.76834	1.3
337.27368	71.2
338.27893	1.4
339.27505	2.2
355.28400	10.3
455.98883	1.1
456.68719	1.4
481.31561	2.7
499.32806	7.3
529.96161	1.3
591.20599	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96819	1.2
53.03946	1.1
55.05508	1.6
61.96266	1.2
65.03942	1.3
67.05504	2.4
69.03406	1.3
70.06599	9.7
72.08151	3.4
79.05489	3.5
81.07048	1.5
82.06587	3.0
84.04507	1.7
84.08137	3.5
85.02938	1.5
86.09718	7.5
86.29685	1.1
90.24739	1.1
91.05470	4.0
93.05789	1.9
93.07017	5.6
94.06561	7.8
95.07329	4.8
96.08130	13.3
97.06480	1.1
100.11266	6.4
103.05465	2.6
106.06554	4.9
107.07294	1.5
108.08121	17.2
110.06055	1.7
110.07153	1.4
110.09680	23.7
118.06556	1.2
120.04479	4.4
120.08107	19.7
122.06027	8.7
122.09621	1.3
124.07599	12.5
129.10312	1.5
132.08057	2.4
134.06015	2.7
134.09663	1.7
136.07582	23.0
137.06023	2.5
138.05447	1.6
138.09137	34.6
140.07004	1.3
144.04446	4.0
145.02827	2.3
146.06000	23.8
146.09630	2.0
148.06473	1.6
148.07570	12.8
150.05460	1.2
150.09146	10.0
152.07069	16.9
158.06030	2.2
160.07584	3.0
162.05510	2.9
162.09146	1.5
164.07083	10.9
166.08641	81.5
167.07027	2.3
172.03929	18.3
172.05270	1.8
176.07076	1.6
177.05476	4.7
182.08160	2.7
182.15421	2.9
190.05003	19.0
197.10701	1.5
198.11546	4.1
199.12337	1.4
204.06561	32.9
208.09979	1.5
209.10872	2.0
209.16486	2.2
210.11540	4.1
210.14883	2.2
211.12270	7.8
212.13150	2.2
218.08109	3.9
220.09990	1.2
222.11586	2.0
223.08556	1.1
223.12325	7.1
224.09332	1.9
224.13112	1.4
225.10269	5.4
225.13733	1.3
226.11072	2.6
227.11783	5.8
235.08661	3.5
235.12276	1.7
236.09419	3.0
237.10254	12.4
237.13747	2.6
238.10983	7.2
239.11800	13.5
240.12439	1.6
241.13304	1.8
243.11310	2.2
245.12805	1.7
246.07718	4.0
248.09317	2.3
249.10262	14.2
250.10945	9.1
251.08104	1.9
251.09132	1.7
251.11797	18.6
252.08965	2.0
252.12532	4.7
253.09682	2.5
253.13440	8.1
255.11194	3.0
256.12070	3.8
257.12848	3.8
259.14429	1.4
262.07074	1.3
262.11047	2.2
263.07602	1.9
263.11826	31.0
264.08878	3.5
264.12561	8.1
265.09711	7.8
265.13358	16.9
266.10513	4.8
267.11270	13.9
269.12790	5.9
271.10794	1.9
271.14432	5.8
273.12323	3.6
275.11652	2.7
276.08752	2.0
277.09689	4.0
278.10513	6.1
279.11292	29.3
280.11926	2.4
281.12900	15.1
282.09946	2.3
282.13242	1.1
283.10764	5.3
283.13901	1.7
284.11569	3.3
285.12308	21.3
287.13931	4.9
291.11270	26.1
292.12024	7.6
293.12833	25.2
295.10980	5.2
295.14011	1.4
296.11490	3.1
297.12326	54.6
298.13025	4.4
299.13879	27.9
305.14835	3.4
307.10779	3.0
309.12305	29.4
310.12744	1.6
311.10263	4.0
311.13879	13.6
313.11972	1.2
314.12766	1.4
315.13394	31.3
315.86301	1.2
319.10770	19.4
321.12228	6.3
323.10358	7.7
323.15997	4.3
325.11838	40.7
327.13470	6.3
337.11823	94.3
339.13629	6.4
339.17038	1.1
341.11328	3.2
342.16022	1.4
343.13022	4.0
346.19211	1.8
355.12869	3.3
356.13409	1.7
357.14380	11.4
358.15155	1.9
359.16141	1.4
369.14340	6.4
370.15244	2.2
371.15875	3.2
373.13959	4.1
390.17770	1.9
392.19727	1.5
398.14890	2.0
399.15576	1.7
401.13217	5.7
402.18011	1.7
404.15353	1.3
404.19971	2.0
416.15933	2.7
418.21292	2.1
420.19049	1.6
422.16339	2.1
430.17688	2.5
431.17676	1.4
432.19177	2.4
438.20193	2.1
440.16281	1.4
444.18988	2.7
446.16101	2.5
446.20850	4.5
448.18445	1.9
449.19388	3.1
450.20425	6.2
456.95563	1.3
458.17062	3.5
462.20297	7.9
464.21988	70.6
466.23221	2.2
472.18741	3.2
474.20010	2.5
476.18463	6.9
478.19421	2.3
482.18997	3.1
490.19760	100.0
491.20245	3.5
492.21185	3.0
494.18814	2.1
508.20792	10.2
514.21918	2.3
522.22382	70.6
523.22937	3.7
587.24762	3.7
603.28485	2.5
611.25110	14.6
619.27509	1.4
629.25897	16.2
643.27332	2.1
647.27161	52.0
648.27667	2.2
661.29089	2.0
679.30035	9.9
679.50580	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	679.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01873	1.9
55.05500	2.6
59.98960	1.0
61.59856	1.0
65.03920	1.3
67.05494	3.2
68.05025	1.2
69.03434	1.4
69.07076	1.7
69.34151	9.3
70.06599	12.2
72.08152	3.2
79.05489	4.3
81.07048	2.0
82.06563	2.6
83.08615	2.4
83.09073	1.0
84.04499	2.6
84.08123	5.7
85.02907	2.0
86.09708	8.9
91.05486	4.2
93.07038	6.5
94.06567	9.4
95.07352	7.3
95.08617	1.8
96.08143	17.5
100.10811	0.9
100.11273	10.4
101.30618	1.2
103.05449	1.8
105.07039	1.3
106.06561	6.2
107.07323	2.0
107.08585	1.9
108.04520	1.2
108.08112	17.6
110.06069	1.9
110.07170	2.2
110.09692	24.5
110.92692	1.2
111.04443	1.6
115.08650	1.1
118.06576	1.2
120.04462	3.1
120.08104	23.1
121.06436	2.1
122.06039	8.0
123.06728	1.4
124.07600	13.9
128.07101	1.9
129.10248	2.3
134.06007	3.7
134.09634	2.2
136.06538	1.5
136.07585	26.8
137.05972	2.3
138.05507	2.1
138.09142	31.7
139.08636	1.4
144.04436	3.4
145.02840	2.8
146.06007	22.9
146.07826	1.2
146.09639	2.0
148.07585	13.6
149.05981	2.0
150.05533	1.4
150.09166	10.9
152.07051	14.0
160.03934	1.5
160.07578	3.3
161.05925	1.3
162.05504	1.4
164.07066	10.2
166.08650	78.7
167.07074	2.3
172.03931	20.1
174.05515	1.9
176.07068	2.1
177.05452	6.3
182.08162	3.8
182.15411	4.7
182.47632	1.2
190.04999	17.0
192.06439	1.8
196.09767	1.4
197.10732	3.0
198.11523	4.9
199.12273	2.1
202.11247	1.2
204.06578	28.9
204.23439	1.1
209.10696	3.0
209.16544	4.0
210.11476	3.6
210.14919	4.9
211.12341	8.1
212.13144	2.8
213.10228	1.3
213.13979	1.1
218.08087	4.5
221.10622	1.2
222.11401	1.4
223.08615	1.2
223.12289	6.5
224.09358	1.3
224.12959	2.3
225.10255	5.3
225.13776	2.5
226.11040	5.0
227.11775	4.5
235.08801	2.6
235.12282	3.2
236.09393	3.6
237.10220	9.7
237.13824	3.0
238.10991	7.2
239.11763	10.7
240.12465	1.5
241.09668	1.2
241.13414	1.9
243.11290	2.0
245.12871	1.8
246.07700	2.7
248.09444	3.7
249.10222	11.1
250.10939	11.6
251.08125	1.7
251.09114	1.4
251.11830	20.7
252.12602	4.6
253.09773	2.3
253.13313	8.0
255.11330	2.3
256.12192	3.9
257.12933	2.6
258.57498	1.1
259.14490	2.7
262.11041	2.2
263.07776	1.3
263.08865	2.0
263.11801	32.9
264.08878	4.8
264.12482	8.1
265.10129	8.8
265.13348	18.6
266.10449	5.6
266.13937	1.8
267.11310	15.0
268.12030	2.0
269.12903	6.8
271.10767	4.3
271.14227	6.0
273.12363	3.8
275.11798	1.8
276.08667	1.5
277.09698	4.7
278.10501	6.4
279.11298	33.2
280.11850	3.4
281.12881	15.9
282.10010	2.4
282.13614	1.5
283.10751	4.1
283.14270	1.5
284.11456	5.4
285.12363	20.2
287.13855	5.3
291.11273	26.9
292.12042	7.1
293.09637	1.0
293.12836	25.6
294.10052	1.8
295.10703	6.4
295.14108	2.3
296.11533	4.5
297.12332	54.0
298.13095	6.6
299.13940	28.3
305.14969	3.8
307.10825	3.4
309.12350	30.3
310.12976	1.3
311.10303	3.4
311.13751	14.2
313.12067	2.0
315.13397	27.4
316.14340	1.8
319.10767	19.1
321.12289	6.5
323.10220	11.2
323.16049	4.4
325.11844	37.6
327.13287	5.9
337.11826	93.5
338.12070	1.9
339.13300	5.6
341.11313	3.2
343.12970	4.5
351.13358	1.5
355.12851	3.4
356.13705	1.9
357.14456	12.9
369.14334	5.9
371.15915	3.7
372.17062	1.5
373.13947	4.5
383.12250	1.4
390.18112	2.6
398.15256	1.6
399.15869	2.2
401.13379	10.0
402.18182	2.7
404.15436	1.7
404.19846	3.8
412.16953	1.3
416.15997	3.5
418.21646	1.2
420.18881	2.1
422.20779	3.5
430.17694	2.7
432.18912	4.0
440.16034	1.4
444.19318	2.4
446.16287	2.2
446.21384	2.6
448.18588	2.1
449.19443	4.9
450.20239	5.9
458.16760	3.7
462.20291	8.9
463.21219	1.2
464.21942	73.7
465.22079	3.2
472.18631	3.4
474.20154	1.9
476.18280	7.8
482.19321	4.9
490.19766	100.0
491.20108	2.9
492.21085	2.8
494.19180	2.3
508.20898	11.5
514.21851	3.2
522.22363	68.5
523.22717	3.5
524.23486	2.5
552.46143	1.3
574.20795	1.4
585.26929	1.5
587.24799	4.2
611.25012	13.3
619.27753	2.1
629.26025	16.8
647.27161	50.2
648.26642	2.0
679.30438	9.0
679.50867	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	677.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77204	2.2
55.05514	12.8
57.03438	2.7
57.07079	4.6
58.50562	1.8
61.02927	25.9
65.06792	2.0
67.05506	58.9
69.03409	3.0
69.07072	14.0
69.39459	12.8
71.04983	4.2
71.08591	2.4
73.02916	13.8
79.05491	39.6
81.03439	2.3
81.06590	3.9
81.07057	63.9
83.04965	2.7
83.08614	6.1
85.02909	32.1
85.06545	2.8
90.45615	2.0
91.03963	28.6
91.05489	24.0
93.07050	48.3
95.04974	2.5
95.08611	46.8
97.02888	13.5
97.06525	3.1
97.10149	4.2
99.08093	3.3
105.07032	16.2
107.08603	35.5
109.10165	33.6
111.08057	3.2
117.07008	9.7
119.08587	18.0
121.10149	35.4
123.11716	14.4
127.03921	10.8
130.48450	2.1
131.08591	22.1
131.11876	2.5
133.10136	13.9
135.11702	30.1
135.48135	2.1
137.09663	2.4
137.13333	6.1
145.04996	13.1
145.10123	17.8
147.11682	11.8
149.13257	20.5
159.11699	13.2
160.74780	2.2
161.13234	12.9
163.06027	21.7
163.14851	18.7
173.13268	16.6
175.14847	3.8
177.16364	5.7
179.14284	4.7
187.04517	2.7
187.14824	12.2
201.16383	2.7
233.22678	2.6
243.21086	33.7
245.96306	2.0
261.22156	100.0
261.98480	2.0
294.74005	2.6
335.25873	18.5
338.17636	3.0
338.67630	4.6
339.17804	4.2
353.26904	33.3
359.02249	2.0
470.88565	2.3
515.30267	2.6
677.36133	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	677.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79095	0.2
58.78717	0.2
62.27542	0.2
81.03388	0.2
98.21524	0.6
134.22482	0.2
185.04282	0.4
193.05066	0.5
203.05336	1.4
256.26434	0.4
259.08011	1.3
289.42993	0.2
305.08395	0.3
347.09729	1.1
365.10577	3.6
421.13309	1.8
436.96671	0.3
515.31952	23.6
516.32391	0.5
596.11102	0.4
677.37183	100.0
678.37268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36194	0.4
58.86693	0.4
70.63560	0.8
70.63909	0.7
79.05521	0.4
232.02197	0.4
261.57047	0.4
290.96906	0.4
306.24646	0.5
347.09467	1.4
472.03656	0.4
515.31940	23.2
516.32239	0.4
587.17712	0.6
677.37170	100.0
678.37195	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45567	0.9
53.03947	2.2
55.01857	1.0
55.05513	11.6
57.03437	7.0
57.07072	4.3
61.02923	17.9
65.03939	2.3
67.05506	71.0
69.03421	2.8
69.07070	11.4
71.04990	3.1
71.08619	2.3
71.51961	1.5
73.02934	6.4
75.04482	1.9
75.56328	1.0
79.05495	43.6
81.03418	2.2
81.07056	82.6
83.04965	1.5
83.08622	10.0
85.02904	17.8
85.06537	3.8
91.03956	20.4
91.05478	22.3
93.07042	54.1
95.04969	3.0
95.08607	68.2
97.02886	9.1
97.06530	3.0
97.10164	4.5
99.08099	3.6
101.19289	1.0
105.06358	0.8
105.07027	18.2
107.08597	37.8
109.06521	1.3
109.10159	37.6
111.08084	2.3
113.09624	2.2
117.07015	8.2
119.08585	16.7
121.10149	34.5
123.08079	1.8
123.11715	20.8
125.09613	1.7
127.03931	7.8
131.08560	19.3
133.10130	14.6
135.11693	27.7
137.09641	2.1
137.13239	7.1
139.11195	1.6
145.04968	8.7
145.10115	16.3
147.11696	13.0
149.09692	1.1
149.13251	21.8
149.14372	1.4
151.14818	2.8
153.09122	1.2
153.12776	1.3
156.37444	1.1
159.11702	14.1
161.13280	12.1
163.06033	13.7
163.11116	1.2
163.14821	16.3
165.12753	2.2
173.13263	15.4
175.14854	4.2
175.38548	1.0
177.12794	1.1
177.16394	6.6
179.14305	4.9
187.14827	10.1
189.16367	1.4
191.14297	3.1
201.16431	1.9
205.15851	1.7
215.17902	1.5
233.22731	3.1
243.21088	38.1
250.33224	1.3
254.48984	1.1
261.22141	100.0
262.22644	1.7
263.23730	2.0
277.51996	1.1
279.23175	6.4
297.20767	1.3
316.31128	1.0
335.25793	37.5
353.26874	40.6
479.30148	1.3
485.34467	1.4
497.31183	8.4
528.43988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69751	0.8
65.03934	0.7
69.03432	0.9
70.06597	5.7
71.51800	0.8
72.08156	1.7
79.05488	1.4
82.06589	0.9
84.04507	0.9
84.08143	2.6
85.02906	1.7
86.09725	3.4
88.23796	0.7
89.03924	1.5
91.05485	2.5
93.05780	0.7
93.07037	2.3
94.06573	5.5
95.04987	1.0
95.07368	2.1
96.08150	4.6
103.05501	1.2
106.06521	1.1
108.04509	1.3
108.08136	7.4
110.07172	1.2
110.09698	7.8
116.04990	2.8
117.03374	1.7
119.04926	0.8
120.04468	2.5
120.08101	8.1
122.06036	5.2
124.07603	2.2
129.10211	1.5
132.08128	0.9
134.06042	2.8
136.07584	8.3
137.05989	2.7
138.05473	0.8
138.09166	9.8
144.04460	8.7
145.02849	3.3
146.06018	5.1
147.04398	1.0
148.07643	3.7
148.25533	0.7
152.07059	1.8
160.04027	3.2
160.07585	1.1
162.05542	5.2
164.07108	2.1
166.08640	11.6
167.07082	1.5
172.03949	48.0
174.05530	1.5
176.07104	3.7
177.05460	5.4
179.33435	0.6
179.77747	0.8
185.10747	0.9
188.07115	0.7
190.05002	12.5
197.10718	1.0
204.06581	100.0
205.06989	1.2
209.10770	0.9
211.08737	1.3
213.10246	2.9
215.11813	2.2
224.09427	0.8
225.10201	2.9
227.11787	2.2
229.13287	0.8
236.09416	1.2
237.10156	2.7
238.10991	1.2
239.11745	1.2
241.09688	2.4
243.11356	8.8
249.10364	1.6
251.07985	0.8
251.11841	1.1
253.09781	1.9
255.11249	1.7
257.12784	1.2
263.11893	0.7
264.09039	2.5
265.09595	2.0
267.11301	1.3
269.09195	2.7
271.10739	1.8
273.12393	4.7
274.13037	1.0
277.09665	1.3
279.11343	2.7
281.09351	1.1
283.10764	4.5
285.12393	8.3
287.10129	5.3
297.12408	5.3
299.13947	2.2
301.11880	2.0
302.12842	1.6
303.13391	29.5
313.11899	1.7
314.16495	1.1
315.10080	0.8
315.13766	0.8
316.10785	1.8
316.14340	1.4
318.16013	1.7
321.14618	1.4
323.10165	5.6
325.11887	9.9
326.13068	0.8
327.13480	2.5
329.11560	1.4
329.14993	1.2
330.12408	2.2
330.16043	0.8
332.14139	1.2
339.13428	1.3
340.14542	0.9
343.13184	2.7
344.14020	2.8
346.15570	2.9
347.16611	1.0
357.14484	32.2
358.15677	5.3
368.13718	1.3
370.11740	1.9
371.12552	2.3
372.13257	3.7
373.14026	1.0
374.14960	2.3
376.16507	1.0
384.13358	1.2
385.14508	2.0
386.15048	7.8
387.16043	4.0
392.15955	1.6
394.17441	0.9
400.16779	1.0
401.13483	1.1
402.14133	1.9
403.15277	1.0
404.16183	4.4
406.17535	2.8
412.52774	0.9
414.14478	9.6
415.15298	17.6
416.15857	1.9
418.17749	1.3
420.15622	4.2
428.15707	1.4
430.18234	3.4
432.15594	11.6
438.16431	2.1
444.15616	1.6
445.16855	0.8
446.17322	3.4
456.15750	4.5
462.16565	7.2
464.17889	0.7
474.16660	23.2
494.19101	2.2
506.19342	12.9
523.13489	3.8
581.23413	1.3
583.25604	1.4
585.23218	4.0
599.24780	2.5
609.23364	5.8
627.24567	86.5
628.24536	3.0
641.25720	1.2
659.15515	1.9
659.26660	10.4
705.48792	0.7
708.90424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
53.12574	0.9
56.96571	1.0
60.95142	1.2
64.23537	0.9
67.05495	1.1
69.07056	1.1
69.19266	9.7
70.06588	5.2
72.08148	2.7
77.24458	1.0
77.66880	1.1
79.05494	2.9
81.07026	1.7
84.08138	2.5
85.02899	1.9
86.09697	4.6
91.05476	2.6
93.07032	4.0
94.06566	5.6
95.04933	1.2
95.07343	1.8
96.04481	1.2
96.08163	6.0
96.08698	1.1
96.74158	0.9
97.02905	1.1
97.06502	1.6
105.07025	1.8
108.04499	1.5
108.08125	7.9
109.02836	1.5
110.07212	1.4
110.09689	7.7
116.04982	3.6
120.04476	2.9
120.08109	8.2
122.06003	2.8
124.07603	7.7
127.03874	1.7
130.06499	1.4
134.05980	3.1
136.07596	9.5
137.05981	1.8
138.09163	9.4
144.04416	5.3
145.02838	1.8
146.05991	5.6
148.07553	3.2
152.07047	1.7
159.11592	1.0
160.03931	2.7
162.05502	3.5
164.07034	2.5
166.08641	9.5
167.07071	1.9
172.03929	20.8
174.05527	1.8
176.07074	4.3
177.05507	5.0
181.04993	1.3
190.04999	17.3
199.08748	1.8
204.06573	36.5
212.09291	1.6
213.10245	3.5
215.11844	2.2
223.08670	1.1
223.12282	1.4
224.09444	1.4
225.10188	3.0
226.08682	1.3
226.10919	1.1
227.11725	2.4
229.13428	1.1
236.09332	2.2
237.10214	2.9
238.11053	1.5
239.11696	1.7
241.09735	3.7
243.11259	12.2
249.10278	1.3
251.11749	1.9
253.09753	1.4
255.11246	1.8
263.11948	1.4
264.09033	2.2
265.09772	1.4
267.11606	1.2
269.09253	2.2
271.10904	3.1
273.12344	4.3
277.09628	1.7
279.11261	1.8
283.10742	3.4
285.12396	15.4
287.10217	5.5
297.12338	7.2
299.10373	2.4
299.13986	3.3
301.12045	1.6
302.12772	1.2
303.13428	23.7
307.10828	1.4
313.11716	2.1
316.14691	1.3
323.10101	5.6
325.11868	22.9
326.12695	1.2
327.13431	2.3
330.12332	2.3
335.10300	1.1
342.12158	1.7
343.12863	4.7
344.13818	2.1
345.14563	1.4
346.15472	3.7
347.16357	1.1
356.14136	1.6
357.14517	9.7
358.15387	4.7
370.11853	1.5
371.12595	2.8
372.13345	3.1
373.13907	1.9
374.14981	2.9
385.14325	2.2
386.15137	9.4
387.15607	4.3
392.16006	1.2
392.85233	1.1
400.16626	1.6
402.14084	2.1
402.18735	1.4
404.15930	5.6
406.17694	2.3
414.14539	8.5
415.15250	19.6
416.15753	1.6
418.17841	2.5
420.15332	3.2
428.15768	3.2
430.17740	2.3
432.15567	13.9
438.15652	1.9
446.16937	2.1
456.15335	4.3
456.69043	1.1
462.16577	10.2
464.18076	1.3
474.10419	1.8
474.16623	23.5
475.16318	1.2
476.18143	1.5
494.19092	2.3
506.19125	9.9
507.54584	1.3
536.21539	1.3
581.23828	2.0
585.23273	4.2
599.24664	2.0
609.23444	7.6
627.24481	100.0
628.24298	3.3
659.27423	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71780	0.4
62.99631	0.4
67.05513	0.4
69.77112	1.8
72.16689	0.3
85.41518	0.3
110.07183	0.4
131.08528	0.4
137.80132	0.4
186.97942	0.4
324.39233	0.3
341.10776	0.4
396.87897	0.4
413.16013	0.4
420.66910	0.3
441.20071	0.5
443.17322	0.6
444.17966	0.6
445.18628	0.4
453.15585	0.5
454.16748	0.7
455.13077	0.9
457.14215	0.5
457.19290	0.5
461.39236	0.3
464.61612	0.3
467.12628	0.5
467.18057	0.7
468.14450	1.2
469.14865	6.0
470.15546	1.9
471.16812	1.1
472.17603	0.8
479.17532	0.5
481.14706	2.4
482.15833	8.3
483.16721	8.0
483.23508	0.5
484.17438	1.3
485.18408	1.4
494.15851	0.4
495.16727	4.4
496.17569	5.9
497.18268	33.4
498.19080	3.0
499.19736	0.6
509.15475	0.4
510.19083	2.2
511.19806	4.3
512.20520	1.2
513.17889	0.4
515.19342	1.3
528.16577	1.3
529.17352	0.4
538.20367	1.0
541.17163	1.1
542.17853	1.9
555.18842	5.0
556.19250	2.4
557.20306	3.0
569.20380	0.6
573.22778	1.1
616.21863	1.3
617.22760	0.9
628.22040	0.5
629.22302	0.8
643.24164	7.1
644.24713	7.2
645.22864	1.7
657.25452	6.2
658.25238	0.5
660.24359	2.0
675.26636	100.0
676.26886	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04524	0.3
66.96500	0.3
67.05520	0.3
69.50803	1.8
76.78209	0.3
81.07063	0.4
91.46793	0.3
98.20744	0.3
107.08570	0.5
109.10155	0.3
155.89943	0.3
275.51617	0.3
463.26608	0.7
655.41187	0.4
673.42865	100.0
674.43280	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76524	0.4
57.07061	0.6
67.05511	0.6
69.07042	0.4
71.08631	0.5
71.52343	0.7
73.48041	0.3
78.26328	0.3
81.07043	0.5
88.06388	0.4
89.06028	0.6
93.07053	0.8
95.04966	0.3
95.08617	0.6
99.08105	0.9
105.74535	0.4
107.08632	0.4
109.10149	1.0
135.11667	0.4
137.05899	0.4
139.02284	0.3
143.90321	0.4
185.10724	0.4
285.49130	0.4
308.01190	0.5
412.26102	0.4
463.26678	24.5
561.45782	0.4
614.35431	0.4
673.42828	100.0
674.42926	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05498	0.7
65.03942	1.0
67.05499	2.6
69.07073	1.1
69.24183	2.1
69.24594	3.8
70.06593	2.2
72.08157	1.0
79.05489	3.3
80.68721	0.6
81.03389	0.6
81.07061	0.9
82.06581	1.4
83.73050	0.6
84.04512	0.6
86.09712	1.4
91.05474	3.1
93.05798	1.1
93.07041	6.6
94.06572	9.0
95.04995	1.2
95.07353	6.6
95.08618	1.4
96.08130	14.0
97.06562	1.2
103.05465	2.1
105.07044	1.7
107.08531	0.7
108.04487	1.8
108.08120	13.1
109.08955	1.1
110.06046	1.1
110.07168	0.9
110.09687	23.9
117.03373	0.7
118.06496	0.7
119.08586	1.2
120.04469	1.1
120.08107	15.0
121.06527	0.9
121.10155	1.5
122.06036	10.7
124.07604	2.3
132.36021	0.6
136.07588	9.9
138.05476	0.9
138.09145	25.6
145.02870	1.8
146.06032	1.2
148.07578	3.9
160.07610	1.6
163.03893	1.0
166.08647	28.8
167.07037	0.9
177.04068	0.6
177.05524	3.0
189.16507	1.0
194.07736	0.7
198.07774	0.7
199.08672	0.7
207.09314	1.2
211.08739	2.6
219.09224	0.7
221.10738	3.2
223.08690	1.1
225.10204	1.0
234.07710	0.7
235.08678	4.2
237.10231	3.0
239.11746	0.7
241.13280	0.6
247.08612	3.1
248.09544	2.1
249.10243	25.9
249.95308	0.7
250.11089	4.9
251.08414	0.9
251.11913	4.7
261.10275	3.0
262.11096	2.1
263.08307	1.2
263.11853	4.5
264.09036	1.0
264.12720	1.0
265.09738	2.7
275.08218	2.6
277.09741	13.6
278.10498	4.8
279.11240	3.2
281.09320	0.7
281.12860	0.8
289.09763	2.9
291.11212	6.3
292.11957	1.0
293.09256	1.5
295.10895	1.3
297.12372	1.9
302.12778	0.8
305.08920	1.0
307.10941	1.0
309.12296	8.0
310.13257	3.4
311.14102	1.7
312.11893	1.3
313.12762	1.2
314.12994	1.8
316.11020	1.3
321.08734	1.8
323.10547	0.8
323.14163	1.2
324.11386	0.9
324.15002	2.4
325.12631	1.1
325.16031	0.9
326.12961	1.9
326.16565	1.1
327.14069	2.1
328.10880	2.5
328.14612	4.8
329.11926	1.8
329.15652	1.1
330.12589	1.2
330.16110	1.2
335.10355	1.9
337.12073	1.6
338.13046	2.8
339.10217	1.0
339.13785	2.6
340.11093	2.3
340.14642	2.2
341.11685	3.9
342.12485	7.1
342.16156	1.5
343.13049	4.7
344.14066	2.9
344.17661	0.8
352.14682	4.4
353.15451	1.8
354.12210	4.6
354.16138	2.2
355.09201	1.2
355.13028	4.8
356.10284	0.9
356.13989	13.9
357.14828	4.6
358.12030	2.0
358.15442	2.0
366.12354	1.6
367.13547	1.7
368.10077	1.6
368.14038	2.3
369.11032	1.7
369.14960	2.7
370.11752	2.8
370.15674	6.6
371.12326	1.4
371.16418	3.7
372.13269	2.5
372.17358	4.4
373.13968	1.0
374.15155	1.1
380.13834	3.1
381.14828	1.2
382.11758	2.5
382.16034	4.5
383.12958	2.6
384.13373	9.6
385.13895	3.3
385.18066	2.3
386.15045	3.1
386.19211	0.8
388.16660	0.9
396.13474	1.5
397.14246	4.2
398.10620	0.9
398.15073	9.9
399.16000	5.0
400.16797	11.9
401.13708	2.0
402.14612	2.3
403.15540	0.8
408.13373	2.2
410.15076	3.5
411.12344	1.1
412.12640	4.1
413.13571	1.4
414.14078	1.9
414.18390	2.8
415.15036	0.9
416.16174	5.3
417.16785	1.6
418.13702	1.3
424.12674	0.9
426.14450	11.4
427.15204	1.5
428.16174	9.9
430.13486	1.0
436.12662	1.3
442.18600	7.9
443.14536	0.9
444.15564	9.9
445.15955	0.9
446.17239	1.0
454.13989	33.0
455.14380	1.0
458.17337	1.3
460.19333	10.4
464.18735	1.1
468.15768	0.8
472.15054	77.1
473.15295	1.1
474.16644	11.5
476.18005	1.0
486.16577	3.4
492.17676	48.1
504.17664	26.1
505.18460	1.0
506.19351	1.7
510.18805	1.1
522.18713	6.0
579.22363	1.7
597.23987	0.9
607.21832	12.5
611.25067	6.6
621.23102	1.0
625.22974	32.4
626.23761	0.9
629.26556	1.9
639.24518	29.0
643.23584	2.0
657.25562	100.0
658.25964	4.0
675.26093	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	673.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34246	0.4
57.07078	2.3
61.70741	0.4
69.07069	0.7
70.98198	0.7
71.08638	2.0
73.06573	0.8
74.22305	0.4
85.10175	1.2
87.04488	1.2
89.06039	12.3
97.02905	0.4
97.10175	0.4
117.09132	1.0
118.24806	0.4
133.08626	5.3
134.08987	0.5
177.11234	2.4
189.12819	0.5
200.85138	0.4
238.02007	0.5
268.13348	0.4
268.19562	0.4
391.09363	0.5
433.13763	0.5
497.19525	0.6
523.17365	3.5
524.18335	1.4
541.18610	4.8
555.20349	1.1
556.20972	1.1
559.23743	0.7
581.21692	0.7
599.22998	1.1
642.24463	3.7
643.25952	0.6
655.50623	0.8
672.52722	4.3
673.26343	100.0
673.44287	2.6
673.52972	3.8
674.26605	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
54.12523	0.2
56.17253	0.3
63.02356	0.3
65.03945	0.5
69.91482	1.0
70.06587	1.0
77.03957	0.3
78.04737	0.4
81.03411	0.3
84.08134	0.4
84.51595	0.3
86.09702	0.9
89.03918	6.2
91.05482	5.9
93.07045	2.5
94.04126	0.3
95.04986	1.0
97.02934	0.3
103.05468	2.3
105.03380	0.8
105.04507	0.5
105.07046	0.4
106.04156	0.5
107.04958	0.3
107.08554	0.3
108.08126	0.4
110.07242	0.3
115.05411	0.3
117.03383	17.1
119.04945	4.0
119.08583	0.3
121.06508	9.1
124.82479	0.3
131.04927	0.5
133.02858	14.4
134.03615	0.7
134.06053	0.5
135.04420	1.9
135.08112	0.6
136.05182	0.3
136.07600	1.3
137.05974	8.2
145.02849	48.2
145.10112	0.4
146.03134	0.7
147.04445	1.7
149.05986	10.7
150.06789	1.5
151.07542	4.5
158.06015	0.4
161.05971	1.1
163.03915	0.6
164.07056	2.3
165.05507	2.4
167.07042	0.5
167.98747	0.3
173.06007	0.8
175.03923	4.0
175.07597	0.7
177.05470	100.0
178.05878	1.4
179.05931	0.3
181.04913	0.5
186.03142	0.4
186.05511	1.8
191.06985	0.4
192.06519	0.4
194.08153	3.1
201.05463	7.1
205.06601	0.4
215.76993	0.3
218.08095	0.5
233.05940	1.4
235.07474	0.3
249.05418	0.4
250.06313	0.5
261.05511	0.5
265.08539	0.7
277.04895	0.5
291.06299	0.3
292.07407	0.6
293.07938	0.9
299.12854	0.5
300.47586	0.3
307.09421	0.5
308.06680	0.6
312.12231	1.0
314.13705	0.4
316.15305	0.8
325.10712	11.2
342.13297	1.4
351.08792	0.4
368.14795	1.3
462.19122	6.7
479.21207	0.7
488.16895	0.6
492.20206	14.5
518.18463	0.3
605.19714	0.3
623.20868	1.0
638.17102	0.3
641.21985	0.6
655.25983	0.9
673.26233	0.7
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
55.05511	5.1
57.03446	4.3
57.07080	35.9
61.02932	14.2
67.05507	10.2
69.03415	2.0
69.07074	8.3
71.04983	0.6
71.08636	29.9
71.52198	0.8
73.02923	5.5
74.12557	0.5
75.04465	2.4
76.84506	0.5
78.87418	0.6
79.05492	0.9
81.03414	1.4
81.06599	0.7
81.07066	15.0
83.08625	10.6
85.02912	17.5
85.06548	0.8
85.10190	16.7
89.06036	1.4
91.03958	15.2
93.07038	1.0
95.08614	23.8
97.02901	9.7
97.10183	6.4
99.04459	1.4
99.11752	0.9
103.07537	0.6
105.07004	0.6
107.08581	0.6
109.10168	12.8
111.11708	1.6
115.03933	1.3
123.11711	5.0
125.13302	0.8
127.03922	6.7
131.67293	0.5
137.13245	2.3
139.14845	0.7
145.04965	6.8
145.44759	0.5
147.04395	1.8
151.14764	0.7
159.17502	0.5
163.03957	1.1
163.06021	13.4
220.51385	0.6
221.22729	1.0
239.23700	21.0
257.24744	4.7
298.27478	0.6
313.27383	100.0
314.27853	1.5
331.28442	51.0
332.28775	1.0
429.27673	0.6
473.24911	0.6
475.32611	0.8
505.44901	0.6
519.54260	0.5
556.74518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65773	0.3
54.72720	0.4
55.05511	3.3
57.01633	0.3
57.03191	0.5
57.03442	3.7
57.07080	33.4
59.05011	0.4
61.02931	10.4
67.05180	0.6
67.05508	8.6
69.03426	1.0
69.07076	5.6
69.61539	2.0
71.08636	28.1
71.65167	0.3
73.02924	4.6
75.04490	1.9
79.05499	0.9
81.03406	0.6
81.06594	0.7
81.07060	12.9
83.08626	10.7
85.02910	13.3
85.06541	0.7
85.10189	15.4
87.04544	0.4
89.06030	0.9
91.03420	0.7
91.03963	12.0
93.07056	0.7
95.02254	0.3
95.08615	20.1
97.02293	0.6
97.02899	7.6
97.10176	5.9
99.04433	0.9
99.08086	0.5
99.11736	0.9
100.46881	0.3
103.07606	0.9
109.02892	0.6
109.10166	10.5
111.11713	0.9
113.13305	0.5
115.03905	0.4
121.10097	0.4
123.11713	4.3
124.21793	0.3
125.13305	1.0
127.03931	4.8
130.87135	0.3
137.13268	1.7
145.04965	6.5
151.14809	0.7
163.04735	0.7
163.06036	9.8
165.16478	0.4
198.24709	0.4
221.22704	0.9
221.55804	0.4
239.23701	19.2
255.10217	0.4
256.99811	0.4
257.24707	4.4
313.27380	100.0
314.27692	1.4
331.28427	39.9
332.28937	0.5
473.82590	0.4
475.32925	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71976	0.9
53.03936	3.5
55.01865	1.9
55.05509	18.1
55.60175	0.9
57.03448	1.8
57.07073	14.2
61.02927	1.8
65.03930	2.0
67.05504	24.8
69.03434	7.1
69.07069	62.6
69.78249	0.9
70.06599	4.8
71.04980	2.1
71.08630	7.4
71.51771	2.0
72.08145	2.8
73.02901	1.4
79.05486	10.7
81.03407	3.0
81.07056	100.0
83.08617	40.0
84.08131	2.4
85.02906	36.7
85.06545	7.1
85.10195	2.4
86.09702	2.6
89.03901	2.5
90.75678	1.0
91.03947	1.4
91.05478	7.3
93.07041	20.4
95.04962	1.6
95.08608	99.9
97.02890	8.3
97.06539	2.4
97.10170	27.1
98.97561	1.1
99.04465	1.3
99.08092	7.4
103.05437	2.1
105.07027	4.4
107.04971	1.7
107.08590	26.2
109.02863	2.6
109.10159	64.9
111.08094	6.5
111.11720	24.3
112.38973	1.0
113.09608	1.8
117.00697	1.0
117.03399	7.4
119.04853	2.2
120.08121	2.2
121.06509	5.5
121.10137	16.0
122.03630	1.0
123.11707	45.0
125.09561	2.2
125.13261	19.1
125.80500	1.0
127.03922	6.5
129.10258	1.3
129.12808	1.0
131.04926	1.5
133.02802	2.5
133.10136	2.4
135.04434	0.9
135.11690	11.0
136.07610	1.2
137.05968	6.0
137.09496	1.2
137.13255	37.3
139.11203	1.1
139.13876	1.1
139.14803	6.4
141.12711	2.4
145.02850	18.0
145.04962	11.2
145.10103	1.5
147.04420	1.2
149.05991	4.8
149.13266	38.7
151.03885	2.4
151.07562	2.8
151.14832	17.4
153.12740	3.1
155.14293	9.4
161.05986	2.0
161.13210	1.4
163.03972	1.2
163.06012	8.4
163.14812	9.7
165.09169	5.6
165.16388	11.8
167.07043	2.1
167.14314	22.6
169.15854	6.0
172.66667	1.0
173.13223	1.4
175.03903	1.3
175.07535	1.3
177.05475	41.3
177.16373	5.3
178.05830	1.6
179.17924	8.6
183.17406	2.4
186.05467	1.2
191.17943	3.7
193.19539	6.1
194.08203	1.1
197.19090	2.1
199.07332	1.0
201.05461	4.4
205.19563	4.4
207.21072	1.9
208.84818	1.0
209.19073	1.2
211.20523	1.4
218.08138	1.7
219.21095	4.2
223.20634	0.9
237.22176	1.3
238.05881	0.9
247.24289	1.1
249.25844	3.5
255.19893	1.0
275.27310	23.8
281.28299	1.9
285.53363	1.1
289.05347	2.2
293.28375	74.7
309.07156	2.2
310.07382	1.4
311.29440	24.4
321.01053	1.0
323.09195	2.1
325.11038	4.9
329.30530	1.4
351.08603	2.3
352.08926	2.7
353.08994	1.4
369.09973	1.2
401.30490	1.4
419.31616	1.8
437.32938	1.1
455.33087	1.3
488.16830	1.7
492.19986	1.9
518.18109	1.3
671.28857	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
62.51330	0.3
67.05482	0.6
67.16421	0.3
68.43489	0.3
69.40170	2.2
69.40595	0.6
69.56530	0.3
91.05511	0.3
91.59514	0.3
93.07007	0.4
95.08585	0.3
130.27989	0.4
135.25900	0.3
138.03391	0.3
162.33882	0.4
244.26524	0.4
249.11040	0.6
267.10861	0.4
335.32727	0.4
671.37646	100.0
672.38043	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	671.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83023	0.5
52.66000	0.4
58.14542	0.5
65.04441	0.5
70.09969	1.5
81.07066	0.5
85.06587	0.5
91.84675	0.5
93.07039	1.0
105.07008	0.7
119.08521	0.5
145.60045	0.5
173.09792	0.5
178.60968	0.5
185.37621	0.5
244.67877	0.5
324.07483	0.7
671.41290	100.0
672.41718	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95236	0.4
58.54519	0.4
59.25880	0.4
61.39481	0.4
65.57855	0.5
69.20506	1.8
69.20923	2.0
70.71371	0.4
79.05468	0.5
91.05478	0.5
95.08582	0.6
107.08604	0.4
190.96164	0.4
191.07202	0.4
198.62923	0.4
231.31006	0.4
249.14664	0.5
411.20270	0.4
439.44626	0.4
555.62610	0.4
671.41302	100.0
672.41418	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68537	0.5
67.05499	1.2
69.03423	0.6
69.07052	1.0
69.71548	2.3
70.02975	0.5
70.06602	3.7
72.08141	1.4
73.98115	0.4
74.12195	0.4
76.48699	0.5
79.05515	1.0
81.07057	2.5
84.04557	0.6
84.07671	0.4
84.08144	1.7
84.14655	0.4
85.02912	1.5
86.09689	2.5
89.03913	0.6
91.04992	0.5
91.05475	3.0
93.07043	2.6
95.04962	0.7
95.08611	2.6
96.08983	0.6
103.05448	0.7
105.07030	1.6
107.04984	0.6
107.08575	2.4
109.10172	1.8
110.07134	0.6
117.03382	1.0
119.01931	1.0
119.04987	0.7
119.08598	0.7
120.08097	1.1
120.38969	0.5
121.06512	5.0
121.10154	0.8
123.11737	0.9
131.08556	0.5
136.07526	0.6
137.06006	1.8
143.01915	1.0
145.02811	3.1
149.05997	0.9
149.13205	0.5
151.03946	0.7
151.07544	1.6
151.11230	0.6
157.03528	0.6
161.02960	1.2
161.05972	0.6
163.03989	0.6
163.14812	0.5
165.09116	2.9
167.07063	1.5
169.56281	0.5
177.05458	5.2
185.04353	0.6
187.00946	0.6
191.07034	1.1
201.03770	0.8
201.05399	9.5
203.05310	2.0
220.05284	0.9
221.05269	1.4
227.05222	0.9
234.06828	0.6
235.07550	2.2
237.09190	0.7
243.04790	1.9
245.06444	2.6
251.07008	0.5
263.07050	3.0
265.08640	2.1
271.04218	0.8
276.04324	0.8
280.07303	1.2
282.08838	3.0
287.03745	11.9
287.06995	0.6
289.05283	25.8
291.06577	2.1
293.28204	0.6
297.11172	0.9
309.07474	0.6
309.28006	0.6
313.10754	0.6
323.09143	12.6
351.08902	0.9
369.09842	2.0
382.31500	0.5
387.20102	1.0
392.11478	0.9
405.22406	17.4
407.24039	16.6
423.23581	8.8
447.23221	2.9
449.25128	1.7
455.31833	0.8
460.17645	4.6
465.23895	1.7
470.25912	0.6
486.15884	1.5
488.16913	2.2
490.18652	1.1
491.22491	20.5
493.24384	2.5
507.24536	0.7
509.23318	3.2
516.16571	3.4
518.18243	0.8
520.27429	0.5
534.17645	0.9
544.01672	0.6
585.28833	1.1
627.29846	13.6
671.28882	100.0
672.29486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
69.31026	2.1
69.31458	1.6
70.06596	2.4
72.08138	0.8
79.05518	0.7
81.07053	0.8
84.08132	1.1
85.02867	0.5
86.09691	1.3
91.05482	9.6
92.30131	0.4
93.07051	9.1
95.04980	2.5
103.05460	7.3
105.04458	1.1
107.04982	1.0
111.04507	0.4
117.03385	1.5
119.04955	4.1
120.08183	0.7
121.06506	49.6
123.02219	0.5
129.10269	0.8
131.04938	0.6
132.04465	0.6
133.02850	1.2
136.07582	0.5
137.05975	7.2
141.03323	1.5
145.02843	2.6
145.06522	1.0
149.05974	2.0
151.03903	1.8
151.06372	0.4
151.07550	7.6
152.07025	1.0
159.72960	0.5
160.03972	0.6
161.05904	0.6
162.05498	1.0
164.07082	2.8
165.09122	1.9
173.06003	1.0
177.04178	0.4
177.05527	5.2
177.06960	0.6
186.03163	0.8
189.06956	0.6
191.07001	2.7
192.06563	1.7
194.08141	0.9
201.05374	47.1
202.05846	0.6
205.06511	2.5
206.07280	0.5
207.08035	0.9
211.07539	0.6
219.08104	1.1
220.05188	7.1
221.05989	1.6
222.06747	1.9
226.05035	1.3
228.06548	1.0
231.06546	0.9
233.05972	2.5
234.06804	1.8
235.07536	21.7
237.05455	1.7
237.09088	8.3
239.06935	0.6
244.06021	2.1
247.07552	1.7
248.04707	5.4
249.05533	3.2
250.06233	2.5
251.06990	0.8
252.07791	1.4
259.09772	0.6
260.04645	0.8
263.07047	29.3
264.07837	2.8
265.04987	6.8
265.08606	15.3
265.11441	0.6
266.09155	1.1
267.06647	1.3
276.04181	1.0
280.07297	10.7
282.08878	19.4
283.09540	0.5
291.06482	15.5
292.07199	1.1
293.04404	0.9
293.08081	0.9
295.09628	2.0
297.11230	10.6
299.09082	1.2
308.06714	4.2
308.09933	0.7
312.06400	0.6
313.10651	4.0
321.07529	3.2
321.10712	0.5
323.09137	100.0
324.09387	1.5
324.12436	1.7
325.10669	1.8
327.08707	0.5
340.11374	0.4
344.15225	0.5
350.10223	0.5
351.08676	1.4
352.11984	2.1
353.10172	1.6
362.10223	1.2
364.11804	4.5
369.09616	0.9
375.28070	0.4
392.11264	3.0
394.12692	1.5
458.15906	0.8
460.17557	55.6
461.18384	0.7
486.15515	11.0
488.17044	38.0
489.17194	0.7
490.18655	9.4
516.16553	37.8
518.18170	6.7
599.27191	0.5
653.24884	3.0
662.42957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
51.06157	0.4
53.03919	1.4
54.09464	0.4
55.05488	0.4
56.39107	0.5
69.03418	0.4
69.24187	3.8
70.06594	4.1
72.08143	1.6
81.07057	0.7
84.04500	0.5
84.08132	1.4
85.02892	0.8
86.09713	2.3
89.03897	0.6
91.05482	11.5
93.06491	0.6
93.07041	9.2
95.04981	3.1
95.08601	0.5
97.02931	0.5
97.37681	0.5
103.04816	0.5
103.05470	7.1
105.04494	0.9
105.07050	0.7
110.07132	0.5
115.05439	0.6
117.03376	0.8
117.07033	0.9
119.04927	4.3
119.08584	0.5
119.45484	0.4
121.06506	60.5
122.06874	0.5
123.04461	0.5
125.05994	0.9
129.10246	0.7
130.04173	0.6
131.04938	0.8
133.02823	0.4
135.04382	0.5
136.05312	0.5
137.05983	3.0
141.03355	2.6
143.04927	0.5
145.02863	1.8
145.06493	0.7
147.04361	0.6
149.05957	1.5
151.03876	1.5
151.07544	10.7
158.03575	0.5
160.03914	1.0
161.05972	0.5
162.05537	1.0
164.07051	3.0
167.07008	1.1
173.05963	1.4
177.04134	0.8
177.05475	2.7
178.05960	0.6
181.05087	0.5
186.03079	1.0
189.05278	0.6
191.07022	4.6
192.06587	2.6
201.05371	92.2
202.05881	1.1
205.04807	0.5
205.06525	1.7
207.08119	0.9
219.07919	1.1
220.05177	6.5
221.05908	0.9
222.06715	1.8
226.04887	0.9
231.06500	2.8
232.05167	0.6
233.05902	1.6
234.06732	2.2
235.05162	1.0
235.07538	20.1
236.08202	0.7
237.05476	1.5
237.06805	0.4
237.09097	6.3
239.07027	0.7
244.06026	3.7
247.07506	1.1
248.04732	4.9
249.05547	2.6
250.06282	2.7
251.07018	1.0
252.07864	1.3
260.04578	2.0
261.09406	0.4
263.07034	27.8
264.07617	2.2
265.04987	5.6
265.08600	15.9
265.11465	0.6
266.09351	0.6
267.06537	1.6
276.04163	0.9
279.35001	0.5
280.07324	9.9
282.08859	19.8
291.06500	14.5
293.08026	0.9
295.09616	2.4
297.07999	0.4
297.11237	8.0
299.09171	1.3
308.06909	3.3
313.10617	3.8
321.07556	4.9
321.10904	0.8
322.10773	0.6
323.09128	86.7
324.09396	1.2
325.10696	1.0
327.08676	1.5
353.10178	2.1
364.11789	14.9
369.09598	0.5
392.11224	1.1
394.12839	8.7
458.16208	2.6
460.17535	9.7
486.15308	1.2
488.17053	100.0
489.17334	2.7
490.18341	1.5
516.16553	8.6
518.18079	9.8
534.17731	1.2
549.87079	0.5
653.24878	3.4
671.26929	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.5
55.05515	32.5
57.03434	8.7
57.07080	15.3
61.02933	27.3
65.03949	1.7
67.05510	37.6
67.68307	1.0
69.03430	4.8
69.07072	50.0
71.05003	5.0
71.08632	10.0
71.51582	2.0
73.02924	9.4
73.06579	1.0
75.04469	1.5
75.58077	1.0
79.05494	17.5
81.03425	2.5
81.07063	52.4
83.04990	1.6
83.08625	38.3
83.96297	1.0
85.02911	32.6
85.06558	2.7
85.10185	3.5
86.09654	1.3
88.50885	1.1
91.03963	27.2
91.05480	3.7
93.07050	28.8
95.04986	1.1
95.08615	42.4
97.02893	18.5
97.06526	11.5
97.10175	26.9
99.04453	1.6
99.08102	3.1
107.08598	22.9
107.19733	1.0
109.10162	19.0
111.08091	8.0
111.11728	7.2
113.00034	2.4
113.09619	2.0
121.10153	51.4
123.11715	19.3
125.09631	4.3
125.13273	1.2
127.03928	10.0
127.11208	2.3
129.09096	1.3
135.11700	39.6
137.05974	4.4
137.13269	10.4
139.11185	4.2
140.72156	0.9
141.12628	1.6
143.10677	1.1
145.04971	13.4
149.13284	16.9
151.14839	1.5
153.12781	4.2
163.06033	24.3
163.07401	1.6
163.14844	8.3
177.16408	3.5
179.14400	1.6
181.15942	1.2
185.15376	1.2
195.17313	1.0
219.21083	42.1
219.99374	1.1
237.22147	100.0
255.23201	29.6
296.25705	1.2
311.25818	99.1
329.26871	80.9
405.29898	2.2
473.31155	5.7
517.29474	2.6
635.36194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01876	1.2
65.03926	1.3
69.68950	4.1
69.69359	2.0
79.05483	3.8
81.07052	1.9
85.02879	1.1
86.09714	1.6
89.03912	3.4
91.05488	19.4
93.07047	12.1
94.04189	3.3
95.04967	5.8
95.08581	1.5
97.02866	1.1
98.21439	2.1
103.05476	10.0
104.05003	2.2
105.03392	1.0
105.04483	1.0
105.07027	3.4
106.06556	3.3
107.04945	3.0
107.08588	1.0
109.06561	0.9
112.40265	1.0
115.05460	5.0
117.03374	7.5
117.07025	1.7
118.04165	1.1
119.04954	9.2
120.05722	4.2
121.02877	1.4
121.06513	54.6
122.03660	6.5
123.04438	2.0
124.05229	1.1
125.90883	0.9
131.04881	2.0
132.04448	6.4
132.05315	1.0
133.02843	1.9
133.06505	3.7
133.10144	1.1
134.03618	1.5
134.06012	3.5
135.04399	2.8
136.07547	1.8
137.05984	85.2
138.09174	1.1
143.04935	6.9
144.04465	1.7
145.01775	1.6
145.02853	19.3
145.06509	8.9
147.04411	2.6
147.11717	1.6
149.04713	2.7
149.05968	13.8
149.08554	1.0
150.05519	1.0
150.06740	1.3
151.03920	8.0
151.06496	0.8
151.07552	21.1
153.06967	1.4
158.03601	2.0
159.04366	1.0
160.03941	7.7
160.05136	1.7
161.04713	1.7
161.05966	4.6
162.05489	2.6
163.03964	2.8
163.24736	1.1
164.07085	3.3
165.07906	1.5
166.08708	6.9
167.07030	1.2
168.10260	5.3
173.06044	6.1
174.05501	4.0
175.03944	4.7
175.07608	6.0
176.07135	7.8
177.04178	6.0
177.05518	34.5
177.06882	1.5
177.07861	3.5
179.08501	1.5
181.05077	1.4
181.06511	1.3
186.03111	9.7
187.03876	1.5
187.07529	1.0
188.07048	2.6
189.05452	3.3
189.07045	1.4
191.07037	1.7
192.06578	27.7
194.08070	9.2
199.07623	1.3
201.05476	25.8
203.06905	1.3
205.06482	16.7
206.07124	2.3
207.06482	4.6
207.08153	1.8
209.87395	1.3
211.07594	1.3
215.03413	3.2
216.06487	1.4
217.08679	1.1
218.08067	3.7
219.08084	3.8
220.05206	2.4
221.05922	5.4
222.06752	9.6
223.07431	1.6
224.04665	1.3
227.07004	1.8
229.04996	1.4
233.05994	21.1
234.06720	6.4
235.07597	5.7
236.08112	1.2
237.05493	1.7
237.09119	14.1
238.06227	1.2
239.07127	2.2
246.06902	1.9
247.07536	5.9
248.04732	1.7
248.08249	1.2
249.05415	5.6
249.09245	1.3
250.06290	15.9
251.07060	3.2
252.07825	2.2
253.05034	1.4
254.05644	1.3
259.09726	1.6
261.05692	4.6
262.06268	1.4
263.06982	7.4
264.07819	11.1
265.05148	3.7
265.08624	35.0
265.11472	2.0
266.09320	1.7
267.06558	3.3
267.09940	1.3
268.07224	3.6
268.09787	1.4
269.08112	4.7
274.06125	2.3
275.06943	3.6
276.07779	1.2
277.04932	6.1
277.08026	1.7
277.36688	1.2
278.05783	11.0
279.06558	1.5
279.10132	5.0
280.07288	3.8
281.08032	2.6
282.08777	4.5
283.09744	7.4
284.10474	5.8
285.09985	2.9
289.05191	1.3
289.08450	1.1
291.06488	4.2
292.07306	27.0
292.10361	2.0
293.04581	4.6
293.08041	33.0
294.08725	1.8
295.05930	3.4
295.09656	6.0
297.11295	6.5
299.12216	2.4
300.12317	17.6
301.13004	4.4
302.05777	2.4
305.04355	1.5
307.09653	55.2
308.03412	1.8
308.06775	23.4
309.07401	1.8
310.08298	4.2
311.09116	1.3
317.08029	5.2
319.05701	1.8
320.06177	5.0
321.10837	1.0
322.07169	1.6
323.09149	22.2
325.10721	100.0
331.08517	1.6
335.09134	20.4
336.06195	3.5
337.09360	3.2
338.13867	2.4
340.11975	1.3
341.09976	2.4
342.13412	2.9
343.11819	3.3
346.10550	1.2
347.09311	1.5
349.10574	3.5
351.08643	62.9
352.08163	1.3
352.11914	18.2
364.12064	7.2
380.06442	2.0
380.11310	42.9
392.11340	16.0
460.17676	19.1
462.19159	79.5
463.19333	2.1
488.16977	8.2
490.18597	3.5
499.13852	2.8
516.16565	65.4
517.19843	18.3
518.18188	7.6
529.19592	3.5
552.59753	1.1
653.24988	17.2
671.26575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.4
66.82889	0.3
67.05495	0.5
71.51956	0.3
81.07052	0.7
92.93205	0.3
95.08617	0.5
96.90324	0.3
99.08108	3.1
100.08432	0.6
109.10165	0.8
119.08650	0.3
133.10129	0.7
135.11755	0.4
162.35773	0.3
168.04611	0.3
193.15900	3.0
194.16251	1.4
200.80286	0.3
252.55537	0.3
456.17438	0.4
463.26755	0.7
549.76489	0.4
669.39758	100.0
670.40027	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	669.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88627	0.5
58.26532	0.5
67.05511	1.0
69.56377	3.7
74.15422	0.6
79.05480	0.6
81.07074	0.8
83.08583	0.5
85.06553	0.8
86.09699	0.6
86.93835	0.5
88.39860	0.5
93.07044	0.8
95.08566	0.7
99.08097	6.9
100.08443	1.3
100.11279	1.2
107.08554	0.6
109.10181	1.7
121.10100	0.6
133.10146	1.8
135.11757	0.7
189.78242	0.5
193.15871	5.2
194.16219	2.8
204.64331	0.5
219.32022	0.6
229.12102	0.9
609.37384	0.6
669.39685	100.0
670.40125	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01867	0.4
55.05509	3.0
57.07071	1.3
59.05003	1.3
67.05508	8.0
69.07065	2.5
71.04994	0.3
71.07304	0.4
79.05499	3.3
81.07069	5.0
83.04970	1.5
83.08621	0.8
85.06548	9.9
85.10159	0.4
91.05476	2.4
93.07050	7.7
95.04977	0.8
95.08614	5.7
97.10195	0.4
99.08096	100.0
100.08427	0.4
105.07020	3.1
107.08595	8.4
109.06513	1.2
109.10162	15.9
111.08067	0.5
117.07005	0.7
119.08578	5.1
121.10139	2.5
123.08111	1.9
123.11716	2.3
131.08549	1.1
133.10133	27.1
135.11691	12.2
136.48422	0.4
137.09619	5.7
138.10388	0.8
145.10101	0.6
147.11659	1.1
151.11188	3.3
165.16371	0.9
175.14827	5.3
193.15884	99.4
194.16135	0.9
210.12112	0.4
211.13298	1.1
252.78268	0.4
346.47330	0.4
369.24103	0.5
387.25403	0.5
405.26389	0.6
434.76163	0.4
449.25952	0.4
668.40106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01882	1.4
55.05506	3.1
55.67930	0.7
57.03460	0.8
58.52618	0.8
61.02927	1.0
65.03952	0.8
67.05506	6.3
67.54511	0.8
69.03429	2.8
69.07076	3.8
70.06596	8.3
71.04988	1.6
71.51781	1.3
72.08148	2.5
79.05513	5.8
81.03407	2.2
81.07071	9.9
83.04971	3.5
83.08643	4.0
84.04512	1.4
84.08145	3.3
85.02911	5.7
85.06547	1.3
86.09705	3.8
87.04472	0.8
91.05489	11.7
93.06483	1.4
93.07046	19.9
95.04986	4.2
95.08615	16.1
97.02905	2.4
97.06535	5.1
98.69936	0.8
98.97509	1.0
103.05493	1.4
105.03380	1.8
105.04533	1.0
105.07042	9.4
107.04958	1.6
107.08601	13.7
109.06516	4.3
109.10175	2.8
110.07206	1.5
111.08094	3.9
117.03371	1.3
117.07033	3.9
119.04938	2.7
119.08611	5.6
120.08088	1.5
121.06519	13.6
121.10158	14.6
123.04414	1.1
123.08069	15.7
123.11719	1.8
125.06023	2.2
125.09605	1.9
128.06244	1.4
129.06976	1.7
129.10271	1.7
131.04930	1.1
131.08563	12.6
131.76898	0.8
133.06499	1.1
133.10138	5.7
135.08046	3.1
135.11687	2.5
137.05984	5.5
137.09631	1.6
139.07524	2.2
143.08563	4.4
144.09381	1.0
145.02834	2.9
145.05002	0.8
145.06497	2.0
145.10138	19.8
147.08043	4.3
147.11684	3.1
149.05946	1.5
149.09627	15.1
149.13281	1.9
150.10410	2.5
151.07590	1.9
151.11180	2.2
155.08530	3.2
157.10147	3.0
159.08035	2.9
159.11690	10.5
161.09657	2.6
161.13252	2.0
163.03877	1.5
163.11183	2.0
167.07025	2.4
167.08522	1.3
167.10696	26.8
168.09465	0.8
169.10127	2.1
171.08041	4.5
171.11714	3.5
173.09628	10.8
173.13258	9.0
175.11188	2.1
175.14864	1.2
177.05521	5.0
181.04996	1.2
181.10078	1.6
183.11671	3.0
185.09578	2.0
185.13287	1.6
187.11195	4.9
189.09164	2.0
189.12791	7.8
191.10663	6.4
191.14310	2.1
194.08241	1.1
195.08591	0.8
195.11664	2.2
197.09621	1.4
197.13263	2.0
199.11192	1.4
201.12814	3.8
203.14328	1.9
205.12218	1.8
207.11807	1.2
209.13307	1.7
211.14874	1.1
213.12744	2.0
215.10587	0.9
215.14288	2.2
219.13815	16.6
223.11230	1.4
223.14856	1.5
225.12694	1.4
227.14325	0.9
229.12178	1.8
229.15758	1.4
231.13852	2.3
233.15268	0.8
235.14876	1.3
237.12691	1.5
239.14319	1.3
240.50546	0.8
247.13200	2.5
251.14284	0.8
255.17307	1.3
265.15872	2.8
265.19434	1.1
267.13519	0.9
267.17526	1.6
278.31100	0.7
283.16913	3.7
285.18506	3.6
293.18945	4.1
299.16531	1.0
301.18152	1.5
303.19647	12.3
311.20120	6.1
314.14001	1.2
319.19107	0.8
321.18478	1.5
329.21088	4.6
333.06885	0.9
339.19583	7.1
347.22226	1.9
357.20648	10.8
375.21600	6.5
433.27338	4.5
451.22754	1.5
451.28503	18.2
469.29559	37.8
470.29907	0.9
487.30588	100.0
488.30814	1.5
505.31754	8.9
667.22504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.05502	2.9
60.73193	0.8
61.40934	0.6
65.03964	0.7
67.05509	5.5
69.03424	2.9
69.07064	2.8
69.09097	0.6
71.05010	0.9
71.53516	1.0
79.05496	5.0
81.03431	4.2
81.07051	5.1
83.08627	1.4
85.02901	2.3
85.06535	1.9
86.09711	1.2
87.76322	0.7
91.05489	5.3
93.07053	5.4
94.31919	0.6
95.05011	1.0
95.08614	11.3
97.02891	1.7
97.06529	2.1
99.04438	1.0
99.08092	1.6
105.07030	8.1
107.08601	5.6
109.06528	0.7
109.10152	2.2
115.05399	0.8
117.07022	2.5
119.08583	4.3
121.06516	0.8
121.10132	5.5
123.08051	1.6
123.11686	1.2
125.09650	1.8
127.03970	1.1
129.07039	1.6
131.08574	7.7
133.10133	100.0
135.08060	1.6
135.11696	2.1
137.09642	0.9
143.08566	2.0
145.10097	4.6
147.08043	0.8
147.11694	2.4
149.09573	3.2
149.13240	2.0
149.44505	0.7
151.11203	1.3
155.08488	0.8
157.10162	0.9
158.10921	2.7
159.11696	1.6
160.16794	0.6
161.13295	0.9
163.14807	2.8
165.88889	0.6
171.11635	0.9
173.13269	28.3
175.11131	0.6
175.14735	0.7
184.07327	1.0
185.13278	1.2
191.14302	18.4
209.15390	7.0
261.22238	1.5
273.22214	0.7
276.27240	0.7
315.23120	0.6
334.09619	0.7
338.10242	0.7
341.24515	0.9
346.90552	0.7
351.22818	0.7
369.24286	2.3
387.25217	1.9
405.26270	2.3
675.84271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01866	1.0
55.05518	7.0
56.88354	0.7
57.03439	1.8
57.07061	2.4
65.03919	2.2
66.01936	0.7
67.05507	24.9
69.03436	10.5
69.07067	6.8
71.04990	7.9
71.52431	1.2
79.05495	19.9
81.02988	1.1
81.03421	11.8
81.07063	17.6
83.04986	4.2
83.08605	2.6
85.02911	5.8
85.06548	45.5
88.69164	0.7
91.05487	16.0
92.57278	0.7
93.07048	25.8
95.04990	5.0
95.08059	1.2
95.08614	13.8
97.02892	5.6
97.06524	2.5
97.10150	1.4
99.04453	1.7
99.08074	3.6
105.07023	15.1
107.04964	4.2
107.07880	1.2
107.08598	18.8
109.02873	3.2
109.06537	3.6
109.10168	5.3
111.04452	5.9
115.05412	0.9
115.13268	0.9
117.07002	6.4
119.08598	12.8
121.06510	7.5
121.10140	13.8
123.04433	1.8
123.08104	1.5
123.11743	1.2
125.05965	2.7
127.03905	3.0
128.06277	1.2
129.07033	6.3
131.08571	36.8
133.06497	1.3
133.10126	6.4
135.08064	2.2
135.11707	6.5
137.05946	1.1
137.09624	3.4
141.05453	0.8
141.07024	0.8
143.07030	1.4
143.08537	2.1
145.06438	1.3
145.10130	19.9
147.08057	3.3
147.11720	4.1
149.06000	1.3
149.09621	28.6
149.13260	3.1
151.07547	1.4
151.11104	1.2
153.05446	2.6
155.07077	1.0
155.08574	1.8
157.10129	2.5
159.08008	0.8
159.11662	3.8
161.09680	1.0
161.13261	2.4
163.07544	1.6
163.09872	1.1
163.11179	13.1
163.14824	0.8
165.09142	6.7
167.07243	1.2
167.10693	14.3
169.10083	1.5
171.11719	1.9
173.09624	3.0
173.13280	2.0
175.11180	1.1
175.14824	1.1
179.10681	1.1
185.13258	1.8
190.71349	0.7
191.10677	40.2
197.11679	1.1
205.12248	0.8
209.11732	58.0
227.12782	100.0
228.13089	1.1
241.19666	0.9
259.20721	1.7
261.22137	2.1
267.49399	0.7
277.21622	2.1
303.23224	2.1
315.23080	1.8
317.13892	1.4
319.22675	1.0
327.23148	1.4
351.23038	1.3
369.24316	3.8
387.25278	5.1
405.26315	4.3
423.27435	1.7
572.50806	0.9
605.22455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05506	3.2
57.07073	4.2
58.76731	1.4
61.02926	2.7
67.05499	5.5
69.03421	2.0
69.07069	6.5
69.34511	1.9
69.34863	11.9
70.06592	6.2
77.88609	1.4
79.05488	3.8
81.03442	2.7
81.07063	11.8
83.08626	4.3
85.02924	12.7
86.09688	2.3
88.07639	6.5
91.05487	4.1
93.07053	11.3
95.08616	30.8
97.02897	3.5
97.10193	1.8
101.37308	1.4
102.09180	2.1
104.16312	1.4
105.07036	18.4
106.08674	5.8
107.08597	17.8
109.02871	1.4
109.10156	19.7
119.08587	15.1
121.10149	24.5
123.11682	7.2
127.03947	2.1
129.88441	1.4
131.08539	8.3
133.10135	11.0
135.11717	14.2
137.13393	1.5
143.08580	2.0
145.04990	2.5
145.10117	11.0
147.11671	9.1
149.13274	8.5
157.10120	2.2
159.11708	22.1
161.13226	11.6
162.07646	2.2
163.14816	14.3
171.11716	3.3
173.13297	32.7
175.14824	11.2
177.05423	1.9
180.08673	10.5
185.13228	7.1
187.14824	25.8
189.16397	7.5
191.17957	60.4
193.12259	2.0
199.14780	1.6
201.16431	3.9
203.17979	16.4
205.12224	3.0
205.19565	7.4
207.13840	3.0
213.16405	2.6
215.17973	5.8
217.12247	1.4
217.19511	9.5
219.13803	24.7
231.13872	5.0
233.15372	37.6
245.15379	2.7
247.16847	2.2
256.26392	4.6
259.16971	6.2
261.18521	4.6
274.27411	100.0
275.20190	2.4
277.14301	3.3
279.16083	2.2
300.54407	1.7
305.17523	3.4
356.70361	1.5
377.32166	4.6
393.31042	2.8
395.33014	14.4
396.33524	1.6
423.32507	20.0
441.33636	23.5
451.32047	3.3
469.33154	74.7
470.33722	3.0
487.34363	4.2
576.06140	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
52.15294	0.4
53.03944	2.7
55.01875	1.2
55.05263	0.7
55.05513	6.0
57.03434	2.5
57.07075	0.6
61.02924	3.0
63.13243	0.4
65.03946	1.4
67.05505	18.5
68.99811	0.7
69.03425	11.8
69.07070	6.7
69.63303	1.3
69.63718	1.1
70.06592	2.4
70.69770	0.4
71.04997	1.4
72.08149	0.4
73.02927	1.2
73.38891	0.4
77.03886	0.4
79.05018	0.5
79.05491	12.3
81.03414	7.2
81.07055	42.0
83.01332	0.5
83.04984	0.9
83.08636	2.2
84.08161	0.7
85.02904	33.4
86.09706	1.7
87.00831	8.5
87.04483	1.2
91.03967	0.9
91.05482	15.6
93.07044	29.7
95.04989	1.6
95.08606	53.5
96.08983	0.5
97.02892	13.3
97.06517	0.7
97.10177	1.5
99.04449	4.0
103.05468	0.9
105.01868	21.2
105.07030	53.5
107.04927	0.5
107.08594	52.1
108.67324	0.4
109.02874	8.0
109.06518	0.9
109.10155	39.7
111.08107	0.9
111.11739	0.8
115.08746	0.5
117.07025	1.3
119.08582	34.4
120.08867	0.4
121.10143	18.5
123.08092	0.7
123.11716	9.5
125.09644	0.6
127.03920	20.0
127.11266	0.4
129.01872	0.7
129.10251	0.6
131.08559	2.1
133.10132	24.0
135.11694	12.1
137.05946	0.5
137.13255	0.7
143.08609	0.4
143.77203	0.4
145.02821	0.6
145.04958	10.6
145.10124	2.5
145.84599	0.4
147.02914	0.5
147.11685	43.9
148.12367	0.4
149.06157	0.4
149.13255	1.7
151.11180	1.2
159.02931	2.0
159.11700	2.5
160.12375	0.4
161.13243	14.5
163.06003	1.1
163.14830	11.4
165.12761	1.2
173.13306	0.4
175.14812	7.9
177.04008	0.4
177.05472	1.2
177.16441	1.0
178.88902	0.4
189.03947	0.9
189.16347	0.7
201.16359	1.3
203.17952	100.0
204.18297	1.0
205.19463	0.8
213.04005	1.3
213.16440	0.6
215.17940	0.4
221.19002	6.1
231.04980	8.7
245.18942	0.5
249.06061	7.6
271.07947	0.8
284.09741	1.4
291.10257	0.6
296.37296	0.5
329.21115	0.6
359.07587	0.8
365.23389	0.5
393.10263	0.6
400.26947	2.0
451.23184	0.5
535.60632	0.5
570.19977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54853	1.7
54.08731	1.5
55.01863	6.0
55.05506	5.1
57.03405	1.6
57.07063	2.8
67.05506	16.2
69.07088	7.8
71.52754	1.7
79.05498	13.3
81.07058	31.3
83.04985	2.4
83.08585	3.2
91.05486	7.1
93.07053	13.7
95.04940	1.8
95.08609	13.1
98.21036	1.9
105.07011	6.0
107.08590	8.6
109.06528	9.2
109.10151	6.4
109.48158	1.8
111.04436	13.4
119.08586	7.3
121.10156	8.1
123.08109	1.7
123.11707	4.4
123.66871	1.7
123.96768	1.6
125.05946	2.3
131.08582	4.1
133.10104	5.0
135.08052	1.8
135.11694	6.1
137.05989	100.0
137.13226	2.7
145.10204	2.7
147.11673	5.1
149.09625	4.3
149.13303	2.7
161.09593	6.0
161.13289	3.9
163.11166	3.6
165.09207	1.8
175.11211	2.8
179.10538	2.4
184.07309	3.0
189.12837	1.7
193.12224	2.6
203.17964	5.9
213.16412	2.7
231.17430	4.6
249.18532	5.7
277.18008	43.2
295.19067	9.1
308.29614	2.9
335.25806	34.0
351.21667	15.9
369.22601	1.7
417.09729	1.8
611.43121	62.7
612.43121	2.2
629.43951	2.2
664.48810	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	659.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94723	0.2
67.05463	0.5
69.34859	2.3
79.05511	0.4
86.09708	0.4
89.06017	0.6
93.06992	0.3
98.21585	0.5
104.49980	0.3
105.07040	0.6
106.07368	0.3
107.08619	0.3
109.06533	0.3
133.08606	0.5
155.87744	0.2
170.17320	0.3
172.44348	0.3
203.15158	0.3
237.13460	0.4
255.14383	0.4
378.09460	0.3
599.22247	1.1
627.21930	0.9
659.24377	26.0
659.40985	100.0
660.25317	2.2
660.41602	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	663.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89812	0.4
55.05500	0.5
57.07080	49.1
57.07473	1.7
71.34536	0.8
77.03547	0.5
77.03947	0.5
79.05482	0.7
80.59113	0.4
87.04446	1.0
91.05487	6.2
92.01652	0.5
93.07026	0.6
95.04943	0.6
97.55985	0.4
101.43130	0.4
105.07007	1.8
107.08604	0.4
107.88022	0.4
109.10180	0.4
112.53560	0.4
117.07023	0.5
119.08556	1.3
121.06534	0.4
132.09309	0.6
133.10081	0.5
147.11679	6.6
152.06189	0.8
153.07019	3.0
191.29420	0.5
211.87651	0.5
215.02463	0.6
228.09396	0.5
229.10161	1.3
233.03639	4.4
251.04691	16.4
307.07294	0.5
307.10928	2.0
309.06555	0.7
316.94305	0.5
327.07813	100.0
328.08075	1.1
363.17130	0.6
383.14084	74.2
384.14362	1.0
439.20349	78.6
440.20718	1.6
480.22980	0.6
495.26611	66.8
496.26923	0.9
551.32867	84.1
552.33325	2.3
607.39111	78.5
608.39325	2.2
663.45392	21.7
664.45068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
67.05505	6.0
69.03436	2.4
69.07066	2.8
70.87730	4.6
70.95754	1.6
78.63855	1.7
79.05497	5.0
81.03429	2.0
81.07054	8.0
83.08597	2.5
85.02927	3.6
87.04494	2.1
91.05463	10.0
91.44984	1.8
92.84621	1.6
93.07050	7.6
95.08620	4.7
105.07031	20.1
107.08592	4.6
109.06532	4.0
109.10153	4.4
117.07029	3.8
119.08591	16.7
121.10146	4.4
130.07858	2.6
131.08571	7.1
133.06502	7.7
133.10114	2.9
135.08080	2.3
135.47565	1.8
137.05989	2.3
143.08575	2.4
145.10123	20.1
147.08044	3.6
147.11682	27.5
154.06711	2.0
156.09361	6.9
159.08066	3.2
161.13258	2.7
171.11694	8.9
174.10307	2.1
189.12743	100.0
199.14822	2.0
207.13812	31.8
225.14745	1.9
243.71931	1.9
261.22351	2.2
287.78876	1.9
297.80746	1.9
369.24426	2.6
387.25195	4.1
405.26233	6.0
418.40359	1.9
664.46649	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	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
54.01936	1.4
54.49071	1.3
55.01867	5.5
55.05515	8.9
57.03439	21.4
57.07063	2.1
58.55277	1.3
61.02932	73.5
64.33955	1.4
65.03931	3.0
67.05513	40.2
69.03434	30.9
69.07075	8.9
69.22198	1.3
69.95620	7.3
71.01359	5.3
71.04987	5.8
73.02926	22.6
75.04463	1.8
79.05495	24.4
81.03421	22.3
81.07061	42.2
83.04985	6.0
83.08629	5.9
85.02911	100.0
85.82092	1.4
87.04449	3.6
91.03961	59.9
91.05476	15.7
93.07047	28.4
95.04987	4.5
95.08617	30.6
97.02896	76.7
97.06558	2.7
97.10159	3.3
98.21420	2.4
98.97563	1.6
99.04454	12.3
101.02390	8.7
103.03943	9.2
105.07028	12.8
107.08590	15.8
109.02874	11.5
109.10155	14.1
112.99123	1.7
115.03921	7.9
117.05514	3.0
117.07021	6.3
119.08583	11.2
121.10143	16.9
123.08076	1.6
123.11694	7.6
127.03929	38.9
129.05479	5.4
131.08571	8.2
133.10114	9.1
135.11697	10.7
137.13245	1.6
143.08586	2.2
145.04970	25.1
145.10126	8.3
147.11708	6.0
149.06113	1.6
149.13269	6.9
151.14751	1.8
157.10205	1.8
159.06529	3.0
159.11729	6.2
161.13248	6.0
163.06003	7.4
163.14812	3.0
171.11653	1.9
173.13304	4.7
175.14847	2.2
183.06535	6.1
187.14804	5.0
201.07559	4.2
201.16434	1.6
219.08676	1.8
243.21115	4.2
259.20547	2.3
261.22214	15.3
303.23264	2.0
317.17764	2.0
335.25818	68.7
363.25101	2.2
369.24371	3.7
377.26813	1.8
387.25378	3.0
443.28302	3.6
461.28897	2.8
479.29974	9.3
493.67822	1.8
497.31039	2.8
553.27002	2.9
658.47632	2.0
659.36462	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	659.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01868	1.2
60.36633	0.4
61.01801	0.4
61.02877	0.4
65.03933	5.7
67.05509	2.5
67.05820	0.5
69.03419	1.9
69.07059	0.8
69.85389	1.8
70.06571	1.8
75.02681	0.4
79.05507	3.0
81.03418	1.3
81.07056	0.9
82.00550	0.4
82.04164	2.2
85.02898	3.8
86.09693	1.3
91.05482	3.6
93.03394	1.6
93.07005	1.2
95.04965	2.2
95.08588	0.6
97.02892	1.1
97.06520	1.7
97.83725	0.4
98.21410	0.7
101.02400	0.5
103.05466	1.6
105.07027	2.1
107.04962	4.5
107.08574	0.6
108.02096	0.9
109.06485	0.7
109.10152	0.8
110.03660	3.5
110.07178	0.5
111.04427	2.1
115.05449	3.4
117.03387	1.1
117.06998	2.6
119.04927	0.8
119.08581	1.3
120.08088	0.5
121.06506	2.6
121.10135	0.7
122.06817	0.4
123.00771	0.6
123.04416	1.6
124.05217	0.6
125.05979	2.6
127.03960	1.0
128.06285	0.7
129.06982	1.5
131.04932	1.7
132.05730	0.5
133.02876	0.8
133.06485	3.0
137.05022	0.4
137.05925	2.4
138.03114	1.8
139.03911	1.0
140.04678	0.4
141.01628	0.4
142.02618	2.7
142.84467	0.4
143.04900	1.4
144.05695	1.0
145.02835	1.6
145.06488	3.8
147.04430	1.5
147.08020	2.5
149.06000	0.7
151.07504	0.7
152.04779	0.6
153.05484	3.2
155.05966	1.1
155.07083	0.7
157.06497	0.9
159.04413	0.6
159.08102	0.5
159.11629	0.7
160.05217	1.0
161.05974	4.8
163.07521	1.0
164.07097	0.6
165.05502	1.6
165.09096	1.0
167.07053	12.4
171.06522	3.2
172.05171	1.9
173.05989	3.9
173.13283	0.5
174.06691	1.2
175.03871	0.4
175.07521	4.3
176.04669	1.5
177.05458	4.2
179.07059	0.8
181.04951	100.0
187.14799	1.0
187.58337	0.5
189.05476	2.0
190.06171	0.5
191.07014	3.1
191.17950	0.7
192.07825	0.7
193.04976	1.2
193.08600	2.7
195.06488	1.0
197.08044	0.5
200.04660	0.9
201.05443	1.1
203.05322	0.9
203.07040	1.9
204.06496	0.7
205.06693	0.6
205.08493	3.1
207.06500	2.6
207.08298	0.6
207.10172	2.1
208.07326	1.2
209.08066	1.2
211.07507	0.5
217.08563	4.1
218.05620	0.6
218.09311	0.5
219.06412	3.6
221.05963	1.0
221.07990	5.6
225.07565	3.1
226.06386	0.5
226.08516	0.5
231.06485	1.0
233.06013	0.9
233.08055	11.4
234.06821	0.6
235.07422	1.1
235.09613	9.5
246.06708	0.5
247.07567	1.0
249.05319	0.8
249.07399	3.4
250.06198	0.8
251.06894	0.8
251.09222	0.8
261.07565	6.6
262.06317	0.6
263.06964	1.3
263.09357	0.7
264.07813	0.9
265.08548	1.1
267.06500	0.9
267.10110	0.5
269.08102	0.4
271.09586	0.9
275.06882	0.5
276.07895	0.5
277.08530	0.8
279.08646	10.4
280.07257	0.7
281.08142	1.2
286.08328	0.6
290.05695	0.5
291.06287	0.6
292.07410	0.9
293.08051	1.5
294.05530	0.4
295.05969	0.6
295.09445	1.0
299.09048	0.7
307.06030	0.9
307.09363	0.8
309.07620	1.5
309.11050	0.9
310.08389	1.0
311.09085	0.8
320.06464	0.4
321.07455	1.1
322.08279	1.2
323.05688	0.6
323.09213	2.0
325.10782	1.6
327.12357	0.5
331.11746	1.2
333.08124	0.5
337.10565	1.2
338.07901	0.9
339.08636	1.1
341.10144	0.9
343.11963	1.1
345.09476	0.6
347.11282	0.6
351.08569	0.9
352.09607	0.5
353.10098	5.3
354.10779	0.6
355.11719	1.2
359.11105	2.1
365.10242	1.6
369.09381	0.6
369.13525	1.0
370.10394	0.5
371.11545	0.5
373.12787	1.5
383.11237	2.3
384.12119	1.1
385.12836	7.7
387.14029	1.1
397.12842	3.5
401.12296	4.4
403.13898	4.4
415.13879	35.3
416.14429	0.9
417.15506	1.3
433.14987	4.5
459.16458	0.6
478.18436	0.5
579.17841	0.8
611.21289	0.7
627.24927	0.6
641.22150	3.6
659.38428	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.359
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19502	0.3
53.03957	0.5
55.01884	0.5
55.05507	1.4
57.03439	2.3
57.07078	6.2
58.06602	2.1
61.02932	7.5
65.03944	0.6
67.05505	4.7
68.05031	0.4
69.03424	2.9
69.07071	1.3
70.06597	16.6
70.21344	0.7
70.21742	0.7
71.04997	0.5
71.08633	2.4
72.08154	0.5
73.02915	2.4
79.05488	2.5
81.03414	1.9
81.07063	3.2
83.04995	0.4
83.08603	0.7
84.08149	0.5
85.02908	9.0
85.10184	0.9
86.39571	0.3
87.04464	0.5
88.07635	19.6
91.03961	5.3
91.05492	1.8
93.07048	3.3
95.08603	3.5
97.02892	8.2
99.04458	1.5
101.02403	0.5
102.09182	15.1
103.03916	0.8
105.03410	0.7
105.07024	1.3
107.08607	1.8
109.02890	1.3
109.06500	0.4
109.10180	2.0
111.04440	0.4
115.03919	0.6
117.07034	0.7
119.08585	1.0
121.02843	0.5
121.10168	1.4
123.11754	0.4
127.03924	3.6
131.04967	0.8
131.08598	0.9
133.10152	0.8
135.11705	1.3
143.08495	0.5
145.04982	2.3
145.10120	0.8
147.04445	0.6
147.11716	1.0
149.02351	33.9
149.03296	1.2
149.13274	0.8
159.11678	0.8
161.13306	0.6
163.06123	0.5
163.14714	0.4
173.13300	0.6
175.03926	0.8
177.05501	1.2
183.06552	1.0
184.33284	0.4
191.07019	0.5
193.04971	43.3
201.07640	0.5
212.23853	0.5
219.06627	1.0
225.05435	0.6
237.07587	11.3
237.10019	0.7
243.21094	0.7
256.26361	41.6
257.26968	0.5
261.22119	1.8
269.04523	1.3
274.02026	0.4
274.90714	0.4
297.03879	2.3
300.29047	0.9
303.23523	0.4
313.07043	2.3
335.25824	7.6
341.06558	8.0
343.07883	0.3
359.07635	6.7
377.26248	0.4
385.09192	19.0
386.09872	0.4
403.10437	0.5
429.11850	25.9
479.30090	1.0
640.34790	1.3
658.35870	100.0
659.36200	3.0
678.25098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35561	2.1
55.05504	8.3
57.03423	2.9
57.07076	14.9
58.52362	2.9
59.04996	4.0
67.05508	100.0
69.07067	3.0
70.35275	7.7
71.08623	14.8
81.07057	24.2
83.08620	9.7
85.06559	3.2
85.10169	7.4
91.05490	6.9
93.07040	2.9
94.48203	2.2
95.08608	18.0
97.10168	2.4
100.07633	3.9
107.08588	2.4
109.10164	77.7
115.28677	2.4
119.08573	7.2
137.09541	2.4
155.10695	4.8
173.11766	15.9
181.30145	2.2
383.24313	89.9
467.37320	98.9
553.23755	2.3
656.51886	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	657.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05452	0.3
56.04970	0.3
69.03379	0.5
69.06980	0.3
69.36507	2.2
70.06509	3.4
71.04946	0.4
72.08071	1.8
78.74431	0.2
79.05450	0.3
81.03368	0.3
81.06973	0.3
84.04418	0.7
84.08120	1.8
85.02828	0.8
86.09613	1.7
89.03855	0.5
91.05477	1.6
92.34930	0.3
93.06964	0.4
97.02828	0.7
98.21488	0.4
98.97478	0.4
99.75787	0.3
103.01088	0.3
103.05418	0.3
105.03265	0.3
105.06915	0.3
107.04840	1.2
109.72821	0.3
110.07087	0.4
111.04359	0.3
115.05334	0.5
116.04930	0.4
116.07038	0.3
117.03277	0.7
117.06950	0.3
119.04817	1.0
119.05615	0.3
119.08496	0.3
120.08033	0.4
121.02750	0.8
121.06416	0.4
123.04377	0.3
125.05909	0.6
129.10135	1.0
133.02815	0.3
134.05927	0.4
135.04370	0.5
136.07544	1.6
137.05998	1.4
141.03354	1.9
144.04459	1.8
145.02832	1.3
145.04861	0.3
145.06371	0.3
149.05922	0.5
151.03828	0.8
161.05902	0.5
162.05511	6.0
163.03931	2.6
164.61566	0.3
167.06963	0.7
172.11534	0.3
173.05885	0.9
177.05475	2.4
179.08421	0.3
181.04855	0.4
186.03072	0.6
191.06984	2.1
192.05547	0.4
201.05367	47.0
202.05731	0.4
205.06447	0.4
206.07059	0.3
207.08070	0.3
214.48686	0.3
220.03189	0.4
220.05185	6.2
224.08148	0.4
226.04959	0.6
229.08481	0.3
235.07547	19.4
237.05353	1.0
237.09113	1.3
248.04698	5.0
249.05435	1.5
250.06319	0.6
251.07025	0.7
252.07716	1.1
263.07050	25.3
264.07797	2.1
265.04898	5.4
265.08530	2.6
270.10971	0.3
276.04099	0.5
280.07309	10.3
281.07544	0.3
282.08942	2.1
291.03464	0.3
291.06519	6.5
292.07080	0.4
293.04745	0.3
295.09634	1.2
297.11298	1.7
299.09091	1.1
301.07236	0.8
307.08569	0.6
308.06796	3.1
312.06134	0.6
313.10693	4.4
322.10837	0.5
323.09131	100.0
324.09344	1.0
324.12329	1.2
327.08694	1.2
329.06671	0.6
336.12387	0.3
337.09521	0.3
344.09079	1.0
352.11798	1.1
362.10193	7.0
369.09641	0.8
399.12061	0.4
433.09421	0.3
458.16022	20.3
460.18185	0.4
486.15494	49.4
487.15854	0.8
495.18753	0.4
504.16632	4.4
621.22211	3.4
639.23120	2.1
657.24176	0.7
657.36798	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	655.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59351	0.4
59.66100	0.3
67.05513	0.8
69.07065	0.4
69.25093	3.5
71.67870	0.3
79.05511	0.4
81.07047	0.9
93.07058	0.4
98.20791	0.9
105.07038	0.6
109.10155	1.0
143.06032	0.4
200.06535	0.5
281.10187	0.4
548.72620	0.4
637.51947	1.0
655.52753	100.0
656.53021	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59600	0.4
63.99046	0.5
70.65163	1.5
73.18132	0.5
79.05480	0.6
81.07047	0.8
130.44481	0.4
130.91093	0.5
133.10143	0.7
149.08206	0.4
159.11778	0.5
270.70807	0.5
471.38309	0.9
555.43750	0.9
607.50922	1.5
633.85431	0.5
637.51270	2.7
655.52747	100.0
656.53168	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29380	0.4
51.02373	0.4
53.03951	2.0
56.05046	0.4
57.03437	5.9
69.03425	1.2
69.07063	0.7
69.38873	2.9
70.06586	2.4
72.08144	1.0
73.02917	0.4
75.04474	0.4
77.03920	0.7
79.05490	6.2
81.03420	0.5
81.07054	1.1
81.97459	0.4
84.04495	0.5
84.08138	1.4
85.02903	4.4
86.06052	0.4
86.09707	1.6
91.05487	1.0
91.32877	0.3
93.07037	1.0
95.01331	1.3
95.04993	2.1
95.08587	0.4
97.02887	1.7
98.20747	0.5
103.05457	0.6
105.03391	62.7
105.04539	1.6
105.07053	0.5
107.08564	0.5
109.10168	0.6
110.07132	0.5
111.17127	0.3
113.02352	0.6
115.19520	0.4
117.03391	1.3
119.04951	0.4
120.08112	0.5
121.06528	1.9
121.10146	0.6
123.04430	13.2
127.03918	0.9
129.10257	0.6
132.22696	0.4
133.10147	0.4
136.07574	0.5
137.05966	1.6
141.01822	1.4
145.02849	3.0
145.04955	0.8
147.04411	0.5
149.05972	0.8
163.03925	0.4
164.07066	0.6
167.07051	0.6
177.05464	5.7
178.05818	1.1
179.07036	100.0
180.07358	0.9
187.07286	0.4
201.05443	0.6
283.09705	5.3
301.10898	1.8
325.10855	0.7
339.74634	0.4
355.10284	2.8
356.69116	0.4
409.20184	0.4
441.24762	0.4
463.10355	3.2
491.09647	0.4
655.57562	0.4
656.25769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.1
51.02399	0.2
53.03947	0.2
55.01864	0.1
58.98816	0.1
62.01617	0.1
63.02348	0.6
69.71504	0.6
77.03938	0.2
78.04722	0.2
79.05517	0.1
89.03921	6.1
91.05478	1.2
93.07028	0.9
95.04974	0.3
102.45235	0.1
103.05487	1.0
105.07021	0.2
106.04166	0.4
115.05444	0.5
117.03384	18.7
119.04952	0.4
121.06507	9.7
128.04408	0.1
129.04498	0.1
134.03621	1.3
135.04422	1.0
136.07616	0.1
137.05983	1.8
143.04944	0.8
145.02847	49.3
146.03111	0.3
146.05995	0.2
147.04442	0.1
149.05986	6.1
151.07513	0.6
152.07054	0.1
158.06020	0.3
160.05188	0.2
161.06033	0.1
162.03128	0.2
163.03870	0.8
163.07602	0.1
164.07076	1.5
173.06097	0.1
175.07549	0.8
177.05470	100.0
178.05815	0.5
179.08513	0.2
186.05496	1.8
191.07050	0.2
196.66618	0.1
201.05508	0.2
207.08101	0.1
217.08580	0.2
218.08133	3.5
265.08420	0.1
267.10049	0.2
293.07910	0.1
299.12741	0.6
307.09833	0.2
309.07501	0.2
310.08301	0.1
316.15460	0.9
323.09167	0.2
325.10757	0.7
342.13385	1.1
351.08377	0.4
386.45761	0.1
451.93500	0.1
462.18918	0.1
479.21603	0.3
488.16968	0.2
492.20166	11.1
493.20370	0.3
518.18127	0.3
662.54132	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	655.2654
Annotation	PdOEPK
Peak:m/z	Relative Intensity
51.52247	0.2
63.02372	0.7
69.76225	0.7
69.76631	1.0
70.06585	0.7
78.04714	0.7
86.09698	0.4
87.35878	0.3
89.03921	11.2
91.05486	2.0
93.07046	0.5
95.04961	0.4
98.21407	0.5
103.05494	0.8
106.04185	0.7
117.03387	31.5
119.04937	1.0
121.06514	2.5
123.17284	0.2
134.03629	1.9
135.04436	1.2
137.05978	0.7
145.02855	77.7
146.03122	0.4
147.04356	0.3
149.05989	10.4
151.07523	1.6
163.03922	0.9
164.07008	0.3
167.07100	0.4
173.06073	0.5
177.05479	100.0
178.05807	0.6
186.05537	2.8
189.07011	0.4
191.08656	0.4
194.07280	0.4
195.13771	0.3
201.05510	1.0
205.06517	2.5
206.07295	0.4
207.08104	0.3
218.07297	1.0
219.08093	1.2
221.06094	0.4
221.09572	0.3
222.06804	1.2
223.07544	0.4
233.05962	6.4
233.08081	0.5
234.06740	1.3
235.07541	1.1
236.04756	0.3
236.08342	0.7
237.09160	1.5
239.07031	0.3
246.06706	1.4
247.07639	1.6
248.04453	0.3
248.08151	0.6
249.05473	0.8
249.09290	1.3
250.06273	3.5
251.07047	1.9
261.05505	5.6
261.08707	0.5
262.06354	0.9
263.06955	2.4
264.07846	2.8
265.08609	5.1
266.06512	0.3
266.09271	1.4
267.06473	1.4
268.07288	1.0
274.06348	0.5
275.07089	1.3
277.04883	0.6
277.08600	0.8
278.05807	2.6
279.06464	0.7
279.09818	0.5
281.08057	0.7
282.08896	0.8
283.09659	8.6
289.08499	0.5
291.06543	0.5
292.07349	4.0
293.08096	8.2
293.11386	0.4
294.08734	0.5
295.06131	1.6
295.09314	0.5
297.11346	1.1
307.09671	11.1
307.13181	0.6
310.08279	2.1
311.09186	0.7
323.09174	0.7
324.12457	0.5
325.10727	38.1
339.08914	0.5
342.13376	83.3
343.13596	0.8
355.11792	0.5
368.11288	5.4
479.21841	1.2
488.16934	1.2
492.20062	0.8
500.16669	0.4
518.18140	41.3
519.18427	0.6
655.26062	0.9
658.95068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
60.14022	0.6
60.98490	0.6
65.03918	1.5
68.40681	0.6
70.06548	0.7
71.02543	0.7
71.02876	1.2
86.09673	0.6
91.05486	29.0
93.07043	7.1
95.04967	5.9
103.05484	5.7
105.04495	0.9
117.03350	1.6
119.04951	19.6
121.06514	51.3
125.05986	1.3
133.02827	0.9
136.05208	3.0
137.05910	2.2
141.03342	4.7
143.04926	0.7
145.02783	2.7
145.03818	0.8
145.06438	0.7
149.05887	1.8
151.07552	62.4
158.03622	0.8
162.03189	0.8
164.07112	3.3
173.05963	1.2
177.05458	5.1
186.02994	1.9
191.07069	5.3
194.08018	2.1
201.05365	100.0
202.05807	0.8
205.06369	2.4
206.07227	0.9
207.07870	0.7
219.07901	1.7
220.05244	3.4
221.05890	1.0
222.06685	1.8
226.04974	1.4
231.06450	1.9
231.91112	0.6
233.05829	2.4
234.06641	1.9
235.05199	0.9
235.07542	16.1
237.05441	0.9
237.09087	6.2
239.06973	1.3
244.06075	6.0
247.07388	1.4
248.04680	3.3
249.05348	3.9
250.06117	2.4
256.05856	1.5
260.04523	2.1
263.07059	19.8
264.07828	1.3
265.04865	3.2
265.08429	16.9
267.06326	1.5
270.07388	0.8
276.03885	1.0
280.07327	7.3
282.08865	19.3
291.06509	11.8
293.04443	0.8
295.09476	2.4
297.11249	11.7
308.06830	3.7
313.10666	3.4
321.07611	5.7
323.09155	71.1
324.09122	0.7
325.10431	1.3
351.08224	1.3
353.09818	2.1
364.11963	3.0
369.09238	0.7
394.12894	41.7
460.17581	36.6
461.17447	0.8
488.17075	41.2
489.16827	1.7
490.18640	10.8
518.18158	47.1
519.17877	0.9
650.14746	0.8
655.25653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
56.98902	0.9
58.32955	0.8
65.03931	1.3
70.95992	1.6
86.74194	0.8
89.03909	7.2
91.05487	23.8
93.07054	9.6
95.04963	3.7
103.05477	6.5
105.04505	1.1
105.07066	1.1
107.04973	2.0
109.06535	0.9
115.05403	1.0
117.03384	19.7
119.04948	14.9
121.06511	45.0
131.04927	1.8
133.02872	9.0
133.06535	1.9
134.03622	1.4
135.04407	3.8
136.05191	2.4
136.07610	4.5
137.05986	21.3
138.09125	5.8
145.02856	46.0
145.06464	1.3
147.04419	7.6
149.05994	20.6
150.03122	1.4
150.06749	9.0
151.06441	1.2
151.07555	12.5
157.03967	1.5
158.03668	1.8
159.04449	1.2
161.06003	6.6
164.07030	4.8
165.05537	1.3
166.08659	1.1
173.05981	4.0
174.03107	1.3
175.03908	14.2
175.07532	1.6
177.05486	96.5
178.05809	1.1
186.03107	6.5
186.05577	1.4
187.03896	8.0
193.04866	1.3
194.08360	4.3
195.06488	1.6
201.05458	19.0
203.06949	1.5
204.05684	1.1
205.04900	2.0
205.06519	8.5
207.08148	1.9
217.06470	1.7
219.08067	2.5
220.05298	1.4
221.05977	2.4
222.06775	4.4
233.05981	9.2
234.06627	2.9
235.07529	3.8
237.05487	1.5
237.09119	5.7
239.06944	2.2
247.07634	3.0
248.04747	1.7
249.05440	5.1
250.06316	8.3
251.06993	2.8
253.08537	1.0
261.05472	1.7
262.06210	1.4
263.07114	7.6
264.07800	4.2
265.04950	11.4
265.08582	15.0
266.09402	1.5
267.06491	2.3
275.07095	1.8
276.04004	1.1
277.05017	2.2
278.05673	4.7
279.06543	2.2
279.10019	1.4
280.07318	2.9
281.08154	2.5
282.09006	4.2
291.06503	3.3
292.07291	14.2
293.04443	14.6
293.08066	14.8
294.08755	1.0
295.06094	1.2
295.09592	2.8
297.11108	2.8
299.12753	1.9
304.03683	1.1
307.06204	1.8
307.09659	24.8
308.06787	87.8
309.07333	1.5
310.08255	3.6
319.06015	4.3
323.09125	11.8
325.10733	100.0
336.06293	4.3
351.08658	90.7
352.08954	1.8
368.11273	2.7
462.19067	4.5
479.21585	8.4
488.17093	41.6
489.17734	1.7
492.20242	19.7
518.18140	15.2
655.16876	1.4
655.26678	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	655.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01844	0.8
65.03910	1.1
69.41979	1.0
69.42398	2.2
71.04981	0.8
77.03893	0.5
79.05475	1.1
81.07051	0.4
91.05480	18.1
93.07045	4.0
93.38536	0.4
95.04987	3.6
97.42914	0.4
98.20757	0.7
100.12291	0.4
103.05463	2.9
105.04460	0.6
105.07006	0.5
113.81055	0.5
115.05438	2.6
117.03339	1.1
117.06992	0.6
119.04130	0.7
119.04942	11.7
121.05695	0.9
121.06507	15.4
122.03639	0.7
123.04349	0.6
123.08106	0.4
123.53674	0.4
131.04915	0.6
133.02873	0.5
134.03625	0.6
135.04352	1.0
136.05174	1.8
137.05984	9.8
138.09085	0.4
143.04941	3.1
145.02823	2.9
145.06448	1.3
147.04369	1.4
147.08052	0.4
149.05997	3.8
150.06743	0.9
151.03868	1.8
151.07547	33.2
152.07040	0.5
158.03571	1.5
160.05177	1.3
161.05937	1.3
163.03896	2.1
164.07063	1.5
165.05531	0.5
165.06895	0.5
168.10214	6.5
173.05960	2.9
174.06734	0.4
175.03920	2.7
175.07547	2.9
176.07068	1.2
177.05438	6.7
177.06996	1.6
177.09537	0.4
178.07748	0.8
179.05734	0.6
179.08566	0.6
181.06401	0.5
181.32761	0.5
186.03125	7.6
189.05447	0.7
189.07034	0.5
191.03362	0.4
191.06966	0.7
191.08537	0.7
194.08170	24.2
201.05461	16.9
201.06895	0.3
203.06978	1.3
204.05702	0.9
205.06476	11.8
206.07208	1.0
207.08023	1.4
209.09528	0.7
217.06424	0.8
218.07298	0.6
219.08113	2.1
220.05164	0.8
220.09641	0.5
221.05956	3.0
221.09474	1.1
222.06781	6.5
223.07405	1.0
224.08301	0.6
226.06184	0.7
227.07010	1.5
232.05354	0.6
233.05994	14.5
234.06728	3.8
235.07526	2.2
236.04695	1.0
236.08354	0.7
237.05362	1.3
237.09109	8.2
239.07011	1.7
239.10791	0.6
246.06847	0.4
247.07530	3.1
248.04640	0.6
248.08310	0.9
249.05479	4.2
249.09140	0.8
250.06259	11.5
251.06961	3.2
252.07883	0.9
253.08516	0.5
254.05753	0.5
261.05457	3.5
262.06445	0.5
263.07059	3.0
264.07782	6.3
265.04996	3.4
265.08585	19.4
266.09219	2.1
267.06488	2.2
267.09872	0.6
268.07343	0.5
275.06973	1.4
276.04178	1.2
277.05017	3.7
277.08032	0.6
278.05753	7.0
279.06500	1.6
279.10165	3.6
280.07407	2.4
281.08047	0.8
282.08841	2.2
290.05478	0.6
291.06528	2.0
292.07297	20.6
293.04483	4.7
293.08014	23.1
294.08911	0.9
295.05893	1.8
295.09518	1.0
297.11234	3.8
299.12772	5.0
302.13858	1.2
304.03674	1.5
307.09659	35.4
308.06781	20.0
308.09900	1.1
310.08398	3.4
319.05884	2.3
321.03949	0.7
323.09143	13.3
325.10712	100.0
326.11066	1.3
327.12259	0.4
336.06271	5.1
342.13031	0.5
351.08633	57.8
352.08890	0.9
462.19131	59.3
463.19501	1.0
479.21518	0.9
488.17377	0.9
492.20172	0.8
518.18262	4.8
655.26563	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1874
Annotation	Syringetin 3-robinobioside
Peak:m/z	Relative Intensity
55.01874	0.3
55.05520	0.2
57.03437	1.6
58.92463	0.1
59.04995	0.2
61.02931	1.7
64.18260	0.1
64.37336	0.2
65.03926	0.2
67.05502	0.3
69.03419	0.7
69.07107	0.2
69.72165	0.8
70.06245	0.3
70.06596	2.4
71.04995	10.4
72.08161	1.0
73.02927	0.8
74.06059	0.2
75.04472	0.6
81.03413	0.5
81.07055	0.1
83.04977	0.8
84.04505	0.4
84.08136	0.9
84.38969	0.1
85.02909	14.9
86.09719	0.8
87.04462	0.3
88.03957	0.2
88.74329	0.1
91.03957	1.1
91.05482	0.6
93.07044	0.4
95.04951	0.2
97.02895	1.3
97.06512	0.2
98.97649	0.2
99.04457	0.4
102.05542	0.1
103.05499	0.2
105.07012	0.1
107.04993	0.3
109.02867	0.2
109.06542	0.2
110.07147	0.4
111.04425	0.3
111.59410	0.2
115.05406	0.2
119.04968	0.2
120.08118	0.4
121.06503	1.4
122.03674	0.2
122.06862	0.4
124.05198	0.3
127.03919	0.6
129.04527	0.2
129.05490	3.4
129.10234	0.8
135.04442	0.3
136.07588	0.2
137.05988	2.6
138.06355	0.4
138.09152	0.2
145.02910	0.7
145.04959	0.3
147.06516	0.9
149.06018	0.2
151.03935	0.8
161.05913	0.2
162.03043	0.2
162.06512	0.2
163.03909	0.6
164.07091	0.3
165.01820	0.3
167.07057	0.6
169.01337	0.4
175.07507	0.4
177.05464	1.5
178.05818	0.2
183.02965	0.4
187.04095	0.2
187.07489	0.2
189.05373	0.2
191.06906	0.2
201.05467	1.1
202.05826	0.4
205.04732	1.1
233.04497	0.5
243.03011	0.3
244.03682	0.2
250.08229	0.2
258.05161	0.4
261.03934	1.7
272.03058	0.3
273.03983	0.4
282.11594	0.2
286.04736	0.5
287.05634	0.4
289.03427	2.9
293.96973	0.2
301.03494	0.4
301.06952	0.2
303.05066	1.3
304.05792	0.9
314.04141	0.4
315.05081	0.4
317.02939	4.6
318.03427	0.2
323.11160	0.2
324.09637	0.2
329.06720	0.2
331.04510	4.7
331.08102	0.4
332.05270	32.5
333.05753	0.4
339.14264	0.2
343.08249	0.4
347.07614	100.0
348.07816	1.2
355.11563	0.6
475.12854	0.2
475.19308	0.3
492.20358	0.6
493.20566	2.3
509.12924	0.4
655.24072	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1873
Annotation	5,7,4'-Trihydroxy-6,3'-dimethoxyisoflavone 7-O-(6''-glucosylglucoside)
Peak:m/z	Relative Intensity
55.01872	0.2
56.05046	0.2
57.78923	0.1
67.68657	0.1
68.99798	0.6
69.03446	0.3
70.06595	1.0
70.95905	0.4
71.01340	0.2
72.08135	0.3
73.89537	0.1
75.58772	0.1
81.03413	0.2
82.98303	0.1
84.04531	0.2
84.08128	0.4
85.02908	0.7
86.09688	0.4
91.05453	0.2
93.07037	0.3
97.02897	0.4
99.00819	1.0
99.04517	0.2
103.05476	0.1
109.06538	0.1
110.07186	0.2
110.07930	0.2
112.01575	0.4
119.08565	0.2
121.06499	0.6
127.00305	0.8
127.03857	0.2
129.10242	0.2
131.04947	5.4
134.03645	0.5
135.04401	0.4
137.05981	1.2
138.06340	0.3
139.00313	0.2
140.01089	0.5
145.02838	0.4
145.04942	0.2
148.05214	2.1
149.05994	0.8
153.01831	0.3
154.36026	0.2
159.04462	0.4
163.03897	0.2
166.99815	0.7
167.07111	0.2
168.00554	15.2
169.01308	0.3
175.03893	0.3
175.07616	0.3
177.05440	0.5
179.03426	0.2
182.02133	0.4
183.02902	3.1
185.00830	1.3
186.01611	6.1
197.05986	0.2
200.04803	0.3
205.08559	0.2
214.06276	0.3
225.05476	0.7
228.04227	0.4
242.05748	0.5
253.04897	0.2
256.03513	0.2
269.04446	0.4
270.05283	0.6
271.06088	1.1
273.03812	0.7
282.63739	0.2
284.03067	1.0
297.03964	0.2
298.04730	6.7
299.05505	0.7
301.03461	2.2
315.05051	0.5
316.05780	8.9
317.06052	0.2
331.08133	100.0
332.08600	1.2
493.13452	1.4
493.20184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.0
53.03954	10.2
55.01862	7.9
55.05269	2.8
55.05514	36.0
57.03440	10.0
57.07044	6.4
65.03933	5.4
65.28003	2.4
66.52491	2.0
67.05509	88.1
69.03431	35.6
69.07076	31.2
70.96379	2.3
70.96705	3.8
71.01345	4.0
71.04980	9.1
71.08632	2.1
73.02883	2.5
77.03894	2.2
79.05497	72.9
81.03421	56.4
81.07060	100.0
83.04578	2.2
83.04996	16.6
83.08620	13.7
85.02907	25.5
85.06527	6.8
91.05488	62.1
93.07048	79.8
95.04965	11.6
95.08614	83.8
97.02889	24.6
97.06522	11.8
97.10182	10.1
98.20889	2.3
99.04453	7.4
99.08090	6.5
103.03936	3.3
105.04498	3.6
105.07037	68.2
106.87813	2.0
107.04951	6.0
107.08598	50.4
108.04447	2.4
109.02905	13.8
109.06494	11.6
109.10165	33.6
111.04438	13.9
111.08042	4.5
113.09618	2.6
115.03932	2.6
115.05453	3.2
117.07011	29.4
119.08588	57.5
121.06493	8.7
121.10145	40.5
123.04482	3.2
123.08062	9.1
123.11710	10.5
123.57921	2.1
125.09595	3.3
127.03925	13.7
128.06224	5.6
129.05475	3.8
129.07004	20.8
131.08563	44.9
133.06496	8.1
133.10146	40.8
135.08069	5.8
135.11684	29.7
137.06006	3.4
137.09610	6.8
137.13245	6.1
139.11182	2.9
141.07001	7.0
142.07765	2.6
143.08557	19.0
145.06439	5.7
145.10126	33.1
147.08015	6.9
147.11705	28.4
149.06023	3.3
149.09575	5.5
149.13301	14.8
151.07564	10.4
151.11198	2.2
153.09111	2.5
155.08540	12.1
157.06473	4.3
157.10127	16.9
159.08040	6.0
159.11699	31.7
161.09619	6.0
161.13255	42.5
163.14845	4.9
165.09056	2.4
167.08522	3.8
169.08685	2.4
169.10136	8.1
171.08099	4.7
171.11703	19.3
173.09608	3.5
173.13242	22.2
175.11203	5.0
175.14767	4.4
177.09204	3.0
177.12799	4.0
177.16383	3.0
179.14316	37.2
181.08696	2.1
181.10153	7.8
183.11690	8.3
185.09647	4.1
185.13232	11.3
187.11136	3.9
187.14827	10.2
189.12781	6.1
191.10699	2.8
195.11667	4.8
197.13237	6.6
197.15385	19.6
199.11156	5.8
199.14816	7.2
201.12727	3.4
201.16388	2.8
205.15910	3.2
207.13826	3.5
209.13290	3.6
209.27489	2.2
211.14842	3.8
213.12694	3.1
213.16486	2.3
215.14417	3.0
215.16396	6.4
221.15398	3.4
223.14726	2.9
225.12802	2.1
231.13957	2.4
241.15846	2.4
243.20999	3.4
257.19141	2.7
259.20612	7.2
261.22229	14.4
267.21240	2.1
271.20743	2.5
273.22171	5.8
275.20044	2.8
277.14282	3.2
277.18936	2.2
277.21600	12.9
285.22089	5.2
287.16513	3.2
289.21597	7.6
291.23306	8.3
292.87634	2.4
301.18240	2.0
301.21609	7.8
303.23227	19.4
305.17392	8.4
313.12003	3.6
313.21439	3.6
315.23291	4.9
317.17621	3.3
319.22617	7.6
323.18536	4.6
323.23694	3.2
327.23044	4.4
341.24841	10.3
345.24011	4.9
351.23190	15.1
359.25693	3.8
369.19983	1.7
369.24249	39.6
387.25320	47.0
405.26340	36.1
423.27460	9.4
430.17383	3.4
488.21631	4.9
520.24054	2.6
561.24628	3.8
562.25281	43.0
601.39960	4.2
622.27429	49.5
672.14539	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.07067	0.5
58.06603	6.3
69.07065	1.6
69.85480	0.7
69.85891	0.4
70.06582	0.7
72.08158	3.0
73.06553	2.1
79.05500	0.3
83.04988	1.5
85.08903	0.3
86.09710	29.5
95.08590	0.2
98.06070	0.3
98.09711	0.5
100.11261	100.0
101.06020	2.3
101.11567	0.5
109.10132	0.2
112.11191	0.2
125.92735	0.2
126.09177	0.3
128.10735	0.6
140.14326	0.3
146.11766	2.7
154.12302	0.6
154.15916	3.8
156.10277	0.2
157.09753	0.2
158.93350	0.2
168.12671	0.2
168.13829	1.3
172.13304	1.4
182.15483	0.5
186.14905	1.3
196.13345	0.4
200.16452	1.7
214.14362	1.4
225.16061	0.8
228.15964	6.2
285.21732	5.1
309.21704	0.6
313.21399	0.6
313.24832	7.7
327.22861	0.7
341.24377	11.6
381.27469	0.4
409.27087	0.8
426.33179	0.4
440.31161	0.3
454.32925	2.4
472.27075	0.3
472.33868	5.9
480.35019	0.2
493.64395	0.2
498.35651	0.8
526.34943	0.9
540.36414	0.9
554.37823	0.3
625.45349	33.8
626.45825	0.5
653.44885	13.0
654.46387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2975
Annotation	Haplophytine
Peak:m/z	Relative Intensity
64.57889	2.0
64.75394	2.1
66.98454	2.1
67.05498	3.2
67.46457	2.4
70.71992	4.8
70.72324	3.6
81.07051	2.7
93.07058	2.8
95.08606	2.5
96.96253	2.2
98.21447	2.3
105.07040	2.4
107.56153	2.0
123.53880	2.8
216.00218	2.2
391.19211	5.5
405.20926	8.9
406.21561	6.3
419.22641	3.0
420.23187	5.7
421.23932	8.1
433.20084	4.2
460.23187	3.2
465.22919	40.4
479.24542	7.1
503.24527	46.7
507.27625	3.8
534.93549	2.9
535.27148	40.6
551.26703	6.1
579.25970	36.0
590.83875	2.6
593.27899	3.1
594.28351	18.8
621.26807	23.8
628.23175	2.4
653.29742	100.0
653.51318	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66501	0.9
53.76596	0.9
54.09092	0.9
69.19563	10.1
74.76257	0.9
91.05536	1.0
93.07057	1.4
98.20679	2.0
98.21316	4.8
103.75584	0.9
109.10237	1.1
175.91492	1.0
207.09250	1.1
209.10814	1.2
210.11452	1.6
211.12225	1.4
221.10701	1.4
223.12335	2.4
225.13901	3.6
237.13857	3.4
249.10316	2.0
249.13840	1.3
277.09790	1.4
314.12848	1.4
337.11774	1.7
357.21078	1.2
401.18201	1.2
415.15268	1.8
416.15869	1.5
429.17014	2.9
430.18094	2.0
431.18594	3.1
443.18896	2.4
444.19727	1.7
445.20300	3.9
446.21014	3.3
447.21790	3.8
454.17322	1.7
457.17017	1.4
459.21747	4.3
472.18420	1.6
473.24289	1.4
475.21503	3.5
487.21423	10.4
488.21811	2.1
501.23050	4.7
515.20593	2.7
519.23871	3.9
529.22198	3.5
531.19861	1.3
533.25195	5.5
534.23071	1.2
547.23627	1.7
561.24994	82.4
562.25305	2.3
589.24640	5.9
621.27130	100.0
622.27356	3.1
637.31042	1.3
653.30548	2.0
653.41858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2829
Annotation	Saludimerine B
Peak:m/z	Relative Intensity
53.03941	0.9
53.23357	0.3
55.05515	3.3
57.07079	32.0
58.36027	0.3
63.31764	0.3
65.03945	12.2
65.04288	0.6
67.05502	0.9
67.15385	0.3
69.07067	0.8
69.26689	3.0
70.99581	0.7
71.05004	0.4
75.18048	0.3
79.05492	0.9
81.07049	0.4
83.04984	14.1
83.08086	0.3
83.08624	0.9
84.00356	0.4
87.02714	0.5
91.05486	9.3
93.07043	0.9
95.04991	0.7
95.08604	1.0
97.01125	1.2
98.98483	1.3
99.02685	100.0
104.06261	1.0
105.07040	6.2
107.05050	0.4
107.08597	1.2
109.06524	0.3
109.10154	0.4
114.96105	0.4
115.05474	1.5
117.07030	2.3
117.07741	0.3
119.08596	5.1
121.10105	0.7
129.07024	1.4
131.08589	1.1
132.08458	0.5
132.09367	3.3
132.60397	0.4
133.10144	2.6
141.07007	4.5
142.07800	3.7
145.10135	0.6
147.11699	33.8
151.01575	0.6
159.08054	1.8
161.13251	1.7
166.99316	2.0
169.07600	1.7
173.04247	2.2
175.01576	11.8
175.05788	1.4
178.99257	1.9
187.01625	0.6
189.16412	0.6
190.99460	0.5
194.30719	0.3
197.00343	9.8
197.13319	0.3
216.04298	0.5
219.00417	0.5
221.03648	0.8
227.04733	2.3
231.07832	0.5
237.01578	0.5
239.04672	4.0
243.02438	0.6
243.07899	1.0
254.98267	1.0
255.02455	3.3
273.03485	13.3
276.97018	1.2
295.10849	0.7
311.08673	0.7
329.09732	17.5
331.01431	0.7
353.00107	19.1
376.84415	0.3
385.16052	3.7
409.06369	11.9
429.03418	1.3
450.09219	0.6
465.12906	0.5
485.09521	5.6
541.15778	26.7
542.16248	0.5
597.22034	72.3
598.22253	1.3
653.28284	86.8
654.28687	1.2
666.81830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35755	0.7
65.03940	1.7
69.07053	1.0
70.06596	2.1
71.51743	1.3
71.99745	0.8
73.05215	0.9
77.87030	0.7
79.05499	1.4
81.07061	1.6
84.08153	1.2
84.91052	0.7
85.02876	0.7
86.09706	2.3
89.03939	1.3
91.04983	1.4
91.05489	16.6
91.06371	0.9
93.07047	6.1
95.04979	4.6
95.08604	1.3
99.69028	0.8
103.05461	6.0
105.07040	1.1
107.04963	2.2
107.08632	0.9
115.05444	4.3
117.03397	5.3
117.07024	1.6
119.04937	8.8
121.02906	1.2
121.06515	32.9
122.03645	2.3
131.08643	1.3
134.06093	1.2
135.04430	1.5
135.11739	0.9
137.05989	28.7
138.09187	5.1
143.04967	2.4
144.05635	0.8
145.02855	12.3
145.06479	2.6
147.04411	1.5
149.05988	4.3
151.03954	5.1
151.06439	1.5
151.07561	14.4
158.03557	1.1
160.05241	3.7
163.03896	0.9
164.07111	2.3
166.08669	3.6
167.07034	1.3
168.10193	1.2
172.06831	0.8
173.05997	3.6
174.06743	0.9
175.03951	1.8
175.07556	9.2
176.07066	3.0
177.05501	23.6
177.06932	1.6
186.03044	5.0
189.05540	1.0
192.06616	1.8
194.07129	1.3
201.05499	15.3
205.06503	10.4
206.07214	1.1
207.06447	1.9
207.08199	1.2
217.06541	1.2
218.08157	13.0
219.08177	1.1
220.05090	1.4
221.05998	3.5
222.06737	5.8
227.07040	1.2
233.06006	11.7
234.06747	3.7
235.07541	3.6
236.08350	0.9
237.05482	1.7
237.09111	6.8
239.07062	1.6
247.07381	3.9
248.04733	1.0
249.05521	3.1
250.06270	9.9
251.06981	2.7
254.05765	1.2
254.09482	1.3
261.05417	1.9
262.06210	1.5
263.07013	4.0
264.07715	5.2
265.04996	6.0
265.08609	15.9
266.09253	1.3
267.06491	1.5
268.07300	1.5
270.11472	1.3
275.07162	1.4
276.04114	2.3
277.05005	2.2
277.08295	0.9
278.05756	6.7
279.06665	1.2
279.10065	1.2
280.07239	4.7
281.07944	1.0
282.08884	2.2
283.09592	1.4
291.06540	3.4
292.07300	20.0
293.04462	7.2
293.08081	14.9
295.05988	2.6
295.09521	2.0
297.11322	2.3
300.12381	3.4
301.07379	0.8
304.03735	2.0
305.04391	1.5
307.09662	29.9
307.13174	1.7
308.06784	29.3
308.10315	1.6
309.07462	1.3
310.08289	2.7
316.06104	1.9
317.08060	1.8
319.05646	1.8
320.06650	1.6
321.03903	1.3
323.09143	23.0
325.10727	75.5
326.11188	1.1
334.07184	1.6
335.09152	5.7
336.06360	6.6
337.10043	1.4
339.12381	0.9
348.09122	1.3
349.10809	1.2
351.08658	100.0
352.11975	5.4
364.11896	1.8
366.09747	6.5
380.11285	15.9
392.11215	6.6
460.17484	3.0
462.19058	7.7
477.20142	2.5
486.09259	1.4
486.15576	18.0
488.17010	2.4
490.18631	8.0
492.19998	2.0
499.13953	1.1
516.16577	32.4
518.17773	1.3
653.24548	3.1
653.37268	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01860	2.0
55.05498	3.3
63.10942	1.5
67.05509	9.5
67.22601	1.5
69.03413	2.3
69.07056	2.6
70.06593	2.2
79.05496	5.9
81.07070	8.8
82.87075	1.4
85.02886	4.8
86.09693	1.6
91.05485	8.1
93.07045	12.8
95.04984	10.1
95.08620	13.1
97.06514	2.7
105.07042	8.7
107.08591	24.3
109.06538	2.2
109.10152	5.3
111.08097	2.5
117.07022	2.6
119.08600	7.9
121.06503	5.8
121.10159	5.3
123.08064	6.6
123.11716	2.3
125.09611	9.2
129.07013	2.4
131.08556	8.4
133.10161	8.8
135.07990	1.8
135.11717	5.6
137.06004	3.3
137.09584	2.2
143.08592	3.9
145.10118	13.4
147.08006	1.8
147.11734	2.6
149.13264	2.8
151.11188	45.9
153.12756	5.8
155.08635	1.6
157.10072	2.4
159.08028	1.8
159.11676	4.8
161.09650	4.5
161.13274	3.4
163.11166	2.6
164.69579	1.5
169.10083	1.9
171.11630	3.2
173.09628	3.6
173.13280	6.7
175.07542	1.5
175.11206	1.9
179.08539	2.0
181.10086	2.1
183.11713	2.7
187.11147	2.8
191.10751	1.9
191.14323	36.3
197.13251	1.9
201.12860	1.9
211.11266	2.0
215.14363	1.9
219.13783	4.5
225.12630	3.7
311.20163	2.6
319.18997	1.7
329.21170	6.1
347.22220	2.4
357.20657	4.3
431.26468	1.7
435.28778	4.5
453.29965	11.0
471.31079	100.0
472.31180	2.5
489.32098	31.5
531.86676	2.2
646.78870	1.6
651.23883	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01871	0.6
55.05510	6.5
56.05016	0.6
57.03426	1.2
65.03939	1.0
67.05506	3.0
67.24624	0.5
69.03436	2.2
69.07068	3.4
69.52417	3.0
70.06594	5.4
71.04978	0.8
72.08146	1.7
79.05494	7.4
81.03416	0.7
81.07051	5.1
83.04968	1.8
84.04493	1.3
84.08141	2.5
85.02894	1.4
86.09713	2.5
87.04491	0.5
91.05477	7.6
93.07043	6.5
95.04962	1.4
95.08598	4.2
97.02882	0.6
97.06549	1.1
97.10184	4.4
103.05428	0.5
105.07040	8.0
107.04960	0.7
107.08597	33.1
109.06511	2.3
109.10155	3.8
110.07145	1.3
111.08080	0.6
117.03304	0.5
117.07024	1.6
119.04950	0.7
119.06053	0.7
119.08588	4.6
120.08092	1.5
121.06517	1.5
121.10149	1.6
123.04396	0.7
123.08093	0.5
123.11707	1.9
125.09630	13.0
127.03873	0.5
128.06224	1.0
129.06999	1.6
129.10236	1.6
131.04929	0.9
131.08559	6.2
133.10129	3.2
135.04402	0.5
135.08083	0.9
135.11700	9.8
135.88881	0.4
136.07552	0.7
137.05968	3.0
137.09595	0.5
143.08588	4.5
145.02763	1.0
145.06505	0.9
145.10136	7.9
147.08034	1.2
147.11668	1.9
149.13213	0.5
151.03882	0.7
151.11191	9.0
153.12733	4.9
154.07689	0.4
155.08553	2.3
157.10104	1.7
159.08055	1.8
159.11691	2.3
161.09616	0.8
161.13251	0.9
163.03879	1.0
163.11168	0.7
165.07080	0.6
166.07758	0.7
167.07063	1.0
167.08521	1.0
168.09309	1.0
169.10106	2.0
171.08084	3.6
171.11708	2.4
173.09656	3.0
173.13281	5.0
175.07492	0.5
175.11185	0.8
177.05411	2.3
178.05711	0.8
178.07687	0.4
179.08592	1.3
181.10097	2.4
182.10887	0.9
183.11693	2.8
185.09601	0.9
185.13235	1.7
187.11212	0.8
189.09109	1.3
192.09387	0.5
193.10121	2.3
195.08119	0.6
195.11690	3.6
196.08797	0.6
197.09633	1.9
197.13252	3.1
199.11191	2.3
199.14894	0.8
201.12700	1.6
201.16313	0.8
205.10226	1.1
207.11642	1.8
208.08934	0.5
209.09583	1.2
209.13220	2.9
210.10414	0.8
210.14059	0.7
211.11230	1.3
211.14801	1.7
212.11996	0.6
213.12718	2.1
213.16331	1.0
215.14157	0.5
217.10133	0.8
219.11765	0.9
221.09549	0.9
221.13333	1.4
222.14012	0.6
223.11201	2.8
223.14859	1.2
225.12769	4.1
225.16400	0.7
227.14420	0.7
231.11584	0.6
232.12430	1.1
233.13393	0.8
235.11139	1.7
235.14818	1.7
235.17113	0.5
236.11931	0.8
237.12814	1.4
237.16425	3.0
237.86839	0.5
239.14369	2.1
241.15804	0.6
245.13243	0.7
247.14816	1.5
248.11884	0.7
249.16573	0.7
250.13541	1.9
251.14345	0.9
255.17416	1.2
263.14273	1.6
263.17816	0.5
265.15881	5.0
265.19614	0.8
267.17465	0.9
277.08554	0.5
281.15378	1.2
283.16931	16.4
293.18985	0.8
299.16437	5.7
301.17981	100.0
302.18643	3.1
303.19589	1.8
309.18518	0.6
311.20087	4.4
313.07108	0.5
313.18170	1.3
327.19623	2.2
328.20264	0.5
328.30801	0.5
329.21100	14.0
335.70239	0.4
338.18594	0.7
339.19556	2.3
340.19730	0.5
357.20651	6.1
358.20428	0.7
417.27899	1.9
435.28928	7.3
435.34198	0.7
453.29984	27.4
471.31070	8.9
493.45288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2816
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
52.66280	0.8
53.91918	0.9
54.02274	0.9
59.31324	0.9
67.05517	1.0
68.30470	0.9
70.21867	0.9
71.05170	1.0
71.05512	1.4
72.53764	0.9
73.37726	0.9
95.08605	1.4
97.66312	0.8
98.21201	1.1
147.01689	1.0
157.25558	0.8
159.41631	0.9
196.58759	0.9
262.94662	0.9
354.15744	1.1
392.19885	1.3
399.16122	1.4
400.16766	3.1
401.17841	2.7
403.19214	1.1
405.20813	1.3
407.22220	1.9
413.17657	3.6
414.18304	3.3
415.19449	8.5
416.20261	1.6
427.19464	1.7
428.19998	3.6
429.21371	6.4
430.21652	1.9
431.18665	1.3
435.21927	2.0
441.17108	1.2
443.18124	3.4
443.22778	3.3
444.19406	3.7
445.20187	2.4
455.18539	1.6
457.20459	5.9
458.21054	4.3
459.17697	1.6
471.22418	7.0
472.23190	5.3
473.19629	5.6
474.20386	1.7
485.19653	2.1
486.20685	6.3
487.21060	3.1
488.22308	1.8
489.23135	1.8
490.19785	1.7
499.21475	9.7
500.21902	1.5
502.19971	1.4
503.24469	4.2
514.19592	1.1
517.22339	4.7
521.25623	1.8
527.20660	2.9
531.24017	14.3
549.24963	5.5
559.23450	82.3
587.23102	14.3
619.25549	100.0
620.25903	2.7
651.17950	1.7
651.28162	22.4
651.44104	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	649.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01854	0.7
55.05513	6.9
57.07060	1.7
59.04984	1.1
63.39035	0.7
65.03942	0.8
67.05504	6.6
69.03428	12.1
69.07071	4.4
71.03301	1.4
71.04987	1.4
73.60712	0.7
79.05505	5.0
81.03400	3.0
81.07058	8.8
83.04980	7.4
83.08630	3.8
85.02901	2.4
85.06525	2.4
91.05484	4.8
93.07050	9.3
95.04948	2.2
95.08611	12.1
97.02893	1.4
97.06512	1.8
97.10177	6.0
99.04445	1.4
99.08102	7.3
105.07056	4.7
107.04955	0.8
107.08601	16.3
109.02907	1.1
109.06521	3.8
109.10156	8.3
111.04442	1.1
111.08092	5.5
113.06007	1.9
117.07063	1.2
119.08572	3.7
121.06516	1.9
121.10144	12.6
123.08078	3.1
123.11700	3.2
125.05991	2.4
125.09636	49.9
127.03918	1.0
127.07624	1.2
129.06964	0.8
131.08620	3.7
133.10120	5.9
135.08067	5.7
135.11674	2.7
137.09639	3.9
139.07547	3.4
139.11197	2.1
143.08679	0.7
145.04990	0.9
145.10208	1.7
147.11719	3.6
149.09627	56.5
149.13258	6.4
151.11205	13.0
153.09106	14.0
154.09900	2.1
157.10158	0.8
158.10831	1.0
159.11691	1.5
161.13289	0.8
163.14851	6.5
165.12746	2.9
171.11763	0.9
173.13289	5.8
191.14326	27.3
207.13715	0.9
208.14095	1.1
209.15379	100.0
227.16431	9.1
261.22208	0.8
341.24866	0.8
369.24304	0.9
383.36469	0.7
614.19635	0.8
649.45923	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	650.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
55.05509	0.8
56.05035	2.0
65.03960	0.8
67.05502	0.9
69.37537	4.9
70.02950	2.9
70.06597	6.5
71.04980	0.7
72.08146	2.3
76.04002	0.9
79.05493	1.4
83.06112	6.6
84.04510	22.7
84.08148	2.1
85.02914	1.7
85.04033	1.4
86.06051	0.7
86.09718	3.4
88.04001	12.2
91.05486	23.5
93.07030	1.0
95.04974	1.5
95.06097	0.7
97.02903	0.7
97.04012	2.6
101.07150	8.0
103.05472	2.0
104.04986	1.9
106.06556	11.8
108.04480	0.8
109.07648	1.1
110.07148	1.4
110.53844	0.7
111.05602	0.7
115.05467	2.4
115.98231	0.7
117.05772	0.9
117.06994	1.0
118.06550	15.4
120.08086	8.0
121.06496	1.1
121.08517	0.7
125.07124	6.7
125.18288	0.7
129.10248	1.5
130.06531	25.3
131.04861	1.5
131.08617	1.0
132.04475	0.8
132.08104	9.7
136.07550	3.3
137.05995	1.0
139.05040	2.8
142.06506	1.6
143.04532	5.6
143.07213	0.8
144.04474	2.0
144.08099	11.4
145.02867	1.9
145.06529	1.5
145.07613	2.1
146.06029	9.4
147.09113	0.8
151.86700	0.7
152.08270	0.9
153.06590	5.4
154.06497	1.2
155.08186	1.9
156.04437	1.0
156.06821	1.0
156.08023	1.3
157.07603	0.8
158.06029	3.9
158.08377	3.8
159.09181	11.2
162.05504	0.8
163.03880	1.5
167.07082	1.5
169.07623	9.6
170.06009	6.8
171.09134	1.2
172.07585	3.8
173.07117	6.4
174.05490	2.4
176.07086	2.3
177.05447	2.9
181.07603	1.1
183.09261	1.3
185.05750	0.9
185.07149	6.4
187.08641	4.3
194.09785	0.9
197.07114	1.6
198.05495	2.3
199.07037	0.9
199.08702	1.3
200.07140	4.1
201.06607	4.2
203.08371	1.1
204.06503	2.6
204.08130	6.9
205.08859	1.2
206.09679	3.0
215.08246	3.2
217.08968	1.5
218.09657	29.4
219.10435	12.5
220.11221	24.3
221.10922	2.4
223.08791	1.5
225.10251	6.1
230.09657	56.0
231.10390	3.1
232.11394	4.5
233.09125	5.2
235.10808	1.9
236.08205	1.1
237.10257	1.0
242.09673	1.1
243.07634	0.9
243.10606	0.8
244.06001	2.2
244.11267	1.6
245.09163	4.3
245.11005	3.1
247.12334	100.0
248.12689	0.8
249.13910	1.9
252.11353	3.0
253.09756	1.7
257.08405	1.4
257.10797	2.5
258.09164	13.4
258.11569	1.7
259.09851	1.5
259.12296	8.9
260.10855	2.6
261.08572	15.3
261.13763	1.2
262.11911	2.6
269.10782	3.4
269.13721	1.3
270.09589	1.0
270.12402	8.1
271.08768	0.7
271.12198	1.8
275.11859	4.3
276.10229	1.6
277.60352	0.8
278.11615	1.5
280.10812	2.7
283.12167	0.9
285.10184	1.5
286.13571	2.9
287.11832	8.4
296.10275	1.0
297.10162	2.8
297.13266	1.0
298.11938	9.0
299.11838	0.9
311.11771	0.8
312.11252	1.7
313.12943	1.1
314.12924	2.8
315.14514	0.9
324.11252	2.8
326.12857	1.0
333.12338	26.2
333.16180	1.6
341.14008	3.7
342.12332	0.7
343.04385	1.1
345.06049	1.3
348.11240	0.9
350.15009	43.7
353.12860	0.7
357.17050	1.4
358.11850	1.8
358.15579	2.7
360.13470	2.3
366.12350	1.3
372.08090	0.7
372.13351	2.0
373.14993	2.8
374.15009	1.2
383.14966	1.2
384.13257	2.2
386.15109	1.6
387.18094	0.8
389.14551	6.2
390.14322	1.6
397.16605	1.1
398.14944	0.9
400.04584	1.2
401.16104	21.7
402.06406	2.3
403.17752	0.9
412.12827	0.9
415.17630	1.7
418.05814	2.0
419.17200	1.2
425.16125	1.2
443.17075	2.1
446.05399	1.0
460.19754	4.9
461.18225	23.0
469.40759	0.8
470.17841	0.9
478.20859	4.5
487.16013	1.3
494.18378	1.6
500.19238	2.1
502.20715	1.0
503.07529	6.5
504.18723	8.5
512.19403	8.3
518.20288	1.7
522.19073	1.3
528.19183	1.4
529.22089	2.3
530.20422	7.6
535.23157	1.3
539.22223	2.4
540.18805	8.9
541.18213	0.9
545.21326	3.2
546.19513	1.5
547.22998	9.5
553.23859	0.8
557.21173	2.2
558.20099	4.8
575.09625	2.5
575.22540	8.6
597.20825	2.1
615.12067	1.4
615.21942	19.5
616.20819	1.4
617.21771	0.7
632.24426	6.5
633.23041	7.8
650.25940	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	649.3951
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
53.03941	0.7
55.05515	3.8
57.03444	1.0
57.07076	1.5
65.03944	0.5
69.03432	1.2
69.07072	6.7
69.81785	2.5
71.01364	2.8
73.02926	4.5
77.72646	0.5
79.05492	5.0
80.17875	0.4
81.07062	14.5
83.08617	3.3
85.02909	12.8
85.06534	0.5
88.40492	0.5
91.05490	6.4
93.07051	14.4
93.07642	0.9
95.01357	1.3
95.04967	1.2
95.08617	23.0
97.02901	0.7
97.06548	0.6
97.10186	1.9
99.00841	0.7
101.02415	1.2
103.03941	1.0
105.07038	13.8
107.08603	23.1
109.06536	1.8
109.10164	12.5
111.08088	1.1
111.11778	0.8
113.02371	6.0
115.05544	0.5
117.07030	2.7
119.08592	23.1
121.06500	0.7
121.10151	15.3
123.08081	4.8
123.11703	6.8
125.09659	0.8
129.07021	0.9
131.03410	2.6
131.08586	8.2
133.10146	17.5
135.08098	1.5
135.11713	14.7
137.09641	0.8
137.13275	3.1
141.01855	3.3
143.08595	2.0
144.09361	0.8
145.10143	12.5
147.11694	16.7
149.09642	0.9
149.13254	8.7
150.23816	0.6
151.11244	1.1
157.10153	3.6
159.02942	2.2
159.11697	9.9
161.13264	9.4
163.11264	0.9
163.14819	6.1
169.10118	0.6
171.11633	3.0
173.13280	7.2
175.11301	0.9
175.14839	8.6
177.12721	0.9
177.16393	6.4
179.10760	0.8
179.14374	0.8
183.11717	0.7
185.13249	3.0
187.11075	0.6
187.14832	11.2
189.16394	35.6
191.10663	0.9
191.17963	8.8
193.12288	0.6
193.16006	0.8
197.13342	0.7
199.14854	3.3
201.16394	29.4
202.16966	0.5
203.14539	1.1
203.17960	15.3
203.19762	0.9
205.15886	9.8
205.19571	1.5
207.17455	3.5
211.14850	0.9
212.15547	0.5
213.16402	2.7
215.17979	6.8
217.16093	0.6
217.19566	2.2
219.17496	2.1
221.15430	1.1
221.19083	1.0
225.16409	0.6
227.17989	1.8
228.23166	0.7
229.15950	0.8
229.19525	3.8
233.15463	0.8
235.17032	0.9
237.16533	0.6
239.17973	0.9
241.19528	2.9
243.21068	3.1
245.15997	0.5
247.16968	11.2
249.18449	0.8
251.16373	1.0
253.19647	1.1
255.21133	7.3
256.26563	0.8
257.22705	2.4
261.18613	0.5
267.21167	1.3
269.22675	2.6
273.22348	0.8
273.52292	0.5
275.20148	1.0
281.22607	0.8
287.20203	0.7
289.21814	0.7
301.21658	4.1
303.23389	0.7
315.23123	2.8
315.26321	0.5
327.23306	0.6
341.25018	0.9
349.29041	0.9
383.20609	2.2
391.33652	5.4
409.34723	5.4
419.33206	0.7
437.34183	20.6
455.35278	1.8
507.29587	1.8
533.31311	2.7
545.40167	0.5
585.37616	1.6
603.38947	100.0
604.39313	1.9
631.37903	1.1
649.40240	0.9
649.51672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01884	0.7
55.05519	4.8
55.72025	0.5
57.03435	1.1
57.07063	1.1
67.05184	0.6
67.05507	6.0
69.03430	3.6
69.07072	3.6
70.21439	1.8
71.04990	1.8
71.97649	0.5
79.05498	4.8
81.03408	2.9
81.07065	8.0
83.01350	3.6
83.04984	3.7
83.08619	2.9
85.02938	1.2
85.06540	2.7
91.05479	3.4
93.07050	7.9
95.04978	4.4
95.08614	6.9
97.02883	1.4
97.06528	3.7
97.10182	0.8
99.04453	2.5
99.08100	15.6
101.06020	5.1
105.07030	5.1
107.08601	10.6
109.02875	1.2
109.06544	3.5
109.10161	7.4
111.08073	2.9
117.07032	1.1
119.08575	3.4
121.10142	14.1
123.08073	1.7
123.11703	2.0
123.12558	0.6
125.06001	0.7
125.09649	6.2
127.03967	0.7
129.06952	0.8
131.08563	3.8
133.10138	13.8
135.08083	3.4
135.11703	3.4
137.09602	4.4
137.13246	1.9
139.07559	4.8
139.11163	3.7
143.08530	1.1
145.10132	2.3
147.08061	0.7
147.11658	2.3
149.08417	0.9
149.09619	16.8
149.13269	4.2
150.09888	0.5
151.11221	6.7
153.09113	5.5
155.08469	0.6
155.10660	0.9
158.10860	0.6
159.11713	1.3
161.13261	1.3
163.11206	0.8
163.14841	4.6
165.12767	0.7
167.10736	0.6
169.12236	0.8
172.67558	0.5
173.13275	7.3
181.03792	0.5
181.15857	3.6
191.14307	15.8
209.15373	100.0
210.15787	0.6
227.16428	17.1
233.38715	0.6
261.22107	0.7
290.29413	0.6
330.59070	0.6
369.24155	1.1
405.25638	0.6
649.46088	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	649.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01863	1.4
55.05526	2.0
57.03436	3.2
59.05010	0.7
61.02930	3.5
65.03941	0.5
67.05180	0.4
67.05507	6.6
67.61376	0.3
69.03433	10.5
69.07059	1.3
69.43439	2.1
70.06588	1.3
71.01328	0.4
71.04991	1.4
72.08170	0.5
73.02910	0.9
77.55464	0.3
79.05495	4.0
81.03422	5.6
81.07056	12.9
83.01365	0.4
83.04961	0.4
83.08620	0.8
84.08124	0.8
85.02906	23.2
86.09695	0.5
87.04461	1.5
88.86543	0.3
89.03931	0.4
90.51014	0.4
91.03959	1.7
91.05088	0.3
91.05492	3.4
93.06493	0.4
93.07048	6.5
95.04957	1.3
95.08612	22.5
97.02299	0.6
97.02895	8.7
97.06535	5.3
99.04455	1.9
105.07035	6.7
107.04942	0.5
107.08595	3.8
109.02878	2.5
109.06491	1.5
109.10158	2.1
111.08093	3.7
113.06036	0.4
117.03384	1.4
117.07019	1.2
118.03683	0.6
118.66214	0.3
119.04929	0.4
119.08559	1.3
120.08086	0.7
120.17213	0.3
121.06519	1.9
121.10146	2.0
123.08073	26.9
123.11673	0.4
125.09652	2.2
127.03929	4.7
128.06189	0.5
129.06995	1.0
131.08559	3.4
133.06509	0.4
133.10136	3.8
135.08037	0.6
137.05959	1.0
137.09598	0.6
139.07529	1.0
141.06924	0.6
141.09099	4.8
142.07758	0.7
143.08562	2.8
145.02866	2.8
145.04970	3.3
145.06129	0.4
145.06497	0.4
145.10123	3.4
146.03174	0.9
147.08031	0.8
147.11681	0.9
149.06004	0.4
149.09644	2.2
151.11180	8.4
155.08546	2.5
156.09363	0.5
157.10109	1.5
159.08043	0.9
159.11639	1.1
161.09494	0.4
165.07010	0.9
167.08583	1.1
167.10670	4.3
168.09300	0.8
169.10136	2.0
169.12227	1.3
171.08099	2.5
171.11652	1.2
173.09653	3.4
173.13301	0.9
175.11165	0.6
177.05469	4.8
178.05779	2.4
179.08612	1.1
180.09279	0.7
181.10110	2.0
182.10873	0.9
183.11684	1.9
185.09656	1.0
185.11607	0.5
185.13266	1.1
187.11267	0.5
189.09103	0.8
191.10703	1.0
192.09300	0.5
193.10161	3.0
195.08060	1.1
195.11682	3.8
196.08910	0.4
196.12566	0.5
197.09615	1.4
197.13292	2.6
198.10431	0.4
199.11169	1.5
199.14737	0.4
201.12740	0.7
205.10147	1.2
206.10963	0.5
207.11684	1.7
209.09654	1.3
209.13257	1.8
211.11203	1.4
211.14850	1.2
212.11929	0.4
213.12740	1.8
213.16299	0.4
217.10199	0.6
219.11639	1.0
220.12393	0.4
221.09688	0.7
221.13336	1.9
221.15160	0.5
222.14012	0.7
223.11160	3.5
223.14844	1.3
224.11963	0.4
225.12737	3.8
226.13373	0.4
227.14323	0.8
231.11557	0.4
232.12453	1.0
233.13251	1.0
235.11197	1.7
235.14798	2.4
236.11989	1.1
237.12726	1.4
237.16405	2.6
239.14381	2.2
245.13213	0.9
247.14810	1.4
249.16583	0.4
250.13533	2.5
251.14346	0.7
252.14949	0.4
253.15958	1.0
255.17514	0.9
259.14844	0.4
261.16345	1.0
263.14392	1.5
263.17319	0.4
265.15878	5.1
267.17444	0.6
281.15384	0.8
283.13788	0.7
283.16956	15.3
285.18420	0.7
291.17444	0.5
293.19037	0.9
299.16425	5.0
301.17984	100.0
302.18536	1.9
303.19626	2.3
305.18948	0.4
309.18600	0.4
311.20184	2.1
313.18079	0.5
317.19046	0.4
319.20557	0.4
327.20166	0.5
329.21075	2.8
331.22708	0.4
335.20016	1.3
338.18710	0.5
339.19547	0.6
340.86664	0.3
347.22256	0.6
353.21201	2.0
354.21912	0.5
357.20663	0.5
371.22153	3.3
375.22879	0.4
380.32089	0.4
393.24207	0.7
400.41043	0.4
409.27255	0.4
415.26251	1.3
433.27408	4.6
451.28452	26.5
452.29019	0.6
469.22763	0.7
469.29535	16.3
487.30557	27.5
488.31332	0.6
619.39746	0.4
631.33563	0.4
649.26007	0.4
649.35992	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	649.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01869	1.8
55.05509	4.2
57.03434	3.6
59.04990	0.8
61.02919	3.2
65.03946	0.7
67.05180	1.0
67.05510	12.4
69.03432	8.5
69.07057	2.4
69.57063	5.0
70.06602	6.0
71.04987	1.9
72.08139	2.2
72.70244	0.8
79.05485	4.0
81.03418	5.0
81.07064	7.0
83.04967	1.6
83.08615	1.0
84.08134	3.3
84.19590	0.8
85.02911	23.3
86.09692	1.9
87.04452	1.4
91.03973	0.9
91.05495	6.1
93.07042	8.5
95.04961	2.8
95.08613	34.0
96.05487	0.6
97.02898	10.6
97.06520	4.5
97.10144	1.0
98.21462	0.8
99.04440	2.5
100.11269	1.0
105.07037	6.5
107.04962	1.9
107.08579	5.1
107.90534	0.8
109.02874	4.0
109.06528	8.9
109.07713	0.7
109.10162	5.9
110.07236	1.0
111.07368	1.2
111.08086	13.0
117.06998	2.4
119.04942	1.1
119.08591	3.3
120.08080	1.5
121.06507	2.6
121.10165	3.0
123.04533	1.0
123.08076	27.1
123.11688	2.8
125.09653	2.3
127.03936	5.3
128.06271	1.3
129.07002	0.9
129.10234	1.1
131.08586	4.6
133.10129	3.9
135.04417	0.7
135.08095	1.2
135.11678	1.9
137.05972	3.4
137.09541	1.2
139.07559	4.1
139.11230	0.9
141.06871	0.8
141.09109	13.8
143.08575	3.2
144.05682	0.7
145.02847	1.7
145.04895	3.6
145.10124	5.3
147.07922	0.8
147.11685	1.9
149.08563	1.1
149.09630	9.9
151.11206	12.2
155.08543	3.0
157.10124	2.1
159.08009	1.7
159.11682	1.1
161.09624	1.5
165.07051	1.1
167.07037	4.5
167.08549	1.7
167.10678	9.0
169.10123	3.2
169.12247	1.9
171.08073	4.0
171.11668	1.9
173.09651	4.6
173.13300	2.1
175.11227	0.9
177.05487	3.1
179.08598	0.9
180.09314	0.9
181.06514	0.8
181.10040	2.3
182.10945	1.4
183.11679	3.7
185.09601	1.4
185.13269	1.7
187.11201	1.3
189.08975	0.8
191.10661	1.1
193.10109	3.1
195.08049	0.9
195.11734	2.3
196.12572	0.9
197.09637	1.8
197.13277	3.1
199.11104	1.7
199.14906	1.4
205.10236	1.0
207.11732	2.2
209.09654	1.5
209.13257	3.1
211.11238	1.1
211.14896	2.1
212.11938	0.9
213.12773	3.0
219.11696	1.0
221.09500	0.9
221.13420	0.9
223.11186	2.4
223.14856	1.1
225.12779	4.6
227.14310	0.9
232.12485	1.1
235.11217	1.4
235.14865	3.6
237.12717	1.6
237.16486	3.5
239.14349	2.8
245.13234	0.9
247.14780	1.7
249.12665	1.4
250.13612	2.3
251.14006	1.1
253.15968	1.4
255.17458	1.5
263.14301	2.1
265.15967	5.0
267.17404	1.5
277.16125	0.8
277.19324	0.8
281.15393	2.0
283.16965	15.2
285.18643	1.3
291.17371	0.9
291.58487	0.7
293.19080	1.0
299.16415	10.1
301.17996	100.0
302.18491	2.8
303.19720	4.7
309.18381	1.1
311.20135	2.3
313.18137	1.2
315.08704	1.4
323.20126	1.4
327.19702	1.0
329.21161	4.0
330.11072	0.7
331.11612	1.1
331.22623	2.0
338.18982	0.8
345.20789	1.8
353.20975	2.7
359.23450	3.5
371.22406	0.9
383.14890	1.1
385.16333	0.8
391.26526	1.8
407.25598	1.6
409.27438	4.9
415.26266	1.3
427.28571	1.4
433.27347	9.8
439.28433	1.3
451.28494	48.1
452.29013	1.3
469.29593	21.9
487.30624	14.6
649.24811	1.0
649.35565	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68376	0.4
51.49963	0.3
53.03946	2.0
55.01859	0.5
55.05519	3.7
57.03403	0.9
57.07056	0.6
63.34309	0.4
65.03913	0.9
67.05511	7.8
69.03402	1.7
69.07072	2.6
69.38868	2.8
70.06580	0.3
71.04995	0.6
77.03899	0.5
79.05495	4.1
81.03424	12.1
81.07059	8.7
81.19535	0.3
83.04945	1.0
83.08623	3.8
84.08112	0.5
85.02917	2.9
85.06545	0.6
91.05006	0.4
91.05484	5.6
93.07049	8.4
95.04982	5.1
95.08617	13.0
97.02867	1.4
97.06529	3.8
98.21487	0.8
103.05377	0.4
105.07038	7.6
107.04937	1.7
107.07992	0.4
107.08606	5.9
108.05727	1.0
109.02862	0.5
109.06538	2.9
109.10159	4.7
111.08067	3.2
115.05426	0.9
117.07036	2.1
119.04932	1.1
119.08599	3.8
121.06514	2.8
121.10167	3.9
123.04437	0.5
123.08074	27.4
123.11730	2.2
125.05990	0.6
125.09595	1.7
127.03905	0.7
128.06223	1.2
129.06956	1.8
130.07774	0.7
131.08588	5.5
133.06485	0.6
133.10144	6.5
135.08037	1.1
135.11604	0.8
137.05969	2.0
137.09589	0.9
137.39981	0.4
141.06989	0.9
141.09142	1.0
142.07800	0.7
143.08554	5.7
145.02818	0.7
145.06506	0.5
145.10135	5.7
147.07991	1.7
147.11696	1.8
149.09630	12.0
150.10306	0.7
151.11201	2.7
155.08562	2.6
156.09329	1.0
157.06508	0.8
157.10121	2.7
158.10863	0.5
159.08064	2.5
159.11705	1.9
161.09666	1.9
163.11227	0.6
165.06963	1.0
167.08542	1.4
167.10696	7.2
169.10138	2.7
169.12274	0.9
171.08055	4.3
171.11652	2.6
173.09650	5.6
173.13246	3.0
173.82339	0.5
175.11200	1.9
175.14740	0.6
177.05455	0.7
179.08524	1.0
180.09300	0.6
181.04889	0.5
181.10098	2.5
182.10889	1.4
183.08049	0.8
183.11688	3.1
185.09615	1.5
185.13260	2.7
187.11200	1.1
187.14861	0.5
189.09029	1.1
189.12814	0.7
191.08678	0.4
191.10684	1.4
192.09337	0.5
193.10107	2.3
194.10895	0.9
195.08026	1.2
195.11717	3.6
196.08754	0.4
196.12427	0.8
197.09581	1.7
197.13278	2.2
198.10432	0.6
198.14098	0.5
199.11220	2.4
199.14789	1.7
201.05339	0.4
201.12698	1.2
201.16475	0.4
203.14247	0.7
205.10094	1.2
207.11688	1.8
209.09627	0.7
209.13335	2.1
210.10469	0.5
210.13992	0.9
211.11206	2.3
211.14807	1.7
213.12766	3.9
215.14259	1.0
217.10095	0.8
218.11067	0.6
219.11711	1.0
220.12573	0.6
221.09647	0.7
221.13477	1.9
221.15285	0.6
222.13945	0.9
223.11201	2.8
223.14803	1.7
224.11969	0.5
225.09238	0.5
225.12755	5.5
225.16318	0.5
226.13518	0.5
227.14288	1.4
231.11729	0.5
231.13745	0.9
232.12512	0.8
233.13155	1.1
235.11128	1.0
235.14825	2.7
236.11908	1.1
237.12717	1.2
237.16400	3.8
239.14287	2.4
241.15799	0.5
245.13225	0.9
247.14850	1.6
248.12047	0.5
249.12526	0.9
249.14705	0.8
250.13567	1.8
251.14310	1.1
251.18066	0.6
253.15900	1.7
255.17372	2.6
263.14252	1.8
263.18329	0.5
265.15891	4.5
268.14484	0.6
273.18491	1.0
275.17969	0.5
281.15561	2.2
283.16968	15.0
284.17505	0.6
285.18500	1.1
291.17563	0.5
293.19016	0.7
295.20560	0.6
299.16403	6.8
301.18002	100.0
302.18619	5.4
303.19592	3.2
303.37048	0.4
307.17010	0.4
309.18759	0.6
311.20117	2.0
313.18405	1.8
313.21399	0.5
325.18063	0.7
327.19699	2.1
328.20465	0.7
329.17474	0.7
329.21146	6.4
331.22794	1.3
339.19659	1.4
357.20697	1.4
375.10712	0.9
381.19971	0.4
393.24161	1.1
407.25909	1.3
415.26172	2.1
423.28998	0.9
425.27274	0.5
433.27435	6.9
451.28473	31.6
452.28815	0.9
469.29553	59.3
470.29779	1.0
487.30661	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	648.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85785	0.1
51.02394	0.1
62.01585	0.1
63.02361	0.6
68.78878	0.1
69.03427	0.3
69.38603	0.4
69.39029	0.4
70.06596	0.2
70.45107	0.1
70.65667	0.1
72.08163	0.2
77.03963	0.2
78.04725	0.4
79.05515	0.1
81.03423	0.4
85.02910	0.1
86.06070	3.1
86.09725	0.2
87.04460	0.2
89.03920	9.0
91.05495	0.7
93.07028	0.2
97.02878	0.2
100.44011	0.1
101.06005	0.1
103.05470	0.4
104.07067	0.1
105.03396	0.2
106.04177	0.5
107.04930	0.1
111.04441	0.3
116.21603	0.1
117.03384	23.8
118.03743	0.2
119.04962	0.1
119.82058	0.1
120.08127	0.1
121.06513	0.2
124.05139	0.1
129.04462	0.1
129.05438	0.1
134.03645	1.6
135.04437	1.0
145.02850	55.3
146.03215	0.3
147.04414	0.2
147.08089	0.2
148.70650	0.1
149.05986	7.7
158.06030	0.4
162.03152	0.3
163.03902	0.5
167.07123	0.2
175.06061	0.2
175.07581	0.2
177.05475	100.0
178.05792	0.7
181.04945	0.7
186.05481	1.4
188.96973	0.1
193.07117	0.1
235.09662	0.7
260.11243	0.4
262.10858	0.2
278.12387	1.7
280.11847	0.5
304.85788	0.1
309.22656	0.1
311.08948	0.2
351.10608	0.4
353.10358	0.2
369.11850	0.5
406.87051	0.1
436.16046	0.3
454.17102	7.7
472.18201	1.0
518.08728	0.1
630.22009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77197	0.3
55.05502	1.6
57.03436	0.4
57.07074	0.5
59.23117	0.3
62.44013	0.3
64.20261	0.3
65.03925	0.4
65.97874	0.3
67.05508	2.4
69.03417	0.9
69.07077	3.0
70.06604	0.4
71.01342	0.7
71.51833	0.6
73.02927	1.8
73.20618	0.4
75.04452	0.4
79.05484	1.7
81.07057	5.7
83.04995	1.0
83.08624	1.0
85.02902	4.2
86.09692	0.4
91.05490	2.3
92.57047	0.3
93.07053	4.7
95.01311	0.4
95.04932	0.5
95.08616	10.9
97.10169	0.8
105.07040	5.9
107.04959	0.6
107.08600	8.2
109.06556	0.7
109.10164	4.3
111.11694	0.6
113.02356	2.0
117.07078	0.4
119.08585	7.7
119.09380	0.7
121.06511	1.3
121.09322	0.7
121.10136	5.8
121.10934	0.5
123.08057	1.0
123.11723	2.7
125.09674	0.4
129.07027	0.9
131.03407	1.1
131.08600	2.1
133.10146	4.8
135.08054	1.0
135.11697	3.6
137.13240	1.0
141.01807	0.3
143.08543	1.4
145.10126	3.1
147.08067	0.8
147.11700	2.8
149.09679	0.5
149.13260	4.6
155.08580	0.5
157.10146	1.8
159.11694	2.5
161.09651	1.6
161.13264	2.2
163.11180	0.6
163.14851	2.2
165.54893	0.3
169.10135	0.6
170.28207	0.3
171.11682	2.0
173.09604	0.4
173.13271	2.8
175.11205	0.6
175.14815	5.3
177.16400	2.1
183.11676	1.1
185.13295	1.2
187.11238	0.4
187.14836	3.5
189.16397	6.6
191.17947	1.2
195.11731	0.4
197.13298	1.4
199.14798	2.5
201.12715	0.5
201.16391	2.4
203.14513	0.4
211.14825	0.8
213.16411	1.7
215.14330	1.3
215.17989	0.9
217.15915	4.8
219.17508	1.1
221.13469	0.6
223.14922	0.6
225.16373	0.8
227.17874	1.7
229.19562	0.8
231.17508	0.7
233.15331	0.5
233.19067	0.5
235.16983	1.0
237.16357	1.1
239.17960	0.7
241.19574	1.6
243.17419	0.9
243.21210	0.6
245.19031	0.6
251.18044	0.4
253.19662	0.6
257.19083	0.9
267.21060	0.9
271.20593	0.9
279.21097	0.5
289.18124	0.9
293.22723	0.9
297.22244	0.6
305.22421	0.4
311.23547	0.9
319.24341	0.4
323.23596	0.4
339.23187	1.6
343.22855	0.5
351.23111	0.7
355.22876	0.5
357.24329	1.3
374.83606	0.4
383.25989	0.6
389.32202	2.5
407.33066	9.5
425.34448	0.6
435.32565	4.6
453.33664	100.0
454.28391	0.4
454.33929	2.1
471.34674	2.4
647.38287	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	647.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.8
57.07074	0.7
59.45348	0.5
67.05497	2.3
69.07081	3.4
71.01351	0.8
71.51682	1.2
73.02906	1.1
79.05494	2.0
81.07065	5.6
83.04980	0.8
83.08614	1.0
85.02910	4.3
86.09750	0.7
91.05478	2.1
93.07056	5.0
95.04959	0.7
95.08615	13.1
97.02838	0.6
99.73911	0.5
105.07028	7.5
107.04958	0.7
107.08611	9.0
109.06510	1.1
109.10151	4.3
111.08126	0.7
113.02361	2.0
119.08587	9.9
121.06492	1.2
121.10147	5.6
123.08072	1.1
123.11702	2.5
131.03429	0.7
131.08554	1.7
133.10153	5.2
135.08054	1.1
135.11687	4.5
137.13321	0.8
141.01791	1.2
143.08554	1.4
145.10072	3.3
147.07994	0.7
147.11728	3.2
149.09645	0.8
149.13242	4.0
153.09077	0.7
155.08681	0.8
157.10110	2.6
159.11703	2.1
161.09711	1.5
161.13258	2.2
163.11198	0.9
163.14833	1.8
171.11713	1.4
173.13278	2.7
175.11269	1.1
175.14818	6.4
177.05472	0.9
177.16396	1.6
183.11623	1.1
185.13164	1.1
187.11365	0.8
187.14827	3.1
189.12770	0.6
189.16409	8.5
191.17944	2.1
197.13268	1.4
199.13210	0.6
199.14784	3.2
201.16418	2.6
203.17935	0.9
213.16394	1.4
215.14322	1.9
215.17976	1.7
217.15866	5.8
219.17401	1.0
225.16447	0.7
227.17947	1.6
235.17014	1.5
239.18018	1.0
241.19550	2.3
253.19640	1.3
265.19690	0.7
271.20609	1.8
285.22070	0.8
289.17935	0.8
293.22678	1.3
297.21899	0.8
311.23666	1.6
317.20746	0.7
339.23074	1.1
351.23047	0.7
357.24213	1.3
389.32117	3.0
407.33139	9.6
435.32617	5.0
453.33661	100.0
454.34192	1.9
471.34937	2.5
515.77765	0.7
647.38245	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	644.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
55.05519	4.9
57.03426	1.0
57.07079	20.6
67.05179	1.4
67.05511	14.7
69.03429	11.8
69.07067	5.5
70.89337	0.8
71.04997	7.0
71.08634	15.8
71.52577	1.2
73.02894	1.1
76.72932	1.0
79.05492	7.4
81.03416	15.3
81.07055	10.3
83.04995	2.6
83.08626	5.4
85.02905	11.2
85.06545	39.0
85.10181	7.4
89.06038	2.2
91.05483	5.2
93.07047	6.9
95.04967	2.0
95.08615	14.0
95.76836	0.9
97.02901	13.0
97.06545	1.7
97.10178	2.5
99.04452	3.5
99.08092	2.2
105.07049	4.5
107.04967	3.6
107.08599	9.5
108.11411	1.0
109.02879	8.8
109.06531	1.8
109.10165	5.3
111.04449	4.7
111.11735	1.3
117.07023	1.8
119.08614	5.7
121.06496	6.0
121.10146	7.0
123.04506	1.2
123.08066	1.5
123.11691	3.5
125.05972	1.9
127.03914	15.7
129.06993	2.4
131.08577	27.3
133.08553	1.5
133.10211	1.4
135.04306	0.9
135.11696	2.7
137.05972	1.0
137.09630	1.6
145.04950	4.6
145.10109	13.8
147.08055	2.0
147.11694	1.9
149.06027	1.5
149.09631	22.3
150.10074	0.9
153.05449	1.3
163.07535	2.1
163.11174	9.9
165.09135	4.0
167.07109	1.0
167.10712	12.9
173.09604	2.3
179.10701	0.9
191.10683	35.2
197.11768	1.2
197.86331	1.0
209.11740	52.7
227.12788	100.0
227.84103	1.2
239.23712	9.3
257.24911	1.4
365.26703	1.3
383.27908	9.9
401.29022	14.9
430.03104	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
56.96569	0.4
58.29695	0.4
69.03415	0.8
69.30708	2.0
69.31115	1.1
70.06602	3.0
72.08137	1.7
73.51503	0.4
79.05492	0.8
81.03449	0.5
81.07079	0.6
84.04495	0.8
84.08144	1.7
85.02915	1.8
85.12981	0.4
86.09696	1.7
88.31860	0.4
91.05476	0.9
93.07036	0.6
95.04942	0.5
97.02909	0.5
97.06522	0.6
103.05492	0.5
105.06999	2.1
116.10831	0.3
117.03317	0.4
119.08571	0.4
120.08086	0.7
121.06495	0.9
125.05981	0.5
127.03914	0.4
129.10268	0.9
136.07524	0.5
137.05991	0.7
145.02861	1.1
145.06476	0.6
145.10152	0.7
147.04343	0.4
151.03946	0.4
161.03000	0.6
163.03853	0.7
166.08629	0.5
167.07053	2.6
168.07439	0.7
172.23341	0.4
177.05481	2.2
181.05035	1.4
187.11073	0.6
203.05331	1.5
205.08685	0.4
205.10709	0.4
215.05312	1.9
223.11844	0.6
233.06339	8.2
233.08411	0.6
267.10779	0.8
273.10507	0.8
281.12561	0.4
291.12134	1.9
303.10809	0.8
319.38660	0.4
321.11951	0.6
327.15659	0.9
333.12085	0.7
366.12823	1.0
389.15717	2.1
403.17236	0.5
405.14029	0.5
414.50943	0.4
421.18286	4.2
435.16101	0.5
447.15213	1.1
453.16895	1.6
465.16635	1.9
483.18390	7.3
489.15726	0.7
551.21173	1.1
627.21533	3.9
645.23657	100.0
646.24213	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03714	0.7
53.33195	0.6
65.03925	1.0
67.05515	1.5
69.83148	3.5
70.06581	1.8
71.51852	0.6
72.08173	0.8
75.01038	0.7
79.05505	0.9
81.03427	0.8
82.06576	0.9
84.08164	0.9
85.02821	0.7
86.09694	1.1
89.03908	0.8
91.05486	2.6
92.04988	1.2
93.05814	1.1
93.07040	2.5
94.06587	4.8
95.04945	0.8
95.07352	1.7
95.08605	1.2
96.08138	5.7
97.06500	0.9
98.21409	0.9
105.07052	0.7
106.06557	1.6
108.04478	2.1
108.08115	7.9
110.09686	6.8
116.04977	2.4
118.06615	0.8
120.04470	3.0
120.08116	7.6
121.06528	3.7
122.06007	4.2
124.07584	5.3
133.02863	0.7
134.06036	2.9
136.07594	7.0
137.05988	1.1
138.09166	8.4
144.04460	5.2
145.02849	1.2
145.05194	0.6
146.06036	5.3
148.07588	2.8
152.07077	1.5
160.03935	3.5
162.05504	4.3
164.07091	2.4
166.08653	8.8
167.07149	2.0
172.03935	22.7
172.05475	1.2
172.07466	0.8
174.05522	1.4
176.07108	2.3
177.05479	1.9
181.04944	1.7
186.09264	0.8
190.04991	16.3
191.07114	0.7
195.09349	0.7
196.10109	1.0
197.10791	2.1
198.11607	0.8
199.08670	0.8
199.12387	1.9
204.06557	34.3
209.10764	1.6
210.09225	1.0
211.08676	2.7
212.09460	1.8
213.10431	1.5
224.09421	1.2
225.10187	8.1
227.11771	12.5
234.09030	0.7
236.09467	1.6
237.10265	2.7
238.11075	1.2
239.11792	3.7
241.09673	1.6
245.12830	0.8
249.10298	1.3
251.08083	1.2
251.11913	2.4
252.08865	0.8
253.09694	7.2
253.13419	0.9
255.11333	1.9
257.12900	0.9
261.10175	0.8
263.08215	1.1
264.08951	2.3
265.09833	2.1
267.11386	2.3
269.12820	15.6
271.10794	9.3
273.12265	3.7
279.11325	2.8
281.09271	0.8
283.10742	5.2
284.11624	3.6
285.12381	4.3
286.13220	0.9
287.13913	13.8
294.09845	1.2
295.10767	1.3
297.12326	6.5
299.14001	4.4
300.11771	1.0
307.10876	1.5
312.11887	0.8
312.15231	1.2
313.13156	1.5
314.13010	2.2
315.13712	1.1
316.11087	0.8
316.14493	1.3
323.10168	6.5
325.11838	21.1
326.16541	1.6
327.13562	2.2
328.10892	4.0
328.14542	2.6
329.15393	0.9
330.16113	2.1
331.16861	1.7
339.13821	1.1
340.14926	1.0
341.11737	1.9
342.12369	5.4
343.13123	6.7
344.14011	0.8
352.14282	0.8
353.12469	1.3
355.13150	1.5
356.13998	4.9
357.14520	9.5
358.15695	4.5
365.11472	1.9
369.11240	0.8
370.11511	1.5
370.15683	4.3
371.16312	1.8
378.18164	1.1
380.13831	1.3
382.12140	2.9
383.12573	1.9
384.13223	5.2
384.17630	1.0
385.14328	1.4
386.14719	1.9
386.19376	3.2
387.15842	1.0
390.18295	3.2
397.15341	1.1
398.15027	17.8
399.15805	23.9
400.16550	1.1
401.13342	0.8
402.18356	1.1
404.15997	5.8
412.16675	0.9
414.18210	3.5
416.16092	18.8
422.17084	2.5
428.16254	2.2
430.17648	2.3
440.15936	6.0
446.17133	14.1
447.17609	0.9
448.18515	1.4
458.17099	30.6
478.19495	1.8
490.19705	7.8
523.23730	0.8
565.24359	2.2
567.25836	2.8
569.24048	5.8
575.23584	0.9
583.25183	2.5
593.23932	8.9
611.25031	100.0
612.25098	1.9
643.27679	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	643.2649
Annotation	Cannabisin E
Peak:m/z	Relative Intensity
51.02383	0.8
53.03928	2.4
55.01864	0.9
56.00872	0.6
64.09881	0.5
65.03925	2.2
67.05487	0.9
69.03426	1.1
70.06591	2.1
71.51569	0.8
72.08139	0.7
73.98289	0.5
77.03899	1.6
78.04704	1.4
79.05474	2.3
81.03422	1.2
81.07057	0.6
82.04179	0.7
83.04974	0.7
84.57916	0.6
85.02899	2.1
86.09705	1.1
91.05479	12.8
93.03401	1.0
93.06483	1.2
93.07045	16.4
95.04964	4.1
97.06506	0.6
103.05466	14.6
105.03390	0.6
105.04516	2.1
105.07045	1.5
106.04151	1.0
107.04958	4.7
109.06500	0.8
110.03650	1.2
111.04384	0.6
115.05458	6.6
117.07005	5.3
119.04946	1.2
120.05704	2.8
120.08070	0.6
121.06502	97.3
122.03628	1.4
123.04447	4.3
124.05206	1.0
125.06003	1.4
129.10294	0.8
130.04147	2.0
131.04932	4.4
133.06496	1.2
137.05977	40.3
138.03152	0.9
138.06265	0.6
141.03380	0.8
142.02614	0.8
143.04929	7.6
144.05727	0.7
145.06490	6.7
146.03528	0.7
147.04396	3.3
148.05208	1.4
149.05969	2.2
151.03865	3.6
151.07574	0.9
152.04677	1.3
152.07057	6.4
153.05518	1.9
155.06050	3.8
157.02873	0.8
159.04440	1.1
160.05171	4.1
161.05988	6.4
161.98262	0.6
162.06763	4.3
163.03920	0.6
163.07574	2.8
164.07054	2.8
165.05466	0.7
167.07034	54.4
168.07426	0.8
171.06563	0.8
173.05971	11.7
174.05437	0.7
174.06767	0.7
175.07549	14.4
177.05458	3.6
177.07028	1.4
181.04956	25.6
186.03185	0.9
188.04695	1.2
189.05467	10.5
191.07014	8.6
191.08572	0.9
193.08650	0.7
194.07257	2.1
194.31792	0.5
201.05417	24.8
203.07016	4.5
205.06560	8.1
205.08667	2.3
206.08026	0.8
207.06401	0.9
209.08089	2.0
219.08255	0.9
221.06001	1.2
222.06766	4.7
223.07539	1.2
225.07613	0.7
233.05943	4.6
233.08162	2.5
234.07275	1.7
235.07576	1.4
235.09691	3.2
237.09085	9.0
239.06996	1.4
244.06018	2.0
246.06598	0.8
247.07542	0.8
249.05576	1.2
250.06238	5.6
251.07066	1.9
253.08661	0.7
259.09631	0.7
260.98306	0.6
261.05502	1.1
263.06729	1.0
263.09204	1.3
264.07861	2.3
265.08585	18.9
266.09445	0.8
267.06610	1.8
267.10104	0.8
272.12851	12.7
278.05850	1.9
279.06537	1.2
279.10205	0.8
282.08652	3.1
284.10562	1.0
290.17694	0.6
291.06494	1.8
292.07242	1.7
293.08099	12.5
294.08865	2.4
295.05957	0.9
297.11212	5.0
299.12845	4.3
307.09662	2.0
308.06769	1.4
309.07397	0.8
310.08252	3.8
323.08960	3.3
325.10703	36.6
327.12207	0.6
338.13831	4.1
342.13492	1.2
351.08655	0.8
353.10483	1.1
354.09381	1.0
354.13388	12.0
357.13367	1.6
364.11884	1.1
385.12759	12.0
387.14169	2.8
399.14539	0.8
417.15411	9.0
424.57990	0.7
460.17661	3.1
462.19110	100.0
463.19101	1.2
488.17059	25.9
625.25293	1.3
643.23798	20.5
643.33978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24289	0.8
51.02380	1.5
53.03949	3.9
55.01867	1.3
61.31182	0.7
65.03937	1.7
67.05473	0.8
70.06588	1.4
77.03931	1.7
78.04711	1.3
79.05494	1.5
84.08167	0.9
86.09718	1.0
86.39347	0.7
89.03953	3.7
91.05489	21.7
93.07047	19.9
93.07638	1.0
95.04980	4.3
103.05476	16.0
105.03412	2.1
105.04520	2.0
105.07047	2.1
106.73385	0.7
107.04967	4.2
109.06559	1.2
115.05424	3.4
117.03387	8.1
117.07027	2.7
119.04956	10.0
120.05741	1.7
121.06515	95.3
122.03721	1.1
122.06846	3.2
123.04417	2.3
125.05975	0.8
131.04958	3.7
133.02866	56.0
133.06485	2.1
134.03642	0.8
134.06038	2.4
135.04399	3.1
136.07596	5.7
137.05992	18.2
137.07773	0.7
138.06374	0.9
138.09193	1.1
143.04912	2.2
144.04378	0.9
145.02861	25.3
145.06516	4.7
146.06003	1.7
147.04420	5.1
149.05988	13.0
150.06767	6.2
151.03911	2.3
151.07544	1.4
152.07033	1.9
155.06032	1.0
158.03668	1.5
160.05267	0.7
161.05997	7.0
162.03180	0.9
162.05530	1.7
163.07628	2.0
164.07079	11.0
165.05489	8.1
167.07063	22.9
173.05994	9.9
175.03902	12.9
175.07593	4.8
177.05487	47.1
179.07083	1.4
181.04988	9.6
186.03172	1.5
187.03557	1.1
187.07571	1.0
188.07001	1.2
188.95767	0.8
189.05432	3.4
191.07051	8.1
192.06554	4.0
194.07286	1.0
201.05475	41.2
202.05882	0.9
203.07024	0.9
205.06554	4.5
205.08522	1.1
206.08415	1.1
207.06734	1.1
208.07364	0.9
219.10287	1.0
220.05200	0.9
221.06070	1.2
222.06773	3.2
223.07455	1.1
225.07556	1.0
233.05991	6.5
233.08093	1.4
234.06557	2.5
235.07588	1.7
235.09618	1.1
236.08224	1.4
237.09314	3.6
238.09398	1.0
239.07077	1.0
241.08617	0.9
247.07564	1.2
249.05544	2.5
250.06270	3.6
251.06773	2.2
252.07414	0.9
261.05496	2.6
263.07040	1.9
263.09473	0.9
264.07761	1.7
265.05191	1.1
265.08569	8.2
266.08990	1.6
267.06537	1.7
267.09857	1.2
271.11880	0.8
272.12766	3.1
275.06998	0.9
276.04242	1.3
277.04993	1.6
278.05911	1.5
279.06161	0.8
279.10266	1.0
280.07083	0.8
282.08908	4.1
291.06531	2.8
292.07230	4.5
293.04837	1.3
293.07904	7.9
294.08374	4.3
295.09238	2.3
297.11313	2.2
299.12784	1.6
307.09747	5.1
308.06790	3.3
308.10065	3.9
309.07053	1.9
309.10379	2.7
310.07904	2.3
312.12323	10.1
314.13855	3.1
323.09128	5.2
324.09549	1.3
325.10712	33.6
326.11047	8.4
327.11417	6.2
338.07126	0.7
338.13916	4.6
341.10275	1.2
351.08673	4.9
352.08865	5.6
353.09161	5.5
354.13297	5.5
364.11819	2.1
377.26871	1.2
385.12933	2.2
387.14450	2.0
417.15427	9.2
460.17410	5.5
461.18152	2.1
462.19144	100.0
463.19446	2.4
464.19797	2.5
480.20111	1.7
487.15933	1.5
488.16934	11.8
625.24957	2.5
643.25024	4.0
643.33398	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	643.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60968	0.4
51.02379	1.2
53.03946	2.7
55.01875	0.6
56.34793	0.4
61.96286	0.4
62.91683	0.4
65.03932	1.0
69.42698	3.5
70.06603	0.9
77.03908	2.2
78.04710	0.5
79.05516	1.1
81.03414	1.2
81.07048	0.7
86.09706	1.1
89.03927	4.7
91.05482	19.9
93.07042	16.8
94.04221	0.6
94.47838	0.5
95.04966	4.4
103.05469	14.6
105.03373	2.9
105.04490	2.1
105.07036	0.8
106.04155	0.7
107.04961	3.3
115.05471	1.9
117.03377	11.7
117.04156	0.9
117.07016	1.6
118.06553	0.5
119.04938	10.9
119.08522	0.5
120.05753	1.0
121.06506	83.4
122.03630	1.2
123.04448	1.4
123.28554	0.5
125.06026	0.5
130.04184	0.7
131.04901	1.8
132.04469	0.6
133.02855	70.8
134.03595	1.6
134.06035	3.4
135.04434	3.2
136.07571	4.0
137.05981	12.4
138.09177	0.6
143.05016	1.0
145.02841	33.7
145.06480	2.7
146.05974	1.0
147.04407	6.5
148.05154	0.5
149.04829	0.9
149.05972	17.1
150.06764	7.9
151.03894	1.2
151.07509	1.8
152.04721	1.2
157.04062	0.7
158.03670	2.4
159.04611	0.5
161.05989	6.9
162.03166	0.6
162.05545	0.7
163.03918	1.0
163.07552	1.6
164.07080	9.6
164.08409	0.7
165.05489	7.9
167.07050	7.4
173.05986	6.5
175.03911	15.0
175.07568	1.1
177.05476	66.5
178.05829	0.9
179.06970	0.5
181.04990	5.8
182.91177	0.4
186.03171	1.4
186.05534	0.8
191.07021	5.1
191.08563	0.7
192.06538	6.2
194.07149	0.5
201.05472	43.1
204.06131	0.4
205.06581	2.6
205.08295	0.6
219.08170	1.0
221.06065	1.1
221.08121	0.6
222.06808	1.3
225.07512	0.7
233.05978	4.2
233.08058	0.6
233.57491	0.5
234.06749	0.9
235.07550	0.8
236.08366	0.7
237.09097	1.2
237.53520	0.4
246.02094	0.4
247.07504	0.7
249.05533	2.5
250.06259	2.0
261.05399	2.1
263.09341	0.7
264.07800	1.2
265.08582	3.0
269.11719	0.8
275.07001	0.8
276.07880	0.5
277.05072	1.3
278.05710	0.7
292.07224	3.0
293.04956	0.5
293.07996	2.3
295.09665	0.6
296.25229	0.4
297.11182	0.6
298.14835	0.4
299.12894	0.9
307.09653	2.7
308.06802	2.4
310.08340	0.5
312.12292	13.2
314.13879	3.0
325.10706	25.8
338.13834	5.4
351.08646	1.9
385.12708	1.3
387.14374	0.6
417.15472	1.6
461.20795	0.6
462.19113	100.0
463.19379	1.4
469.82242	0.4
481.10931	0.6
488.17056	3.6
625.25348	1.1
643.26178	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	643.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02774	0.4
67.05480	1.0
69.86308	1.3
69.86714	1.1
95.08578	0.4
98.21501	0.7
105.07013	0.5
212.04102	0.6
238.33798	0.5
306.84668	0.5
396.12180	1.1
397.13043	1.6
410.13995	2.1
411.14551	5.2
412.15298	3.6
413.16324	2.7
423.10107	0.6
423.14932	0.9
424.10815	0.9
424.15540	2.2
425.16254	12.4
426.16922	8.1
427.17606	2.2
428.18646	1.5
437.16367	0.7
438.13220	2.8
438.18094	0.8
439.13727	15.8
440.19205	4.0
441.19333	37.5
442.19806	1.4
451.18738	0.6
452.13904	3.0
453.15363	15.5
454.15958	3.8
463.14148	0.8
465.15433	0.8
466.16696	0.6
467.17218	24.2
468.18002	13.3
469.18887	13.6
471.16525	0.8
480.17056	1.0
481.14859	13.9
482.15173	2.9
485.18820	1.2
489.14029	0.7
494.16583	0.6
495.16901	2.7
496.17261	13.5
497.18127	2.1
499.20255	0.9
508.20059	1.1
509.18289	1.9
510.19604	0.7
512.20776	0.9
514.22449	2.4
522.17987	0.6
523.19910	1.7
527.23419	3.0
537.19373	1.0
540.20264	0.7
542.22083	0.7
555.22455	29.2
556.23016	1.4
568.19263	0.7
583.21948	100.0
584.22504	3.7
587.25171	1.9
611.21643	2.5
614.24237	0.8
615.15088	1.0
615.24500	11.7
643.23993	78.6
644.24115	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	643.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
60.81897	0.5
64.69113	0.5
67.05502	1.0
69.07076	0.6
69.43981	2.4
69.44411	1.4
79.05522	0.6
81.07065	1.0
88.31825	0.5
92.35433	0.5
93.07044	0.7
95.08595	0.9
98.21407	1.7
106.20226	0.5
107.08579	0.6
112.58640	0.5
121.91091	0.5
150.66893	0.5
170.91992	0.5
177.53777	0.5
197.68829	0.5
218.50641	0.5
301.06943	0.5
312.87839	0.6
643.25299	100.0
644.25183	1.9
665.88025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01868	2.1
56.96564	1.1
57.03436	1.0
60.96461	0.8
65.03940	6.7
67.05506	2.3
69.03428	2.3
70.06588	2.4
71.01373	1.0
71.51877	1.1
72.08136	1.4
78.04693	2.0
79.05493	4.7
81.03419	3.0
81.07053	1.8
82.04216	2.8
84.08136	0.9
85.02900	3.9
86.09682	1.4
89.03889	0.9
91.05479	6.8
93.03416	3.2
93.07021	1.5
94.04176	0.9
95.04993	4.5
95.08630	1.9
97.06532	1.6
102.04698	0.9
102.80106	0.8
103.05468	14.9
105.03398	4.5
105.07027	6.8
106.04163	0.9
107.04955	9.8
108.02172	1.0
109.06507	2.4
110.03658	2.9
111.04425	2.5
112.09198	0.8
115.05472	4.5
117.03343	0.8
117.07025	6.1
118.04173	4.8
119.04954	2.0
119.08601	1.0
120.05730	1.2
121.06491	6.7
122.03622	1.0
123.04404	6.1
124.05219	3.0
125.05988	2.8
128.06256	0.8
129.06964	1.3
130.04117	1.0
131.04929	16.1
131.08530	1.0
132.05641	1.8
133.02853	3.5
133.06499	6.8
133.58105	0.7
135.04440	2.0
135.08063	1.1
137.05980	8.8
138.03107	1.5
139.03860	0.9
140.04672	1.5
141.07019	0.9
142.02629	2.4
143.04945	1.2
144.05644	2.1
145.02835	2.5
145.06496	6.6
147.04434	2.3
147.08069	1.9
148.05215	9.0
149.06000	4.5
151.03912	4.1
151.07530	2.6
152.04767	1.9
152.07068	1.1
153.05489	6.0
155.05939	1.7
155.07040	3.3
157.06554	1.1
159.08112	2.0
160.05388	0.9
161.06004	7.8
162.06842	0.8
163.07555	17.7
164.07033	1.8
165.05486	4.9
165.09128	1.3
167.07045	64.6
168.07391	2.2
171.06546	2.8
173.05986	9.5
175.07576	3.5
176.04666	2.5
177.05453	7.7
177.09206	0.9
179.07060	2.0
179.08650	1.0
180.07803	2.4
181.04959	100.0
182.05287	3.4
183.06659	1.0
185.05933	1.1
187.07549	3.4
189.05463	2.1
189.07051	1.0
190.06294	1.6
191.07036	78.5
192.07451	1.0
193.04990	3.1
193.08601	2.9
195.06532	3.3
201.05504	2.0
203.06993	2.9
205.08572	4.1
207.06470	4.4
207.08167	1.1
207.10220	1.1
208.07253	3.8
209.08092	3.5
217.08583	3.2
219.10124	7.5
221.07956	1.5
225.07565	13.4
226.08362	2.9
233.05969	1.0
233.08063	8.4
235.07549	1.8
235.09683	7.1
245.08144	1.0
254.05832	0.9
255.10323	1.1
259.09738	1.1
263.06625	2.0
263.09161	19.2
264.07788	1.3
265.08554	1.2
267.10117	4.0
297.11224	1.8
307.09686	0.8
309.11322	0.8
325.10638	4.7
329.10184	1.0
331.11581	1.1
335.09177	0.8
339.12286	1.7
353.09961	1.5
355.11905	1.5
357.13303	5.7
367.11780	2.1
369.12909	2.1
371.14987	0.9
377.19757	1.2
381.13278	1.2
385.12802	9.2
386.13174	1.3
387.14105	3.5
399.14264	3.8
417.15372	18.6
449.07141	1.1
486.82034	1.1
643.22992	6.8
643.33173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03947	1.6
53.33198	0.3
55.01871	2.5
65.03941	6.0
66.04716	0.7
67.05507	2.6
68.99786	0.6
69.03426	1.4
69.07070	0.7
70.06594	0.6
71.01351	1.3
71.04979	0.6
71.51963	0.3
71.62689	0.3
73.02901	0.4
77.03939	0.8
78.04714	1.6
79.05498	5.6
81.03422	4.0
81.07067	1.4
82.00540	0.4
82.04191	1.7
84.08138	0.7
85.02902	5.0
86.09714	0.8
91.05486	5.6
93.03406	2.2
93.07035	1.2
94.04182	0.7
95.01348	0.5
95.04971	4.3
95.08587	0.4
97.02876	1.0
97.06525	2.1
101.05980	0.5
102.04697	0.7
103.05470	17.5
105.03381	3.4
105.04523	0.9
105.07036	6.5
105.23078	0.3
106.04175	1.3
107.04957	7.9
108.02118	0.9
109.06532	2.6
110.03667	2.7
111.04448	1.5
115.05460	6.4
116.06261	0.6
117.07012	4.7
118.04165	4.4
119.04949	3.3
119.08571	1.0
120.05719	1.1
120.08121	0.3
121.02821	0.5
121.06510	5.2
122.03622	1.4
122.06833	0.4
123.00858	0.5
123.04434	6.1
124.05231	1.9
125.05992	4.4
128.06235	1.1
129.05496	0.4
129.06985	1.5
129.10210	0.4
130.04150	1.5
131.04933	17.0
131.08545	1.1
132.02003	0.4
132.05748	1.6
133.02850	3.6
133.06491	8.4
134.03603	1.0
135.04413	1.3
135.08047	1.6
136.05249	0.6
136.07590	0.5
137.05969	8.3
138.02081	0.3
138.03142	1.4
139.03871	0.7
139.07513	0.6
140.04660	1.6
141.01770	0.4
141.06963	1.0
142.02615	2.4
142.18520	0.3
143.04909	1.9
143.05975	0.8
144.05708	2.2
145.02861	0.7
145.06477	6.2
146.03590	1.0
146.07278	0.8
147.04431	2.3
147.08031	2.4
148.05194	10.5
149.05988	3.3
150.06667	0.6
151.03922	2.6
151.05005	0.5
151.07547	1.9
152.04671	1.7
153.05458	6.7
154.06273	0.7
155.04910	0.6
155.06000	1.3
155.07048	2.0
156.05685	0.8
157.06491	1.7
159.04422	0.5
159.06891	0.4
159.08058	2.0
160.05251	1.1
161.05978	7.0
162.06757	0.7
163.03865	0.4
163.07541	19.7
164.04648	0.3
164.06914	0.4
165.05501	6.2
165.06889	0.8
165.09111	0.4
166.02612	0.6
166.06274	0.9
167.07039	57.2
169.04948	0.4
169.06415	0.4
171.04391	0.8
171.06526	3.1
172.03912	1.0
172.05209	0.6
173.05975	7.6
173.19052	0.3
174.06763	0.8
175.03899	0.7
175.07547	4.2
176.04701	2.3
177.05493	3.6
177.06908	0.6
177.09111	1.2
179.07021	1.4
179.08456	0.7
180.07802	2.1
181.04953	100.0
182.05321	1.0
183.06572	0.9
185.05923	0.8
187.03871	0.4
187.07550	4.3
189.05443	1.1
189.09109	0.4
189.16318	0.6
190.06248	1.5
191.07027	85.6
192.07672	1.0
193.04974	5.0
193.06604	0.6
193.08601	2.7
194.07404	0.4
195.06569	3.6
197.08076	1.1
201.05476	2.0
202.06155	0.8
203.05426	0.5
203.07014	3.0
204.06503	0.6
205.06688	0.6
205.08582	4.7
206.07275	0.6
207.06485	5.1
207.08125	0.9
207.09924	2.3
208.07291	4.2
209.08025	3.0
209.09673	0.5
213.05391	0.5
214.06198	0.5
215.06955	0.6
217.04959	0.3
217.08582	3.5
219.06357	0.5
219.08119	0.7
219.10120	6.9
221.06049	0.7
221.08090	1.4
223.09700	0.7
224.08244	0.4
225.07558	14.9
226.06355	0.4
226.08279	2.3
229.08633	1.3
231.06464	1.0
233.05925	0.5
233.08052	6.5
234.06810	0.5
234.08862	0.4
235.07532	1.3
235.09639	7.4
236.08165	0.6
237.05428	0.4
237.09152	0.8
239.06856	0.4
241.08620	0.5
243.06520	0.4
245.08102	1.5
247.07419	0.7
247.09697	1.3
248.08408	0.5
251.06912	0.5
252.07802	0.8
253.08742	0.5
254.09171	0.4
255.10074	0.4
257.08090	0.6
259.09702	0.6
261.11249	0.4
262.06238	0.5
263.09171	19.2
264.07623	1.2
265.04810	0.5
265.08447	0.9
267.10150	3.8
269.08200	0.6
269.11368	0.3
275.06955	0.5
277.08163	0.4
278.09277	0.4
279.06595	0.3
279.10144	1.0
280.07245	0.6
281.07904	0.8
285.07382	0.4
289.10782	0.7
290.05780	0.5
291.06363	0.6
291.10013	0.4
292.07211	0.6
293.07986	1.2
295.09607	1.4
296.10257	0.4
297.07919	0.6
297.11139	1.7
299.08936	0.7
299.12357	0.5
303.13336	1.2
307.09512	1.6
308.06738	0.7
309.07242	1.3
309.11069	0.7
310.08008	0.6
311.12933	0.6
313.10794	0.6
317.10330	0.5
322.08151	0.4
323.09076	1.1
324.09674	0.8
325.10666	4.1
327.12033	0.7
329.10104	1.3
329.13818	0.9
331.11795	0.6
335.08853	0.7
337.10611	1.1
339.12143	1.5
340.12650	0.3
344.12439	0.4
345.13104	0.4
351.08575	0.6
352.09225	0.5
353.09827	1.1
355.11771	0.8
357.09445	0.6
357.13318	5.9
359.14847	0.9
367.11688	2.4
369.13257	1.3
371.15149	0.9
381.13226	1.3
385.12772	10.3
387.14331	3.0
389.15945	0.4
399.14365	2.9
417.15442	12.9
488.16400	0.5
490.17459	1.0
593.19647	0.4
611.24463	1.1
642.45123	0.9
643.23230	0.6
643.33826	0.6
643.45526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
52.96317	0.4
53.03927	1.9
53.73537	0.4
53.84088	0.4
55.01866	1.3
58.38871	0.5
65.03940	3.9
67.05492	1.5
69.03413	1.2
70.06575	2.1
71.51999	0.6
72.08138	1.2
77.03913	1.0
78.04706	2.8
79.05489	3.7
81.03412	1.2
81.07071	0.7
82.04183	1.1
84.08111	1.0
84.59418	0.4
85.02901	2.3
86.09692	1.3
89.03910	0.7
91.05485	7.2
93.03394	1.0
93.07051	7.3
94.04181	0.9
95.04961	3.3
97.06497	1.3
102.04617	0.7
103.05461	9.9
105.03374	0.9
105.04502	1.1
105.07023	3.8
106.04169	2.0
106.79707	0.5
107.04967	5.7
109.06486	0.7
109.10097	0.6
110.03667	2.4
111.04459	0.6
115.05454	6.6
116.84608	0.5
117.07020	8.5
118.04150	1.4
119.04922	1.5
119.08567	0.6
120.08108	0.6
121.06508	39.6
122.03667	1.7
123.04433	8.7
124.05217	3.0
125.05987	1.8
127.05445	1.1
129.10271	0.7
130.04131	1.3
131.04927	6.4
132.05649	0.5
133.02875	0.6
133.06480	3.7
134.03601	0.8
135.04431	0.8
135.07994	0.5
137.05981	16.1
138.03185	0.6
138.09128	0.7
140.04761	0.7
142.02597	1.3
143.04953	3.2
144.05653	0.6
145.02818	1.0
145.05417	0.8
145.06500	10.6
145.07628	0.6
146.03511	0.5
146.07172	0.5
147.04396	1.9
147.08038	1.3
148.05203	3.0
148.06169	0.5
149.06007	3.8
151.03882	2.3
151.07535	0.9
152.04660	1.7
152.07066	2.4
153.05466	3.5
155.06035	5.1
155.07132	1.0
157.06487	0.6
159.04396	1.3
160.05171	2.3
161.06000	6.4
162.06741	1.5
163.03928	0.7
163.07513	3.7
164.07072	0.9
165.05478	1.7
167.07042	100.0
171.06532	1.2
173.05989	21.2
174.05457	0.5
175.07521	5.0
176.04764	0.5
177.05479	6.2
177.06923	1.0
178.06157	0.5
179.07036	0.6
181.04959	56.6
181.08495	1.5
186.03235	0.5
188.04706	0.9
189.05486	3.4
191.07037	14.7
193.04915	0.9
193.08673	2.4
194.07291	0.9
194.55212	0.6
195.06544	1.9
197.07964	0.8
201.05438	10.6
203.06985	3.2
205.06589	2.1
205.08644	5.9
207.06503	1.1
207.10062	0.7
209.08061	3.4
217.08598	0.7
218.07935	0.6
219.06429	0.9
219.08295	0.6
219.10143	1.0
221.05998	0.6
221.07993	0.9
222.06744	1.6
223.07582	0.6
225.07568	1.6
231.06651	0.8
233.05952	1.7
233.08115	5.4
235.07506	1.0
235.09641	7.1
237.09140	3.0
239.07126	0.6
242.44556	0.5
244.06091	0.7
245.08266	0.5
249.05504	0.8
250.06271	2.8
251.07065	1.4
263.09341	2.3
264.07806	0.6
265.08548	7.3
267.06439	0.8
267.10117	0.8
272.12793	4.8
278.05832	1.2
279.06488	0.6
279.10150	0.7
282.08997	1.1
284.10306	0.8
291.06476	0.8
292.07388	0.8
293.08038	5.1
294.08817	0.7
295.09607	0.6
297.11169	2.3
299.12939	1.7
307.09659	1.7
309.07578	0.6
310.08167	2.7
323.09286	1.7
325.06897	0.6
325.10693	12.7
326.11298	0.6
338.14047	1.4
351.08569	0.6
353.10291	1.3
354.13474	5.4
357.13354	5.0
364.11780	0.7
381.13742	0.7
385.12808	26.6
386.13617	1.3
387.14328	5.6
399.14429	1.4
415.13831	0.8
416.14969	0.6
417.15457	13.6
460.17532	1.0
462.19128	39.0
463.19339	0.7
488.17065	10.9
613.22540	0.9
643.23798	49.2
644.24133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.05503	0.7
65.03943	0.7
67.05506	0.8
69.30497	1.4
69.30894	4.3
70.06594	5.3
72.08156	0.9
77.20924	0.7
79.05483	0.8
84.04511	0.9
84.08138	1.8
85.02895	1.1
86.09702	2.5
89.03927	1.6
91.05479	13.3
93.06490	0.9
93.07042	13.4
94.04163	0.7
95.04964	3.9
98.97578	0.7
103.05466	10.9
105.04505	1.3
105.07039	0.8
107.04950	5.2
109.02899	0.7
109.06499	0.8
110.07140	1.0
110.93263	0.7
115.48477	0.7
117.03406	4.5
117.07023	0.9
119.04944	4.8
120.08080	0.8
121.02884	1.6
121.06509	86.5
125.05986	1.2
129.10248	1.7
131.04938	0.8
133.02847	9.3
135.04437	1.5
135.06721	0.8
136.07565	1.3
137.05989	6.0
141.03340	1.7
143.04874	0.9
144.04460	1.1
145.02852	7.5
145.06490	5.4
146.06012	1.3
147.04422	1.2
149.05977	4.2
150.06750	1.5
151.03799	1.6
155.05984	1.3
161.06030	1.3
162.05487	3.1
163.03867	1.1
164.07089	6.4
165.05518	1.0
167.07037	2.6
173.06023	1.6
175.03891	3.3
175.07579	0.7
177.05481	13.9
177.06877	0.7
181.04955	3.8
186.03177	2.2
188.07095	1.8
189.05365	1.4
189.06999	0.9
191.07008	4.5
194.07318	1.3
201.05388	78.8
203.07043	1.0
205.06531	3.6
207.08072	1.3
211.07513	1.3
217.04961	0.9
219.08096	1.4
220.05205	4.8
221.06007	1.7
222.06818	2.8
226.04930	1.0
228.06479	0.7
229.08606	2.0
233.05948	4.7
234.06758	3.1
235.07532	18.2
235.09795	1.3
236.08368	1.0
237.05486	1.6
237.09125	11.9
239.07011	1.3
244.06116	2.4
247.07506	2.8
248.04703	6.0
249.05484	4.5
250.06204	4.1
251.07050	1.6
253.08752	1.5
253.27553	0.8
263.07037	25.9
263.14893	0.8
264.07855	2.2
265.04990	5.6
265.08606	22.1
267.06570	2.4
270.11203	1.6
276.04062	1.1
279.09952	1.1
280.07343	10.8
282.08878	30.7
291.06522	20.3
292.07199	1.2
293.04544	1.4
293.08060	2.0
295.09595	3.1
297.11240	13.8
301.07339	1.4
307.09418	1.6
308.06732	6.6
308.09485	0.7
309.07187	0.8
312.12308	1.5
313.10733	4.4
317.06589	1.1
323.09134	100.0
324.12393	1.7
325.10748	6.6
327.08578	1.4
329.06671	0.8
334.10669	2.0
336.12332	1.4
344.09052	1.8
351.08469	1.9
352.11862	1.1
362.10083	5.4
364.11765	6.5
369.09601	2.4
458.15967	4.0
460.17572	71.5
461.18387	1.1
462.19293	1.1
486.15506	61.5
487.15396	0.9
488.17075	56.2
504.16379	0.9
623.23932	7.3
641.23999	4.1
649.82190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	1.4
69.07066	0.8
73.14111	0.5
73.37130	0.6
81.07059	1.5
85.02888	0.6
88.83507	0.6
91.05447	0.7
95.08598	1.2
121.10947	0.6
133.10187	0.8
136.94221	0.6
176.77332	0.7
185.04225	9.1
242.14540	0.6
297.34332	0.5
321.77908	0.6
337.27551	0.7
338.27780	2.0
370.15231	0.7
479.34918	0.7
641.40216	100.0
642.40686	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87562	0.6
53.03929	1.2
55.01862	1.4
56.65504	0.6
65.03930	1.1
66.76409	0.6
67.49695	0.5
67.72713	0.6
69.23203	3.3
69.23618	2.1
70.06575	0.7
71.04981	1.2
75.00455	0.6
79.05508	0.8
81.07050	1.0
81.68195	0.6
86.09706	0.8
91.05476	8.4
93.07049	4.9
95.04953	2.1
98.20700	1.3
98.46256	0.6
103.05468	5.5
105.04504	0.8
105.07043	1.3
105.25720	0.6
107.04964	7.2
115.05459	1.9
116.04947	0.9
117.07010	2.7
119.04948	4.8
120.71583	0.7
121.02872	2.3
121.06503	33.7
123.04436	0.6
131.04904	1.0
133.06485	1.8
134.03604	1.2
135.04413	1.1
136.07556	3.3
137.05991	13.0
138.09148	7.8
143.04959	2.9
144.04480	3.2
145.02843	1.1
145.06483	11.5
146.05954	1.6
147.04402	2.4
149.05992	3.8
149.27202	0.6
150.06761	1.4
151.03896	5.9
151.05013	1.0
152.07062	1.0
155.06018	1.3
158.03674	1.5
161.05971	2.7
162.05493	8.1
163.03914	1.3
163.07500	0.6
164.07123	4.9
165.06956	0.8
167.07037	2.0
173.05974	4.7
175.03935	3.3
175.07599	2.4
176.07109	1.4
177.05449	3.0
177.07008	3.6
181.05055	3.4
181.06444	1.1
181.10112	0.7
186.03139	8.0
188.07108	6.0
189.05450	2.7
189.06958	0.7
191.08533	0.9
193.06549	1.0
194.07257	3.0
195.08118	1.1
199.07562	0.9
201.05450	20.4
201.07198	1.3
203.06902	1.0
204.05602	1.2
205.06520	14.7
206.07310	0.7
207.06456	1.9
207.08133	1.4
209.09645	0.8
211.07549	1.5
215.03397	1.2
217.06509	1.4
218.07256	1.2
219.08109	3.4
220.05176	1.5
221.06049	4.3
222.06747	8.9
223.07513	1.2
227.07016	2.6
229.08704	0.9
233.05977	18.4
234.06804	4.9
235.07465	3.3
236.04753	0.9
236.08339	1.0
237.05508	0.9
237.09100	12.3
238.06223	2.0
239.06975	2.9
246.06715	0.9
247.07553	4.6
248.04703	1.5
248.08191	1.3
249.05434	4.8
250.06247	15.2
251.07024	3.1
252.07805	2.0
253.08635	2.8
254.05644	1.4
254.09596	0.9
255.06415	0.7
255.09084	0.8
261.05591	3.1
262.06204	1.0
263.07059	3.4
264.07773	7.8
265.05032	4.1
265.08575	26.7
266.06036	0.6
266.09384	2.3
267.06549	3.9
267.10138	0.7
270.11212	5.2
272.12811	1.8
275.07074	1.3
276.04114	1.0
277.05002	4.0
278.05789	8.4
279.06424	1.9
279.10162	3.1
280.07315	3.4
281.08063	1.6
282.05890	0.7
282.08765	2.9
291.06628	3.0
292.07285	27.3
293.04504	5.5
293.08096	25.8
293.11429	1.3
294.08710	1.1
295.06042	3.1
295.09674	3.1
297.08380	0.9
297.11215	4.7
299.09134	6.1
304.03687	1.7
307.09625	45.2
308.06781	21.9
308.10233	1.4
309.07553	1.5
310.08319	3.7
317.08026	1.2
319.06107	2.2
320.06552	0.9
321.03946	0.9
323.09146	18.9
324.12512	0.7
325.10709	100.0
326.10870	0.8
335.09131	3.8
336.06186	5.9
337.09604	0.8
341.10217	6.5
343.11911	1.0
349.10605	0.9
351.08640	73.0
352.11722	2.4
362.10657	0.9
364.11725	1.1
367.08176	2.6
380.11346	7.7
392.11279	1.7
460.11044	1.0
460.17581	24.5
462.19141	24.7
478.18469	2.8
486.15509	21.6
488.16986	8.0
504.16586	1.4
517.19757	2.8
528.48578	0.7
623.23853	7.4
641.22913	1.7
641.33356	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34986	0.8
53.03943	3.9
53.68125	0.9
55.01878	1.2
57.70847	0.8
63.90250	0.9
65.03938	1.8
67.05502	1.0
69.07066	0.9
70.06608	1.2
71.47308	0.7
77.03938	1.7
79.05486	1.7
79.17007	0.8
81.07070	1.4
84.08158	1.1
86.09705	1.3
89.03954	1.3
91.05484	27.1
93.07048	14.1
95.04964	2.8
95.08605	2.8
98.97579	0.9
103.05473	13.6
104.34060	0.7
105.03411	1.3
105.04472	1.8
105.07008	1.9
107.04955	3.5
107.08599	2.1
109.06544	1.7
109.10143	1.4
114.87566	0.9
115.05462	1.8
117.03406	3.5
117.06995	2.2
119.04951	21.9
121.02892	1.5
121.06509	81.0
121.10120	1.2
126.05669	0.8
131.04930	1.7
131.08543	1.4
133.02856	15.1
133.06482	1.1
133.10172	1.1
135.04395	6.6
135.06816	1.2
135.11710	1.2
136.07593	11.7
137.05983	22.9
138.09138	6.0
143.04877	1.0
143.08519	1.0
144.04416	1.0
145.02812	4.3
145.06487	13.9
145.10104	1.1
146.05994	1.9
147.04411	12.9
148.05170	1.0
149.05981	21.2
150.03139	1.6
150.06758	14.9
151.03897	6.6
151.07532	1.0
155.06044	1.4
157.03960	2.6
159.04401	3.1
159.11661	2.1
161.06027	5.3
161.13225	1.1
162.03130	1.4
162.05519	1.9
163.03937	5.1
164.04791	1.6
164.07071	7.6
165.05470	3.4
165.09052	1.2
167.07040	3.6
173.06003	2.4
173.13255	2.8
174.03090	1.2
175.03932	26.9
175.07497	1.2
176.04691	1.4
177.05493	15.5
177.06978	1.0
179.07051	1.0
179.08627	1.8
181.05014	4.3
181.06384	1.2
185.13287	1.4
187.03897	8.8
187.14841	4.7
188.07063	5.2
189.16446	1.0
191.00653	0.8
191.06970	1.1
191.17967	3.3
193.04965	2.0
199.14841	1.0
201.05478	14.6
205.04944	2.3
205.06589	1.3
207.08112	6.5
217.04900	1.3
217.09021	0.9
220.05182	2.8
221.04390	2.0
221.06242	1.2
221.37373	1.0
222.06660	1.1
233.06012	3.2
233.08083	1.2
233.15364	1.8
234.06769	1.5
235.07541	8.8
237.05414	2.8
237.09065	1.4
247.16933	2.2
248.04749	2.4
249.05511	4.8
250.06236	1.1
251.07057	1.5
252.07906	1.6
255.10185	1.6
256.07257	1.4
263.07034	14.5
264.07681	1.6
265.04965	16.7
265.08542	2.4
267.10205	1.7
277.08383	1.3
279.06522	2.7
280.07205	4.1
280.29498	0.9
281.08173	1.9
282.08829	1.0
291.06482	7.1
292.07343	1.6
293.04492	17.8
293.07715	1.9
295.09711	8.1
296.12808	1.6
299.09161	6.4
306.08981	1.2
307.09656	3.7
308.06784	100.0
309.07553	1.5
310.10989	1.0
311.09119	2.8
319.06000	3.6
323.09100	15.6
325.10776	20.8
336.06281	1.2
336.12427	1.8
339.08551	1.7
341.10138	1.5
349.06989	2.1
349.10889	1.4
351.08649	56.9
367.07895	3.5
369.10001	1.5
378.36520	1.1
385.12677	1.8
391.17300	1.2
460.17566	7.4
461.32596	1.4
486.15503	22.7
488.17056	72.3
504.16034	5.0
553.71497	1.2
623.23920	14.8
641.23926	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	641.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17541	0.4
50.99486	0.4
51.02354	0.4
53.03949	2.0
55.01853	0.6
65.03938	0.5
68.16516	0.4
70.06613	2.6
72.08144	0.7
79.05461	0.6
81.03394	0.7
84.08121	1.2
85.02890	0.5
86.09695	1.6
89.03909	0.7
91.05486	7.5
93.06492	0.6
93.07047	10.1
95.04977	2.1
98.97596	0.5
102.04709	0.5
103.05471	7.9
105.04495	1.0
105.07109	0.5
105.07826	0.4
107.04981	0.6
110.03648	0.4
110.07146	0.4
115.05444	0.9
116.04973	0.6
117.03360	0.6
117.07018	0.7
119.04973	1.1
120.08085	0.6
121.06508	69.6
123.04386	0.7
125.05977	0.8
127.03839	0.5
127.13874	0.5
129.10214	0.9
130.04205	0.5
135.04395	0.8
136.07573	0.6
137.05942	1.3
141.03346	2.9
144.04428	1.2
145.02840	1.9
145.06503	0.7
146.06052	0.5
147.04367	0.8
149.05980	1.3
151.03958	0.7
151.07553	0.5
162.05515	4.4
164.07072	3.7
167.07062	3.2
173.05963	2.5
177.05472	2.7
181.04993	3.0
186.03163	0.6
189.06970	0.6
191.06996	4.2
194.07249	0.9
201.05383	94.9
202.05878	1.2
205.06499	2.2
207.08163	0.7
211.07605	0.5
219.08046	1.2
220.05226	6.3
220.40289	0.4
221.05978	1.1
222.06795	1.7
233.05948	1.4
234.06700	2.1
235.07544	20.8
237.05444	1.2
237.09119	6.6
238.05153	0.5
239.06984	0.9
244.06004	2.8
247.07512	2.4
248.04660	5.4
249.05580	3.1
250.06279	2.6
250.08484	0.5
251.07021	1.0
252.07671	1.1
263.07031	27.9
264.07724	2.5
265.04987	5.0
265.08603	15.6
265.11444	0.8
266.05215	0.5
266.09207	0.5
267.06567	1.1
280.04196	0.7
280.07309	10.4
282.08884	22.6
291.06491	15.0
295.09625	1.7
297.11227	9.7
299.09128	1.4
308.06790	3.3
312.06415	0.7
313.10672	3.9
322.10892	0.5
323.09137	100.0
324.09424	1.1
327.08588	0.8
339.12149	0.8
340.12140	0.7
362.10388	0.9
364.11786	15.9
383.12720	0.6
385.12894	0.8
458.16028	18.1
460.17548	7.6
486.15536	8.5
488.17068	92.3
489.17413	1.5
504.16852	3.5
623.23895	6.1
641.22205	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01870	0.6
63.02381	0.9
65.03945	2.1
65.25684	0.4
67.05507	1.1
67.57790	0.5
69.07069	0.7
70.06597	2.2
71.52224	0.5
72.08151	0.6
73.28407	0.4
78.04722	1.1
79.05487	1.2
81.03401	0.6
81.07059	1.3
82.04230	0.4
84.04496	0.5
84.08138	1.1
85.02908	0.9
86.09708	1.4
89.03912	7.4
91.05483	12.0
93.07053	4.0
95.04961	2.6
95.08588	0.6
97.02895	0.7
103.05461	4.2
105.07002	0.9
106.04184	0.7
106.77876	0.4
107.04978	3.2
107.08585	0.5
109.06550	0.8
109.10176	0.7
110.02402	1.2
110.03703	0.6
115.05452	2.4
117.03383	21.8
117.07021	2.0
119.04964	5.5
119.08576	0.5
120.05786	0.5
120.08124	0.5
121.06510	24.1
123.04427	1.3
124.05170	0.5
125.05996	1.2
127.05470	0.5
129.10251	0.6
130.06532	0.5
131.04994	1.0
133.02806	0.5
133.06580	0.5
134.03690	1.1
134.06097	0.5
135.04393	2.1
136.05157	1.0
136.07535	0.5
137.05983	4.5
138.03101	0.6
138.09167	0.6
142.02554	0.7
143.04924	0.9
145.02849	50.9
145.06487	5.4
145.10117	0.6
147.04369	1.6
148.05225	0.7
149.05989	9.1
151.03920	1.4
151.07549	14.6
152.04553	0.6
153.05438	0.8
155.06027	1.5
158.06021	0.5
159.04491	0.6
160.05122	0.5
161.05978	1.4
163.03880	1.5
164.07080	2.5
165.05492	1.9
165.09128	3.3
167.07045	14.4
173.06000	5.1
175.07562	1.6
177.05476	100.0
178.05908	1.1
180.04225	0.5
181.04959	21.7
186.03096	0.7
186.05496	1.9
187.03847	2.8
189.05467	1.1
191.07092	2.3
201.05392	14.7
202.05933	0.7
203.07062	1.6
205.04874	0.7
205.06514	2.6
205.08575	1.5
207.06473	0.7
211.07518	0.6
217.08519	0.5
218.08069	1.2
219.06474	1.2
219.08238	0.6
220.07253	1.0
221.05977	1.6
222.06779	0.7
223.07579	1.8
225.07545	0.7
230.04517	0.9
231.06551	0.6
233.05951	2.0
233.08130	2.6
234.06749	0.5
234.08867	1.2
235.07516	1.8
235.09651	1.3
237.09096	1.6
244.05972	0.6
248.04633	1.0
249.05426	2.1
250.06261	2.2
250.08679	0.7
251.07027	2.8
258.11124	0.6
259.04034	0.5
262.06125	0.5
263.07080	3.0
264.07855	0.7
265.04871	0.7
265.08597	3.8
266.05725	1.1
266.08337	0.5
268.07291	1.1
272.12943	0.5
277.05020	1.2
278.05731	1.4
278.08408	0.9
279.06412	1.7
280.07275	0.5
281.07990	0.7
283.09656	2.0
285.10925	0.5
287.03494	0.6
291.06564	2.0
292.07327	0.9
293.08032	3.2
294.05225	0.9
295.05896	0.6
297.11096	0.4
299.09042	1.3
300.12314	1.0
302.13794	0.7
307.06287	0.6
307.09650	1.8
308.06793	1.5
309.07550	12.1
309.11099	0.9
310.10843	0.7
311.09195	4.3
319.06018	0.9
323.09317	2.7
324.09518	0.5
325.10782	4.1
326.10214	0.5
328.11816	5.0
331.12109	0.5
337.06937	0.9
340.11462	0.6
351.08661	7.0
352.12061	0.6
354.09647	1.8
355.11676	0.5
364.11670	0.6
380.11288	1.0
385.12888	6.9
386.13577	0.9
387.14294	1.4
394.12872	3.2
415.13647	1.3
416.14780	2.4
417.15427	2.6
446.15945	5.1
447.18634	0.5
448.17621	2.1
460.17401	1.6
465.13785	0.7
465.20166	7.8
474.15524	13.2
476.17108	0.8
478.18457	1.2
486.15210	1.0
488.16870	1.7
491.17896	1.9
504.16592	17.6
562.50891	0.4
611.21088	0.9
623.23273	0.9
641.22644	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1714
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03942	0.2
53.26625	0.1
55.01864	0.2
56.22242	0.1
57.03431	0.5
60.04523	0.1
61.02920	0.7
65.03921	0.2
68.99808	0.1
69.03432	2.0
70.06599	1.2
71.04983	0.5
71.51360	0.2
72.08148	0.8
72.65423	0.1
73.02914	0.3
81.03411	0.7
84.04495	0.1
84.08139	0.6
85.02910	8.3
86.09724	0.3
87.04452	0.2
90.09199	0.3
91.03943	0.4
92.02611	0.7
93.03414	0.7
97.02894	2.7
99.04456	0.5
102.05489	0.1
103.03966	0.2
107.27244	0.1
109.02853	0.8
110.07197	0.3
111.00819	0.3
120.08071	0.3
121.02872	0.7
123.04401	0.2
126.03117	0.4
127.03922	2.4
128.05113	0.1
129.10249	0.4
130.30637	0.1
135.04414	0.2
136.07607	0.3
137.02318	0.6
137.05978	0.3
139.03915	0.8
145.02864	0.4
145.04956	2.9
151.03926	1.4
153.00572	0.3
153.01833	5.8
163.03926	1.3
163.05975	0.3
165.01874	0.6
166.02673	0.1
175.07509	0.1
177.05499	0.8
183.02866	0.2
187.03926	0.2
200.04626	0.2
201.05437	0.6
203.03387	0.3
210.11076	0.1
217.04918	0.5
218.05731	0.5
219.02927	0.1
228.04219	1.0
228.12311	0.5
229.04993	2.7
231.02818	0.3
245.04469	1.2
246.05246	1.6
252.12341	0.4
257.04468	2.3
260.03232	0.3
261.07584	0.3
271.05963	0.3
273.03989	1.6
274.04724	4.1
284.03220	0.3
285.03964	4.0
286.04489	0.2
287.01950	0.2
290.85315	0.1
302.04233	12.1
303.04678	0.2
315.04953	0.2
316.06100	0.2
317.06564	100.0
318.06903	1.0
329.06653	0.3
359.07660	0.6
361.04175	0.2
383.07352	0.3
413.08759	0.2
425.08524	0.2
426.24661	0.1
460.94803	0.2
479.11835	4.9
508.03320	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	640.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01870	6.7
55.05514	8.0
59.05020	2.0
67.05503	8.3
69.03436	15.5
69.06728	2.7
69.07071	32.1
70.06594	14.6
71.01348	5.5
71.04987	6.0
71.52059	2.8
72.08154	6.5
73.02928	3.4
73.06567	3.1
75.04480	7.6
79.05493	20.5
81.03406	8.7
81.07056	15.3
83.01366	2.6
83.04985	64.0
84.04498	2.1
84.08157	8.7
85.02912	14.4
85.06570	2.0
86.09700	5.2
87.04467	1.9
91.03991	1.7
91.05482	20.3
93.07043	19.0
95.04980	14.6
95.08587	9.0
97.02893	22.3
97.05917	3.7
97.06535	55.5
99.00788	2.0
99.04464	14.1
101.02376	5.5
101.06030	3.2
103.05498	3.5
105.07031	55.2
107.04987	8.5
107.08604	19.4
107.09325	2.4
109.02862	2.3
109.06510	15.0
109.10219	1.6
110.07185	3.8
111.04467	5.2
113.02409	2.5
113.05976	3.0
115.03923	4.2
115.08636	1.9
117.03390	5.1
117.07026	12.8
118.67912	1.7
119.04920	8.5
119.08608	14.3
120.08113	3.5
121.02910	1.8
121.06511	39.9
121.10134	3.3
122.03631	1.6
123.04453	2.0
123.08067	2.8
125.02370	5.9
125.05994	99.8
127.03932	4.1
128.06267	2.2
129.05490	10.4
129.07010	6.0
129.10271	2.2
130.07770	5.1
131.04950	3.0
131.08568	19.2
133.06494	12.4
133.10124	7.2
135.04453	4.0
135.08118	3.0
135.11722	5.0
136.07553	2.6
137.06003	12.1
139.07558	3.9
141.07024	3.7
143.03381	2.7
143.07045	81.9
143.08574	7.3
144.09383	3.7
145.02859	10.7
145.05103	2.6
145.06488	11.7
145.10127	89.1
147.04410	2.0
147.08047	4.1
147.11682	7.1
149.05980	3.8
151.03941	8.6
151.07544	20.0
154.07780	3.4
155.08539	5.8
157.06503	1.8
157.08644	4.5
157.10127	4.5
158.07283	8.4
159.08064	12.9
159.11702	40.0
161.05994	5.6
161.09628	2.7
161.13264	2.0
163.03877	2.6
163.07483	3.3
163.11176	29.4
167.07069	2.4
169.08809	2.2
169.10133	9.8
171.11650	3.3
172.08813	6.5
173.09622	77.7
175.03891	2.5
175.04398	2.6
175.06038	43.5
175.07515	3.8
177.05453	14.8
177.12720	14.3
179.06972	2.4
179.08521	2.6
187.11188	71.7
187.14812	3.6
189.09091	2.4
189.12753	5.5
191.10674	33.9
193.07079	22.1
193.08635	1.7
195.06702	1.9
197.09630	10.7
205.12250	66.3
207.13863	2.0
209.11703	7.0
215.10677	83.9
215.14127	3.4
223.13162	2.1
233.11736	100.0
251.12787	45.3
251.14761	1.6
269.13867	5.0
283.15176	1.8
291.17810	1.6
316.09024	2.2
317.06583	20.2
317.47589	1.8
357.13574	2.4
358.14026	1.8
372.11798	1.9
392.30978	1.7
398.19534	3.2
407.16928	3.2
409.15079	1.8
413.18216	2.5
425.18097	10.6
443.18985	10.3
640.25488	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.0
53.03964	1.2
55.01876	2.6
55.05511	7.4
56.44090	1.0
59.04999	1.3
59.14877	1.0
63.84461	1.1
65.03934	1.8
67.05506	7.3
69.03436	8.8
69.07074	19.5
70.06596	14.8
71.05000	5.8
71.51693	1.2
72.08156	6.6
73.02918	0.9
73.06544	1.5
75.04489	2.0
79.05499	13.1
81.03411	4.1
81.07054	9.2
83.04986	49.6
84.04498	1.7
84.08148	7.0
85.02911	3.3
85.06537	2.7
86.09692	4.4
87.04452	1.0
91.05482	18.3
93.07053	15.4
95.04985	8.7
95.08607	4.4
97.02905	6.0
97.06534	40.8
99.04451	11.7
101.06043	1.9
103.05456	2.2
105.07037	41.9
107.04929	5.3
107.08610	10.8
109.06525	11.6
109.10081	1.1
110.07153	1.7
111.04450	2.8
111.08086	1.8
113.06004	1.5
113.07132	1.1
115.05486	1.1
116.07124	1.2
117.07021	9.0
119.04958	7.9
119.08591	10.6
120.08090	2.5
121.06512	27.8
121.10117	1.7
123.04433	1.6
123.08060	3.0
125.06003	71.5
125.09628	1.3
127.03960	1.1
127.07550	3.1
128.06187	2.6
129.05530	2.5
129.06998	3.3
129.10246	3.6
130.07765	3.4
131.04912	1.9
131.08580	15.3
133.06488	8.1
133.10162	6.2
135.04379	1.4
135.08046	2.8
135.11684	3.2
136.06189	1.6
136.07550	2.3
137.05992	6.9
139.07568	5.7
141.06966	2.9
141.98557	0.9
143.07051	52.3
143.08536	5.2
144.09337	4.9
145.02870	1.9
145.06479	10.5
145.10129	74.6
147.08057	2.8
147.11681	5.3
149.06001	1.6
149.09560	1.4
149.13278	1.1
150.73186	1.0
151.07545	14.1
154.07758	3.4
155.08533	3.4
156.09334	1.2
157.08615	8.7
157.09938	1.7
158.07315	5.9
159.08044	7.2
159.11705	35.8
161.06049	1.4
161.09615	2.0
161.13284	2.8
163.03883	1.1
163.07529	2.1
163.11189	25.7
167.07184	1.9
169.10141	11.6
171.11606	1.1
172.08844	3.3
173.06047	1.3
173.09639	44.9
175.06058	17.9
175.07503	1.4
177.05461	3.7
177.12744	12.7
179.08574	2.1
184.33548	1.1
187.11189	56.7
189.12753	3.2
191.10686	22.0
193.07034	4.7
197.09654	9.0
201.05438	1.3
205.12247	61.9
207.13853	2.1
209.11679	4.4
215.10690	73.3
223.13322	6.3
233.11736	100.0
244.01886	1.1
251.12793	53.7
269.13867	24.9
325.10574	1.5
379.17282	1.0
381.19778	1.1
407.16660	4.8
425.17987	22.8
443.19101	14.0
555.89771	1.1
640.20575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
57.07065	1.4
60.54155	1.1
67.05502	3.3
69.07063	1.9
71.52521	2.4
71.52894	1.5
79.05479	1.4
81.07063	2.5
82.38210	1.2
92.80486	1.3
93.07056	2.0
95.08615	3.4
105.07012	1.4
148.82915	1.5
229.09090	1.4
234.27838	1.4
377.17804	1.8
391.19193	5.1
392.20166	3.3
393.20831	2.0
404.19824	1.7
405.20901	10.7
406.21619	4.6
407.22104	8.8
419.22305	4.2
420.23141	4.8
421.18207	2.3
421.23773	16.0
422.24646	2.9
433.23825	4.7
435.18103	2.0
436.19318	2.3
451.21262	9.3
452.21671	2.3
461.23309	2.0
465.22830	20.1
473.19852	2.1
479.24243	1.9
487.21204	2.9
489.46143	1.6
491.20261	2.4
493.25870	1.9
501.23160	1.7
503.24329	11.5
507.27646	10.9
508.28616	2.0
523.23419	2.8
533.25433	1.9
535.27283	14.6
537.24945	10.3
541.38733	1.6
551.26453	6.9
552.27264	21.1
561.25024	3.1
579.25989	7.3
580.26801	2.5
595.28833	8.3
621.27075	15.3
639.28143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.433
Annotation	Sporidesmolide I
Peak:m/z	Relative Intensity
55.05517	1.9
56.52324	0.2
57.07071	0.7
58.06602	6.1
58.73884	0.2
67.05480	0.3
69.07075	0.5
70.06587	0.7
72.08159	12.3
72.94215	0.2
73.06561	1.8
76.45636	0.2
81.07084	0.2
83.04980	1.8
84.08145	0.5
85.08940	0.3
86.09711	21.7
94.71899	0.2
95.08643	0.3
96.08123	0.2
98.06068	0.5
98.09683	0.4
100.11261	100.0
101.06025	1.9
101.11581	0.5
126.12859	0.3
128.10696	0.6
134.74721	0.2
140.14337	3.6
143.08174	0.3
144.10237	0.2
146.11769	2.1
147.38397	0.2
154.12271	1.4
154.15904	0.6
172.13348	3.2
182.11760	0.4
200.12860	0.4
200.16469	1.4
210.14951	0.3
211.14413	0.5
214.12633	0.2
214.14374	1.2
228.15961	6.9
245.18744	0.3
249.19739	0.4
261.12701	0.3
268.19168	0.2
285.21762	4.8
287.23505	0.3
295.20319	0.3
299.23291	7.3
313.21289	0.7
327.22778	13.3
367.26138	0.5
395.25583	1.0
412.31686	0.5
427.28091	0.4
440.31232	2.6
458.32297	6.3
484.34283	0.9
512.33600	0.7
526.34943	1.3
540.36719	0.3
541.37115	0.4
611.43793	32.7
612.43982	0.7
621.41821	0.3
639.43286	14.3
640.43323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27186	0.5
53.03928	0.5
58.06609	0.8
59.66371	0.5
65.03938	1.6
70.06596	3.6
71.51698	0.8
71.52050	0.8
72.08163	1.6
73.19502	0.6
79.05487	2.1
81.07059	1.0
82.12891	0.6
84.04522	1.4
84.08148	1.6
85.02896	0.7
86.09716	2.0
89.03917	1.9
91.05489	10.6
93.07045	1.6
94.04182	1.0
95.04977	3.7
95.08602	1.2
97.02897	0.8
103.05473	3.8
105.03445	0.9
105.07037	2.1
107.04967	10.6
107.08579	1.0
109.06537	0.9
110.07193	1.2
115.05488	1.5
116.05000	1.2
117.03390	3.3
117.07025	2.5
119.04971	10.1
119.05805	1.1
119.08584	1.2
120.08097	1.2
121.02871	5.7
121.06506	6.9
122.03629	1.4
123.04414	3.0
130.04135	0.9
131.04939	2.6
132.05710	0.7
133.02899	3.2
133.06517	3.0
134.06055	3.7
135.04440	1.7
135.06847	3.9
136.05133	0.7
136.07588	7.6
137.05989	18.0
144.04477	3.1
145.02859	5.3
145.06502	10.3
146.03604	1.3
146.06013	1.7
147.04419	6.7
147.06772	0.6
148.05231	1.4
149.05949	4.1
150.06810	0.7
151.03903	3.7
157.04018	0.9
159.04387	3.1
161.05960	7.2
162.05519	9.0
163.03934	4.0
164.04718	3.7
165.05580	0.8
165.06995	2.2
167.07039	1.6
167.08398	0.7
168.04123	0.7
173.06017	2.3
174.05544	1.9
175.02386	0.7
175.03918	12.1
175.06180	0.9
175.07564	0.9
176.04680	2.7
176.07143	1.0
177.05504	13.1
177.06905	1.0
178.06148	0.6
178.07753	1.2
179.08578	1.8
181.05009	1.4
181.06471	1.1
186.03163	1.4
187.03923	6.8
188.07089	3.4
189.05356	1.3
189.06995	0.8
191.03345	0.6
191.07080	0.7
193.04939	2.0
193.06499	0.8
194.07262	1.3
195.08044	1.8
201.05479	5.9
204.06531	0.8
205.04910	2.4
205.06487	3.0
206.07243	0.9
207.06454	0.9
207.08086	6.2
209.06088	1.0
210.06802	0.9
211.07603	1.3
219.08087	0.9
220.05299	2.8
221.06029	2.4
222.06744	1.9
223.07556	3.1
224.08414	1.5
225.09216	0.9
233.06003	2.6
234.06789	1.8
235.07619	5.3
237.05460	3.2
237.09172	2.6
238.06255	1.3
238.08510	0.8
239.07040	2.7
239.10811	0.8
242.08134	1.3
247.07709	0.7
248.04732	1.6
249.05466	3.9
250.06264	2.3
250.08493	0.7
251.07022	2.4
252.07909	1.9
253.08638	4.2
254.09311	2.5
262.06210	1.5
263.07095	7.0
264.07840	1.6
265.04996	11.2
265.08618	4.4
266.05664	1.2
266.09015	0.6
267.06583	2.2
267.10208	2.6
270.11322	3.9
276.04187	0.8
277.04999	1.3
277.08585	1.0
278.05701	2.6
278.08380	0.8
279.06525	2.7
280.07278	5.2
280.09787	0.7
281.08148	8.2
282.08414	0.9
282.11304	1.3
283.09769	0.9
290.05161	0.7
291.06525	5.2
292.07208	3.9
293.04483	12.2
293.08090	5.0
294.08502	1.1
294.11462	0.9
295.06366	1.5
295.09641	4.7
296.09256	3.6
296.12848	2.3
297.07581	0.8
297.11084	0.7
299.09097	5.1
306.09045	0.9
307.06290	1.3
307.09674	4.7
308.06799	71.6
309.07532	2.9
310.08212	2.3
310.11264	4.4
311.09158	3.2
311.12045	1.4
312.12283	1.7
316.06161	0.9
317.08475	0.8
319.06052	2.2
322.10849	1.4
323.09180	13.4
324.08868	1.8
325.10751	15.1
326.10355	1.1
333.07614	0.8
335.09113	1.8
336.06201	4.0
337.10645	0.6
339.11072	7.1
340.11673	1.6
341.10117	4.0
343.11896	0.7
348.08441	0.7
349.10818	1.6
351.08670	100.0
352.11865	2.1
362.10196	1.8
366.09650	0.9
366.13666	0.8
367.08386	0.9
380.11386	5.8
392.11139	0.8
429.17911	1.0
430.16656	2.1
434.16107	1.0
443.14014	0.9
451.10620	0.8
458.16397	1.3
460.17535	6.1
466.12903	1.4
484.13943	9.4
486.15567	35.8
487.30145	0.7
497.16922	0.7
502.15149	1.8
504.16580	37.6
505.17004	0.8
515.18085	1.1
589.19916	1.5
621.22345	4.0
639.23663	8.8
639.33502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08430	0.5
55.52972	0.5
71.44184	0.7
81.07082	0.6
94.65081	0.6
109.10066	0.7
143.75098	0.5
254.86790	0.6
289.17920	0.7
339.62140	0.6
391.19308	1.7
392.20264	1.0
400.16885	1.2
401.17780	1.5
402.18948	1.0
403.19641	0.9
404.21075	1.2
405.20840	3.2
406.21497	5.5
412.17416	0.8
413.17755	1.6
414.18466	2.0
415.19373	4.0
416.20145	0.8
417.20779	1.5
419.22348	2.3
420.23169	2.9
421.23877	7.4
427.19241	1.5
428.20190	2.6
429.20844	9.6
430.21750	2.2
431.18222	1.0
432.23288	0.8
433.19333	1.0
433.24149	2.1
434.24765	1.0
442.22012	1.3
443.22507	6.0
444.23590	3.4
445.19733	2.7
446.21225	0.8
447.17480	1.1
452.22073	1.0
455.18719	0.6
456.19604	0.9
457.25055	3.1
458.25143	5.4
459.22125	7.2
460.22696	5.4
461.19373	5.6
471.21994	1.3
472.22775	5.6
473.19260	1.5
473.24356	0.9
475.21466	2.3
476.21826	5.4
485.23544	11.5
486.20111	2.0
486.24789	1.7
487.21368	1.9
488.22147	3.5
489.22839	1.8
490.23877	1.1
491.24030	1.0
499.21497	0.7
500.22443	1.4
502.23624	0.9
503.24356	15.8
504.22107	0.7
513.22998	2.3
514.23846	1.4
517.26062	7.5
529.26001	2.0
535.27075	21.4
545.25494	67.8
546.26221	1.5
549.24603	0.8
563.26581	4.3
573.24951	14.8
577.27673	0.8
578.28052	0.7
605.27594	61.6
606.28009	1.3
637.30237	100.0
638.30426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1913
Annotation	Dillenetin 3-rutinoside
Peak:m/z	Relative Intensity
53.03944	0.2
55.01879	0.2
55.05487	0.2
57.03436	1.6
57.63742	0.1
59.04990	0.1
61.02916	0.4
61.61440	0.1
62.34387	0.1
69.03441	0.9
70.06576	0.4
70.76772	0.2
71.01350	0.2
71.04998	8.4
72.08118	0.2
73.02906	0.4
75.04466	0.4
81.03412	0.5
83.04969	0.3
85.02909	12.3
86.09715	0.1
87.04462	0.3
89.21040	0.1
97.02897	1.1
99.04445	0.2
105.06985	0.1
107.04938	0.1
109.02876	0.3
110.09685	0.1
111.04434	0.3
120.08088	0.2
127.03915	0.7
127.82069	0.1
129.05492	2.6
129.10283	0.1
134.03627	0.2
135.04372	0.2
136.07654	0.1
137.02328	0.3
137.06012	0.7
138.06725	0.2
138.09116	0.2
139.03909	2.9
139.04921	0.2
145.04948	0.5
146.03642	0.4
147.06577	0.7
151.07552	0.2
153.01846	1.4
153.88503	0.1
162.03059	0.2
163.03903	0.2
165.01839	1.1
165.05421	1.0
166.08575	0.2
177.05431	0.2
183.02882	0.3
191.07014	0.6
194.02138	0.8
201.05452	0.2
213.05580	0.1
229.04933	0.2
230.05815	0.1
241.04953	0.3
242.05759	0.2
243.06645	0.3
245.04379	0.2
247.06006	0.1
257.04395	0.1
258.05338	0.3
259.06006	0.1
269.04471	0.6
270.05209	0.8
271.06000	1.5
272.06784	0.2
273.04022	0.2
274.31403	0.1
275.09177	0.3
285.03918	0.2
286.04800	0.2
287.05487	4.0
288.06259	0.2
297.03925	0.7
298.04733	1.8
299.05475	1.9
300.06174	0.6
301.03494	0.6
302.04257	0.6
302.07642	0.2
315.04987	13.0
316.05746	2.3
331.08124	100.0
332.08542	1.3
373.09174	0.2
454.10529	0.2
486.15622	0.1
493.13092	0.2
590.32935	0.1
607.18768	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80309	0.7
57.03439	2.7
58.15289	0.7
61.02924	1.1
65.03945	0.8
69.03438	9.2
70.06593	4.8
71.51749	1.2
72.04518	8.7
72.08152	6.6
78.04717	1.4
79.05489	1.2
79.71056	0.9
81.03413	1.9
83.24084	1.2
84.04478	1.1
84.08136	2.1
85.02911	12.1
86.06071	2.4
86.09712	2.4
87.04472	5.1
89.03954	0.8
89.10775	1.1
91.05493	13.7
97.02899	13.6
97.72222	0.9
98.06071	0.9
98.97661	0.8
106.04145	0.9
108.05702	1.0
109.02898	2.4
109.06529	0.9
110.02455	1.3
110.07167	2.1
115.03918	7.7
115.05419	1.0
116.04976	1.2
116.07132	1.3
117.05738	6.8
118.06551	1.8
119.04962	9.3
120.08081	1.6
120.24319	0.8
122.06059	0.9
123.04443	0.8
124.05228	15.8
126.05457	0.9
127.03953	2.2
128.04958	2.9
129.10242	1.3
130.06497	5.2
131.07339	1.8
132.08098	1.7
133.04988	6.4
134.08105	1.0
136.05206	3.3
136.07547	1.1
137.05986	97.9
142.06525	1.6
144.04465	1.2
145.05240	100.0
146.06024	61.8
146.07253	0.9
147.04419	1.6
150.05525	3.5
151.06200	1.8
152.07048	1.9
153.07886	4.2
154.08641	52.9
158.06027	21.8
159.06802	10.3
160.07596	5.6
162.07629	46.7
163.03928	4.3
164.07089	1.5
166.08684	1.3
167.07054	0.9
170.06030	1.1
172.03955	16.3
173.04738	25.9
174.05357	1.1
177.05548	2.9
182.08170	1.7
183.06635	0.9
184.07576	2.9
186.05508	1.0
187.06281	29.5
188.07074	16.3
188.08618	1.6
190.05008	14.9
191.05788	76.5
192.06525	2.6
192.08659	0.9
196.09735	1.7
197.08461	1.1
203.05838	2.4
211.06288	17.4
212.07077	4.9
214.04985	3.2
222.42354	0.8
224.07158	3.3
232.06068	1.4
233.06836	10.8
238.08784	0.8
241.07346	2.0
242.08163	1.8
251.13831	0.9
252.10109	1.1
253.07352	1.8
254.08199	1.1
256.05997	1.2
257.06827	3.3
262.08682	1.7
266.08130	2.5
269.06851	1.1
280.09717	4.1
285.12097	15.1
286.12891	7.4
290.10617	1.0
296.09103	1.6
299.07831	1.3
304.09613	1.2
308.09238	7.7
308.11969	1.9
310.07605	1.1
314.10010	1.2
322.10599	1.2
325.11551	1.1
326.10184	2.2
335.10046	1.1
343.12891	8.1
350.10236	3.9
352.10309	11.9
353.11099	34.5
367.12671	1.3
385.13892	4.3
409.13614	1.0
421.13748	1.2
469.16302	2.0
487.17105	3.1
505.18188	48.9
529.17230	0.9
547.19080	2.7
601.20691	1.6
610.43134	0.8
637.22375	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82287	0.3
53.03900	0.4
55.05473	0.7
55.18893	0.3
67.05449	1.6
69.03400	0.6
69.07015	0.5
75.27480	0.3
79.05469	0.9
81.03358	0.5
81.07080	2.3
85.23865	0.4
91.05429	0.9
93.06992	1.3
95.08590	1.8
98.21559	0.5
105.06998	0.9
107.08565	0.4
109.10134	0.7
111.04449	0.4
117.06967	0.6
119.08562	0.7
121.10115	0.6
124.42532	0.3
131.08499	1.0
133.10124	0.7
143.08513	0.5
161.13208	0.6
169.07526	0.4
195.09084	0.4
208.09930	0.5
209.10800	0.5
221.10648	0.4
249.10098	0.5
351.22903	0.3
362.15625	0.4
369.24289	0.9
373.15103	0.6
375.16766	0.5
376.17648	0.5
377.17648	0.9
378.18497	0.8
385.14822	0.8
386.15625	1.0
387.16290	0.9
387.25110	0.8
389.17889	0.5
391.19305	1.7
392.19968	0.9
393.20895	2.0
398.16348	0.6
399.16174	1.5
400.16959	2.9
401.17871	3.6
402.18781	1.1
403.19785	0.5
405.21039	0.7
405.26196	0.7
407.22379	2.4
410.15933	0.5
412.17914	0.6
413.17868	2.7
414.18539	4.7
415.19391	8.4
416.19989	1.3
417.20953	1.2
419.18576	0.7
420.19504	0.5
421.20309	2.4
425.17715	1.5
427.19766	1.8
428.20581	3.2
429.15897	0.8
429.21362	7.6
430.21854	2.3
431.18475	0.6
435.21497	1.9
439.19055	1.2
441.17264	1.5
442.17563	2.3
443.18286	3.5
443.22604	4.4
444.18619	4.1
445.20480	2.8
446.20963	0.7
447.18066	0.7
455.19131	0.8
456.19241	1.7
457.20554	5.6
458.21335	4.4
459.18320	0.6
461.19125	0.6
463.20923	0.6
469.16541	0.4
471.22296	7.1
472.23325	4.7
473.19446	4.4
474.20319	1.2
475.21906	0.6
483.18439	0.5
484.18936	1.1
485.20029	3.1
486.20520	6.2
487.21384	3.4
488.22360	1.0
489.22974	1.2
490.19559	2.7
498.20724	0.7
499.21326	10.9
500.22937	3.4
501.19940	0.7
502.19748	0.8
503.24921	3.9
513.19171	1.5
514.19873	1.1
516.21649	1.4
517.22278	3.8
518.23346	0.4
521.25946	0.8
527.20758	3.1
528.21802	1.0
530.23212	0.5
531.23962	13.3
532.24286	0.6
543.23901	1.6
544.21967	0.5
545.22119	0.9
549.25146	0.7
559.23438	87.7
560.23712	1.7
587.22870	14.5
591.25366	0.5
605.24188	0.4
619.25531	100.0
620.25952	1.9
620.35553	0.5
637.26624	16.0
637.43054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05490	0.8
57.03426	2.7
60.04508	0.9
60.58721	0.5
61.02907	0.6
62.86378	0.6
66.91817	0.5
69.03093	0.9
69.03432	12.6
70.06573	2.6
71.31017	1.1
72.04488	2.1
72.08152	3.4
73.02892	0.7
79.05494	0.9
80.04994	1.2
81.03400	2.1
83.04965	0.7
84.04498	1.2
85.02442	0.7
85.02901	10.4
87.04470	4.6
89.10773	1.3
91.05468	3.4
96.04482	4.2
97.02892	6.4
106.06525	2.7
107.04961	0.8
109.02905	0.8
110.02336	0.5
110.06045	0.8
115.03928	2.5
116.07033	0.6
117.03344	0.8
118.06525	2.7
119.04926	1.5
119.12979	0.5
120.68711	0.6
122.06008	1.2
123.04435	1.9
124.03976	1.2
126.05516	1.2
127.03904	1.2
128.04951	2.4
130.06523	2.4
131.04988	0.6
132.04457	3.6
132.08089	1.7
133.02823	0.6
134.06006	1.4
135.04413	0.9
137.05978	22.5
138.05460	0.6
140.07077	0.7
142.06544	1.4
145.02847	1.6
145.05232	1.3
146.06009	81.2
147.04408	0.9
148.03970	1.0
149.04785	0.7
149.05963	0.9
150.05521	6.5
152.07082	1.3
154.08615	2.9
158.06047	5.5
159.06770	1.1
160.07584	5.4
161.05937	1.3
162.05505	1.8
163.03897	10.0
164.07071	1.9
166.08640	2.1
170.06001	0.7
172.03986	1.0
174.05458	1.2
176.07072	1.9
177.05498	2.3
178.08670	1.6
184.07555	0.8
188.07069	16.2
188.08781	0.8
190.05035	3.9
191.05821	1.5
192.06517	0.7
194.04500	1.6
194.08110	1.4
196.09691	4.6
200.07188	0.9
201.07866	1.0
202.08673	0.9
206.09618	0.6
212.07106	1.6
213.07848	0.6
216.08324	0.7
218.05708	0.6
220.07623	0.9
222.09178	1.2
224.07117	0.9
232.06090	1.3
232.09712	2.3
234.09175	2.5
236.07178	0.9
237.07898	1.2
238.08675	4.3
239.09390	5.9
240.10139	0.8
244.55695	0.6
246.09373	0.7
248.07082	0.6
249.07858	4.7
250.08566	3.5
251.05791	1.2
251.09555	0.6
251.13863	0.7
252.06586	10.4
252.10172	5.3
254.08150	0.9
254.11967	0.7
255.08965	1.5
255.11348	0.7
261.73029	0.6
262.08606	4.4
262.10959	0.8
264.10239	5.2
265.07324	3.5
266.08102	16.1
266.10834	0.9
267.08902	39.1
268.09579	0.9
269.08975	0.7
278.08109	1.4
279.08817	1.4
280.09503	7.6
280.12326	1.2
282.11377	1.1
284.11639	1.8
290.08112	3.7
291.08655	1.2
294.07635	1.0
297.08905	1.3
297.12347	1.8
299.10452	0.8
308.09119	13.3
308.12360	0.8
309.09967	4.4
322.10712	0.9
325.11710	1.5
326.10107	11.8
343.09219	2.3
343.12881	20.4
350.10333	1.4
353.11435	1.4
362.12692	2.0
367.12891	0.8
368.11224	1.8
385.13919	13.3
389.09760	28.1
392.13788	0.9
411.13278	0.7
415.12869	1.1
421.13931	9.0
427.14789	0.9
433.14197	1.1
439.15106	1.9
443.96851	0.7
451.15070	2.5
469.16061	14.2
487.17139	6.7
505.18167	100.0
506.18713	1.3
517.18475	1.6
547.19177	12.7
593.16248	2.9
601.20251	3.5
619.21289	0.8
637.15326	5.1
637.22888	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.14862	0.9
55.05508	2.4
57.03437	1.2
67.05151	1.1
67.05505	8.7
69.07064	3.2
69.30501	8.8
79.05501	6.3
81.07068	5.1
83.04948	1.1
83.08609	1.3
85.02885	3.7
86.09695	1.0
91.05470	5.4
93.07052	7.5
95.04966	8.0
95.08609	17.6
97.06512	2.4
97.10175	1.4
105.07035	7.7
107.04942	0.9
107.08595	22.7
109.06512	2.9
109.09517	1.3
109.10151	7.9
117.06989	1.9
117.30406	1.0
119.08597	6.7
121.06529	4.8
121.10182	5.6
123.08084	5.9
123.11719	3.3
125.09649	8.0
129.07031	1.1
130.25156	1.0
131.08560	6.9
133.10136	6.3
135.08054	1.4
135.11682	4.4
137.09653	1.5
141.07039	1.2
142.31244	1.0
143.08569	3.6
145.10114	11.3
147.08031	1.5
147.11674	4.1
149.09613	2.4
149.13243	1.7
151.11182	42.5
153.12737	3.4
155.08566	2.2
157.10149	3.2
159.08051	1.2
159.11717	2.9
161.09601	2.4
161.13264	2.4
163.11174	2.6
163.14873	2.0
166.03868	1.0
169.10123	2.2
169.12323	1.6
171.08069	1.2
171.11690	3.2
173.09644	3.4
173.13274	6.8
175.11156	4.3
175.14870	2.0
177.05411	1.4
177.12769	1.3
177.43626	1.1
187.11119	1.4
189.12697	2.2
191.14317	39.0
197.13203	1.2
199.14920	2.1
201.12767	2.1
201.16266	1.1
209.13312	1.7
215.14314	1.8
219.13809	3.7
220.49207	1.0
221.13226	1.2
225.16330	0.9
227.14447	1.2
267.17410	2.3
269.19031	2.1
285.18307	1.9
287.19940	3.1
295.20627	3.1
303.19672	2.0
313.21539	3.9
323.19843	1.2
331.22482	1.7
341.21024	3.0
431.57700	1.1
437.30588	12.5
455.31580	100.0
456.31955	1.9
473.14661	1.2
473.32629	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	635.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05502	3.7
57.03444	1.1
67.05502	7.1
69.03425	1.9
69.07060	3.1
69.59754	5.5
76.16237	1.0
78.69620	1.2
79.05479	4.3
81.07050	5.8
83.04990	1.3
84.93430	1.0
85.02890	3.4
85.06500	1.3
91.05493	6.4
93.07048	10.8
95.04969	8.2
95.08612	19.8
97.06514	2.3
97.10124	1.3
98.20718	1.6
105.07026	6.9
107.08604	23.0
109.06522	2.3
109.10166	7.2
117.06992	1.8
119.08611	5.5
121.06519	3.0
121.10143	7.4
123.08065	6.8
123.11693	4.8
124.44487	1.2
125.09626	7.3
128.11180	1.2
129.06999	1.7
131.08572	6.2
133.10155	8.0
135.08043	2.3
135.11682	4.7
135.40828	1.3
137.09593	2.0
140.58400	1.1
143.08577	4.2
145.06560	1.1
145.10120	11.6
147.11688	4.1
149.13258	2.4
151.11186	46.0
153.12799	2.7
155.08542	2.6
157.10139	3.3
159.08136	1.8
159.11703	4.4
161.09641	2.7
161.13251	2.8
163.11174	1.7
169.10056	1.2
171.11731	2.4
173.09634	4.2
173.13263	5.1
175.11212	4.6
175.14810	2.3
185.13234	1.1
187.14864	1.0
189.12758	4.5
189.16296	1.2
191.14310	39.4
195.11641	1.1
197.13269	2.0
199.14726	1.9
201.12817	2.3
203.14346	1.4
207.11806	1.2
209.13237	2.7
215.14238	1.1
217.15942	1.1
219.13791	4.7
221.13344	1.1
227.14281	2.1
233.15498	1.2
267.17487	2.7
285.18530	2.4
287.20081	2.5
295.20612	2.6
303.19171	1.9
313.21494	5.6
331.22675	3.4
341.21045	3.8
419.29419	1.6
437.30597	13.5
455.31583	100.0
456.31586	1.7
473.32654	41.2
571.79431	1.2
579.02539	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.2
57.92441	0.2
58.27428	0.2
69.03421	0.6
70.06602	1.8
70.31668	0.5
70.32046	0.6
72.08175	2.1
78.61108	0.2
79.05518	0.2
80.05013	1.1
81.03407	0.3
84.04498	0.5
84.08129	0.7
85.02907	1.4
86.09696	0.7
89.03927	0.3
94.06570	4.2
95.07359	5.1
97.02902	0.6
102.05508	0.3
107.04951	0.4
108.04476	1.2
109.02838	0.3
110.06074	0.4
111.04441	0.3
115.05473	0.3
117.03344	0.3
118.06535	0.3
120.08141	0.3
122.06037	22.2
123.06825	11.6
124.07615	1.1
124.96421	0.2
127.03970	0.4
129.10281	0.5
130.06526	0.8
132.08112	1.0
133.02863	0.3
133.05167	0.3
134.06082	0.5
136.07568	0.4
142.06544	0.8
145.02841	0.7
145.05254	0.3
146.06015	3.7
150.05513	100.0
151.06293	64.0
152.07069	6.2
153.05499	1.0
158.05952	0.7
159.06819	0.4
160.07611	3.4
163.03932	0.8
164.04216	0.3
167.07024	0.4
170.06010	0.7
172.03989	1.0
174.05521	0.4
177.05487	1.1
188.07095	9.7
188.08804	0.5
192.06511	0.5
203.03506	0.3
214.04982	1.8
216.06621	0.5
234.07671	0.6
249.05409	0.3
295.10791	0.3
296.09201	0.6
303.05112	0.5
303.08789	0.3
309.07538	1.2
311.09299	0.5
323.10385	0.7
338.10107	0.6
341.11325	1.9
365.11389	1.5
377.02286	0.3
383.12402	44.1
384.12372	0.3
425.17154	0.7
468.31870	0.3
485.15765	0.7
503.16650	29.7
504.16989	0.4
635.23859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.2
51.32770	0.1
53.03935	0.2
55.01883	0.2
62.01582	0.3
63.02344	0.8
67.05504	0.2
69.03428	1.2
69.79627	0.9
70.06596	1.1
71.04985	0.1
75.04466	0.2
78.04715	0.4
79.05490	0.5
81.03412	0.6
81.07034	0.2
84.04485	0.2
84.08164	0.3
85.02905	0.3
86.06071	9.0
86.09701	0.6
87.04472	0.6
89.03916	10.0
91.05481	0.7
93.07054	0.3
95.04948	0.3
97.02913	0.5
97.95213	0.1
98.21405	0.2
103.05479	0.5
104.07098	0.6
105.06999	0.2
106.04179	0.6
106.21395	0.1
107.04942	0.9
110.07201	0.2
111.04458	0.4
111.08057	0.2
116.07169	0.2
117.03381	23.3
119.04940	0.2
119.08582	0.3
120.08112	0.2
121.06461	0.2
124.05261	0.1
129.05510	0.4
129.10278	0.3
134.03618	1.4
135.04416	7.5
136.07539	0.2
137.05960	0.2
145.02847	55.1
146.03185	0.3
147.04359	0.2
149.04799	0.3
149.05981	6.7
158.06030	0.3
162.03195	0.3
163.03906	30.2
164.04259	0.2
175.06059	0.6
176.11678	0.1
177.05470	100.0
178.05919	0.4
186.05510	1.1
235.66054	0.1
248.09131	0.3
260.11304	0.8
266.10226	0.5
276.67706	0.1
278.12354	6.2
296.13486	0.2
351.10754	0.6
369.11829	0.9
422.14398	0.2
436.15793	0.2
440.15613	2.3
453.29453	0.2
454.17102	11.3
471.31161	0.2
472.18082	1.4
472.31161	0.4
496.33755	0.2
616.20721	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33916	1.0
55.05511	7.5
55.52700	1.1
57.07084	2.2
67.05502	6.1
69.07069	8.5
70.06590	1.3
79.05486	4.2
81.07059	15.9
83.08616	6.0
85.02884	1.6
91.05469	5.9
93.07043	16.0
95.04940	2.0
95.08611	35.3
97.02911	1.6
97.10164	2.8
98.09048	1.2
103.05470	1.3
105.07025	14.1
107.08598	29.5
109.06541	1.2
109.09479	1.8
109.10162	23.9
111.11741	2.0
119.08591	25.7
121.06532	6.5
121.10149	24.3
123.11729	7.1
125.09608	2.9
131.08615	2.5
133.10143	17.6
135.11707	18.1
137.13286	3.2
143.08592	1.2
145.02864	2.4
145.10156	4.8
147.11696	14.8
149.13252	10.3
150.21162	1.2
151.11070	1.6
151.17174	1.1
153.09042	2.4
157.10030	1.2
159.11691	3.4
161.13254	10.2
163.14835	10.2
165.12700	1.6
167.10689	2.0
173.13223	2.2
175.14828	7.9
177.05565	2.7
177.16399	6.2
181.12239	1.4
181.87239	1.3
187.14824	4.7
189.14778	0.7
189.16386	25.3
191.17961	100.0
192.18297	1.2
193.12238	1.5
195.11951	1.1
201.16368	8.8
203.17975	71.5
205.19553	9.9
207.17487	1.3
215.17828	2.2
217.19507	7.2
221.15182	1.2
221.19080	3.3
231.17513	3.0
231.21193	2.9
235.16910	2.5
247.16936	4.4
249.18512	22.8
285.18604	1.4
301.17984	8.7
393.35272	4.0
411.36160	4.5
439.35748	48.3
440.36203	1.7
453.29846	1.9
471.31058	9.9
565.96564	1.5
633.37231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3998
Annotation	soyasapogenol E monoglucuronide
Peak:m/z	Relative Intensity
55.05516	8.5
57.07078	1.7
58.16946	1.2
62.03138	1.1
67.05506	7.5
67.23008	1.2
69.07079	9.7
70.90507	3.0
79.05494	4.6
81.07069	15.6
83.08620	5.5
91.05466	4.1
93.07051	13.4
95.08615	40.6
96.69940	1.3
97.10184	3.8
105.06379	1.9
105.07035	12.9
107.08600	26.4
109.10162	21.5
117.07069	1.9
119.08597	23.7
121.10153	26.7
122.32067	1.2
123.11699	7.1
131.08617	1.7
133.10149	22.3
135.11702	21.4
137.13251	2.4
141.01868	1.8
145.10168	4.1
147.11697	23.9
149.13277	10.5
153.09120	3.5
159.11723	4.6
161.13274	10.9
163.14815	10.1
167.10699	2.9
168.04170	1.4
173.13206	2.2
175.14836	8.4
177.16394	5.2
184.81773	1.2
187.14795	4.0
189.16400	30.7
191.17960	100.0
192.18378	3.4
201.16350	8.9
203.17972	74.8
204.18294	1.7
205.19531	9.8
209.18674	1.4
215.18024	3.6
217.19521	7.8
229.19662	1.5
231.17406	1.5
231.21043	3.0
235.16969	3.6
245.22581	1.4
247.16985	5.3
249.18498	19.7
393.35156	5.0
411.36292	4.2
439.35721	56.7
440.36011	3.0
501.59882	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33916	1.0
55.05511	7.5
55.52700	1.1
57.07084	2.2
67.05502	6.1
69.07069	8.5
70.06590	1.3
79.05486	4.2
81.07059	15.9
83.08616	6.0
85.02884	1.6
91.05469	5.9
93.07043	16.0
95.04940	2.0
95.08611	35.3
97.02911	1.6
97.10164	2.8
98.09048	1.2
103.05470	1.3
105.07025	14.1
107.08598	29.5
109.06541	1.2
109.09479	1.8
109.10162	23.9
111.11741	2.0
119.08591	25.7
121.06532	6.5
121.10149	24.3
123.11729	7.1
125.09608	2.9
131.08615	2.5
133.10143	17.6
135.11707	18.1
137.13286	3.2
143.08592	1.2
145.02864	2.4
145.10156	4.8
147.11696	14.8
149.13252	10.3
150.21162	1.2
151.11070	1.6
151.17174	1.1
153.09042	2.4
157.10030	1.2
159.11691	3.4
161.13254	10.2
163.14835	10.2
165.12700	1.6
167.10689	2.0
173.13223	2.2
175.14828	7.9
177.05565	2.7
177.16399	6.2
181.12239	1.4
181.87239	1.3
187.14824	4.7
189.14778	0.7
189.16386	25.3
191.17961	100.0
192.18297	1.2
193.12238	1.5
195.11951	1.1
201.16368	8.8
203.17975	71.5
205.19553	9.9
207.17487	1.3
215.17828	2.2
217.19507	7.2
221.15182	1.2
221.19080	3.3
231.17513	3.0
231.21193	2.9
235.16910	2.5
247.16936	4.4
249.18512	22.8
285.18604	1.4
301.17984	8.7
393.35272	4.0
411.36160	4.5
439.35748	48.3
440.36203	1.7
453.29846	1.9
471.31058	9.9
565.96564	1.5
633.37231	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05515	5.0
57.03436	1.2
65.03953	0.9
65.94851	1.1
67.05184	1.2
67.05509	12.2
69.03416	2.7
69.07056	4.2
70.06609	7.5
70.70486	2.2
70.70827	1.3
71.04987	1.7
72.08149	2.9
79.05504	7.4
81.03419	11.9
81.07062	10.3
83.04983	1.1
83.08626	5.0
84.08134	3.7
85.02911	6.5
85.06553	1.6
86.09696	4.6
91.05480	8.3
93.07050	12.8
95.04972	7.9
95.08615	22.4
97.02873	2.2
97.06519	5.0
103.05453	1.0
105.03428	0.9
105.07021	10.9
107.04949	2.2
107.08600	8.4
109.06520	4.1
109.10162	7.3
110.07136	1.9
110.88836	0.9
111.08083	3.2
116.16039	1.0
117.03339	1.4
117.07004	2.0
119.04954	2.5
119.08572	7.3
120.08086	2.2
121.06505	3.9
121.10161	6.6
123.08075	27.1
123.11666	2.0
125.06004	1.1
125.09612	1.6
127.03901	1.5
129.06973	1.4
129.10225	1.9
131.08563	6.1
133.06512	1.5
133.10130	6.2
135.08025	1.5
135.11676	2.4
136.07501	1.1
137.06000	1.6
137.09601	2.7
141.06998	2.3
142.36014	1.0
143.08565	7.6
145.02811	3.9
145.10112	7.8
147.04446	1.2
147.07999	3.6
147.11674	4.4
149.09613	12.9
151.07599	1.3
151.11128	2.5
155.08585	3.2
157.10094	4.8
159.08047	1.9
159.11697	2.7
161.09593	3.1
163.03854	1.3
163.11229	1.3
165.09105	1.4
167.07069	2.0
167.08447	1.3
167.10666	7.8
169.10069	2.5
171.07990	2.0
171.11667	3.3
173.09598	4.5
173.13237	5.1
175.11166	3.8
177.05453	8.2
179.08507	2.0
181.04857	2.0
181.10103	2.2
182.10875	1.2
183.11710	3.5
185.09572	1.4
185.13217	1.5
187.11169	2.0
187.14757	1.4
191.10703	1.1
193.10231	2.0
193.12222	1.4
195.11705	3.0
197.09624	1.8
197.13248	3.8
199.11174	2.5
199.14787	2.1
201.12706	2.1
207.06487	2.0
207.11737	1.7
209.13234	4.8
210.13814	1.3
211.11095	1.8
211.14792	2.4
213.12637	1.2
215.14272	3.3
219.11656	1.2
220.12550	1.2
221.13220	2.3
223.11218	1.5
223.14810	1.9
225.12701	2.2
225.16289	1.3
227.14380	2.0
233.13214	1.4
233.15387	2.7
235.14812	2.1
237.16406	2.1
239.17976	5.4
241.15982	1.2
242.00552	1.1
245.13208	1.4
247.14769	1.1
249.16368	3.1
253.16083	2.3
257.19043	1.6
261.16113	1.1
265.15787	3.2
267.17426	19.7
268.18106	1.8
269.18793	1.6
271.16809	1.5
277.19687	1.3
283.16931	7.3
285.18497	100.0
286.19257	5.1
287.19992	4.6
295.20526	2.8
297.18600	1.7
311.20032	2.8
313.21564	7.2
315.23163	1.7
319.20645	1.5
325.21725	1.3
341.20929	1.5
345.20615	2.1
399.26862	2.4
407.29315	1.1
417.27859	7.6
435.28949	35.6
453.29977	73.9
454.30316	1.1
471.31079	15.3
528.16394	1.7
552.17151	1.7
633.45062	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61288	0.2
56.05029	0.3
56.93150	0.2
60.04519	0.4
64.79585	0.2
69.03442	0.2
69.07070	0.4
70.06599	2.2
71.04990	0.2
71.51295	0.3
72.08155	1.3
81.03429	0.3
84.04494	1.1
84.08151	0.8
85.02912	0.8
85.06577	0.4
86.09708	100.0
87.10046	0.5
91.05463	0.2
93.86206	0.2
97.02882	0.3
102.05515	0.4
110.07194	0.3
115.22014	0.2
117.03393	0.3
120.08073	0.3
129.10242	0.4
132.10202	4.2
137.06000	0.2
143.11821	0.3
145.02852	0.5
147.26909	0.2
163.03935	2.3
164.04201	0.2
177.05472	0.6
197.12834	0.3
199.18094	1.9
201.21878	0.2
209.11694	0.2
220.09863	0.3
222.59053	0.2
223.87375	0.2
227.12828	0.5
227.17509	0.5
228.13168	0.3
234.11089	0.2
243.13411	0.3
244.13770	0.3
245.18611	63.0
246.18924	0.6
258.28442	0.2
278.94110	0.2
361.03961	0.2
551.96344	0.2
597.19495	0.3
600.95990	0.2
633.29706	1.2
635.49268	0.2
648.92755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.66557	0.4
55.01853	0.7
55.05506	0.5
64.61718	0.4
69.03085	0.7
69.03433	9.1
70.06598	5.6
72.08142	1.8
75.04468	0.6
81.03412	1.3
82.06602	0.6
84.04487	1.1
84.08148	2.8
85.02905	1.1
86.09710	2.9
87.04480	2.7
89.03925	8.9
91.05475	1.5
97.02890	1.2
103.05456	0.7
106.04163	0.6
107.04955	0.6
108.04479	1.6
109.10168	0.6
110.07169	1.1
111.04438	0.9
112.08643	0.5
115.42088	0.4
117.03386	28.8
117.42207	0.4
120.08130	0.6
121.06532	0.6
129.05528	0.5
129.10228	1.1
130.06537	0.8
131.04852	0.5
134.03624	1.9
135.04408	1.2
135.06783	1.8
137.06000	1.1
145.02855	76.8
147.04416	1.7
148.07599	2.2
149.05986	8.7
150.95859	0.4
160.07590	0.6
161.05946	0.5
163.03932	3.0
167.07053	1.3
176.07014	1.4
177.05478	91.9
178.04994	40.1
179.05357	0.5
184.75160	0.5
186.05484	1.6
190.04982	1.7
200.07085	0.6
203.07060	1.1
204.06546	0.9
218.08144	1.3
220.09695	0.7
228.26180	0.4
232.09901	0.4
245.09331	0.5
246.07634	55.7
247.08067	0.5
249.07658	0.6
251.07022	0.5
264.08691	28.3
290.74109	0.4
309.07648	0.8
311.09161	1.0
318.09525	0.4
337.07010	0.9
369.11905	3.0
379.06641	0.5
438.14029	1.9
456.15042	5.2
487.92587	0.5
605.76361	0.6
614.18524	6.0
632.19745	100.0
633.20111	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96450	8.5
56.96769	3.6
64.96408	0.3
65.74727	0.3
71.52972	0.5
71.95132	1.7
72.95937	0.7
72.96291	0.4
79.05390	0.4
80.68494	0.3
81.06956	0.4
84.95899	1.2
91.05385	0.4
91.81290	0.3
95.08503	0.6
97.96679	0.7
98.97484	0.4
105.00082	0.5
110.97567	3.5
112.98994	0.4
119.08504	0.4
123.01128	0.4
128.98618	4.1
133.98784	0.4
137.02638	0.5
143.00128	0.6
146.02657	0.3
146.99670	2.7
160.70300	0.3
169.05345	0.5
171.03224	0.6
185.04750	0.7
189.04231	0.7
190.04997	0.4
193.08833	0.4
199.06358	0.5
203.05751	0.8
205.07289	0.5
208.06282	0.3
224.07043	0.4
233.43922	0.3
235.06473	0.3
249.07895	0.5
259.09903	0.5
263.09464	1.4
277.11154	1.9
291.12646	0.7
295.12091	0.4
315.16150	0.8
317.17871	46.3
333.17374	2.0
335.18939	100.0
336.19247	1.5
349.20532	0.4
353.20029	18.9
358.20551	21.8
359.20834	0.8
371.21185	0.5
376.21634	4.3
399.23331	1.0
410.51965	0.4
466.10901	0.3
516.14276	0.4
595.40356	6.2
613.42773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.05510	3.9
59.04147	0.8
67.05510	8.7
69.03429	2.8
69.07066	2.4
69.13526	0.9
71.04992	2.5
72.56679	0.8
78.13171	0.9
79.05511	6.0
81.03418	3.4
81.07066	7.9
83.08646	1.3
85.02917	2.2
85.06553	2.1
91.05473	5.5
93.07043	7.7
95.08615	21.7
97.06540	5.8
99.08124	1.0
103.05495	1.0
104.10722	1.6
105.07030	10.9
107.08585	7.8
109.06461	1.1
109.10165	4.0
117.07005	2.5
119.08559	5.9
121.10139	9.7
123.08046	1.5
123.11717	1.8
127.03962	1.4
129.07025	2.1
131.08554	7.2
133.10138	100.0
135.08061	1.7
135.11699	3.5
137.09555	1.3
143.08598	3.3
145.10107	4.7
147.08104	1.1
147.11716	3.7
149.09642	8.6
149.13278	2.3
151.11168	2.0
154.40938	1.0
155.08568	1.3
157.10118	1.8
158.10963	2.8
159.11703	2.5
161.13284	2.2
163.14841	3.2
171.11719	1.6
173.13272	25.7
174.99036	1.0
175.14861	3.4
185.09697	0.9
185.13309	1.0
191.14330	17.7
209.15382	5.8
213.16400	0.8
229.42912	1.0
253.87741	1.1
257.99643	0.9
261.22275	1.5
279.81876	0.9
546.34790	2.6
554.08875	1.0
555.23022	2.0
631.37128	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91346	0.7
53.01942	0.6
53.03949	0.8
54.40754	0.6
55.01867	0.8
55.05508	0.8
56.05038	2.4
57.03437	1.2
57.07077	1.4
61.02920	0.8
67.05508	6.1
69.03433	1.0
69.07075	2.2
70.06595	5.1
70.33534	1.9
70.33929	1.5
71.05002	5.1
71.34486	0.7
72.08163	2.6
79.05495	6.0
81.07048	1.5
83.04980	1.6
84.04505	60.1
84.08144	2.4
85.02915	2.2
85.06548	36.1
85.06925	0.7
85.07076	0.8
86.09708	98.7
87.10055	0.7
87.25378	0.7
91.05486	4.1
93.07040	5.5
95.04999	0.8
97.02880	1.3
97.06561	0.7
99.08116	2.2
105.07055	4.2
107.04961	3.0
107.08607	7.1
109.06544	1.7
111.04462	4.9
113.07087	0.8
113.89567	0.6
117.07027	1.7
119.08585	5.7
120.08083	1.3
121.06531	4.1
121.10136	6.1
123.04411	0.9
123.08041	0.9
125.05980	2.0
127.03967	1.3
129.06578	4.9
129.10240	1.5
131.08572	21.5
132.10208	41.1
135.08028	0.9
135.11659	1.8
137.09602	1.5
141.05614	0.7
141.06601	3.7
145.10127	10.1
147.08043	1.9
149.05879	1.3
149.09618	19.3
149.10759	1.4
152.10657	1.0
153.05510	1.0
155.07060	1.2
156.06030	0.8
163.03876	1.2
163.07501	1.0
163.11171	8.7
165.09131	3.6
167.07019	1.8
167.10687	12.7
173.09584	2.1
177.05470	1.7
179.10693	1.1
191.08925	1.6
191.10670	25.9
197.12866	37.6
201.12288	0.9
209.11729	36.4
225.12328	3.0
227.12787	96.0
243.13409	100.0
245.18600	11.2
302.16992	0.9
308.42261	0.7
353.71802	1.0
356.12811	0.7
378.93246	0.8
400.42670	0.8
631.23798	0.8
631.34521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05509	14.6
57.03442	2.2
57.07062	4.4
62.34956	1.2
65.03940	1.7
67.05504	16.4
69.03460	1.3
69.07065	21.8
69.60551	7.7
71.01327	1.8
73.02895	3.7
79.05494	14.0
81.07055	39.0
83.08609	11.2
85.02901	16.7
91.05478	22.6
93.07047	34.1
95.01320	14.5
95.05000	1.7
95.08607	84.4
97.06522	1.4
97.10162	4.2
98.21465	2.6
99.00817	1.3
105.07029	45.9
107.08597	57.7
109.10155	49.2
111.08097	2.1
111.11651	1.5
113.02360	7.4
117.07019	7.4
119.05052	1.2
119.08584	100.0
121.06491	1.6
121.10144	49.6
123.08076	1.8
123.11711	15.2
125.06061	1.7
129.07024	2.8
131.03406	3.5
131.08568	24.8
133.10135	71.5
135.11694	40.5
137.05969	2.2
137.13255	10.1
141.01833	20.1
142.07758	1.5
143.08521	7.0
144.09314	2.5
145.10120	56.7
147.11687	44.1
149.13284	19.0
151.14801	2.7
153.09157	1.8
157.10130	5.7
158.10887	2.3
159.02850	3.7
159.08124	1.4
159.11688	42.5
160.12428	2.7
161.13251	36.5
163.07562	2.9
163.11166	1.7
163.14828	27.6
164.11270	1.2
165.09142	1.7
169.10170	3.4
171.11681	8.7
173.09726	1.7
173.13272	23.2
175.14825	28.8
177.09113	2.8
177.16377	19.2
179.10667	1.9
179.14319	2.8
183.11691	3.8
185.13281	7.5
187.14822	84.7
189.16382	80.4
191.10680	2.7
191.17946	88.8
193.12183	2.5
193.15982	2.1
197.13385	2.0
199.14822	7.7
201.16377	90.5
203.17957	66.8
205.12148	2.1
205.19563	5.2
207.13864	5.8
207.17471	5.1
211.14767	2.8
213.16409	14.8
215.17961	31.8
217.19495	11.6
219.13806	2.8
219.17451	7.0
219.21092	3.6
221.15283	7.7
221.18852	3.3
223.16922	1.8
225.16374	2.5
227.17905	8.2
229.15862	3.7
229.19484	19.4
231.13762	2.1
231.21089	1.8
233.15335	8.8
233.18973	2.7
235.16919	2.5
239.17920	3.6
241.19528	10.1
243.17371	1.6
243.21036	9.5
245.15381	2.5
247.16943	49.1
247.19534	3.0
249.18365	3.3
253.19565	4.8
255.21027	8.6
257.22650	3.7
259.16946	2.5
261.18488	12.9
267.21103	2.4
269.22623	2.4
273.18585	3.1
275.20047	5.0
281.22546	1.8
283.24289	2.0
287.20166	7.1
295.24289	2.6
299.20117	3.6
301.21600	4.2
303.22940	2.0
313.21548	1.9
317.06573	4.3
327.23041	2.5
341.24936	1.7
349.28854	1.6
353.24582	1.6
391.33582	28.0
393.35092	5.1
409.34497	6.1
437.34213	88.7
455.35098	3.8
585.36938	1.4
631.24017	5.7
631.38422	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	629.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.56067	0.3
67.05466	0.4
68.79669	0.4
69.54612	2.3
70.06556	1.1
71.18522	0.5
72.08127	0.5
79.05481	0.6
79.62737	0.3
81.03407	0.4
81.07004	0.3
84.08105	0.7
85.02874	0.5
86.09654	1.1
91.05439	1.0
93.07047	0.7
95.08585	0.5
98.20791	0.4
105.07017	0.8
107.04884	0.4
107.08588	0.3
117.03321	0.7
119.08567	0.4
120.08096	0.6
121.06489	0.7
121.10120	0.3
123.08085	0.4
137.05931	0.8
143.01877	0.6
145.02789	1.0
161.02907	1.4
167.07042	4.1
177.05420	1.5
181.05032	1.6
183.02725	0.4
187.05795	0.4
187.16768	0.3
190.72153	0.3
193.08659	0.5
201.05389	0.4
203.05257	2.0
215.05228	0.9
233.06328	0.7
296.08768	0.6
314.09784	2.1
355.18808	1.0
357.20508	0.6
373.19415	0.6
381.14728	0.5
431.20117	2.0
433.21729	0.8
449.21497	46.8
450.22180	0.5
451.23041	19.9
467.22598	2.3
535.25250	0.4
611.25555	0.4
629.27844	100.0
630.28259	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01875	6.9
55.05509	32.6
57.03427	6.4
57.07084	4.9
67.05511	64.7
69.03436	19.7
69.07077	27.8
71.05001	6.7
71.37952	8.3
75.04471	3.7
79.05493	42.5
81.03434	22.8
81.07059	64.1
83.04986	8.1
83.08620	10.4
85.02900	28.4
85.06561	5.3
91.05479	43.2
93.07044	59.9
95.04966	20.8
95.08607	50.9
97.02888	13.4
97.06514	10.5
97.10194	5.8
99.04458	5.7
105.07038	57.3
105.67857	4.1
107.04994	4.9
107.08611	46.2
109.02895	10.0
109.06516	36.5
109.10165	38.4
111.04406	4.8
115.05401	3.8
117.07011	27.2
117.79988	4.1
119.08579	62.2
121.06506	9.6
121.10162	34.2
123.08044	19.9
123.11729	12.6
127.03931	11.2
128.06242	7.7
129.07014	17.0
130.07803	5.0
131.08566	45.7
133.06514	7.4
133.10101	28.6
135.08066	38.0
135.11691	20.1
137.05914	4.7
137.09668	7.3
141.07057	6.4
142.07780	7.3
143.08551	30.3
145.06548	9.7
145.10107	44.6
147.08057	20.6
147.11696	33.8
149.09624	25.1
149.13243	11.7
151.07509	4.1
155.08562	12.8
156.09369	11.8
157.10109	30.9
158.10912	6.0
159.08069	31.3
159.11711	25.6
161.09636	13.3
161.13281	16.0
163.11194	17.2
165.12816	8.6
167.08578	6.9
169.10144	28.7
171.08038	6.7
171.11713	22.2
173.09619	21.9
173.13297	19.2
174.10374	4.6
175.11176	5.5
175.14809	6.7
179.08698	5.6
181.10150	14.3
183.11713	17.2
185.09700	14.2
185.13295	17.2
187.11165	11.3
187.14854	14.3
189.12715	47.7
191.14297	33.1
195.11749	13.1
197.13257	11.9
199.11235	11.4
199.14845	8.8
201.12781	9.7
201.16451	5.0
203.14249	5.2
207.11852	5.4
207.13797	76.8
209.13216	11.3
209.15244	5.7
211.14868	17.2
213.16299	7.3
215.14453	5.7
221.13313	6.5
223.14893	9.1
227.14426	9.2
229.15915	4.7
237.16255	4.7
251.17929	5.4
259.20691	4.8
261.21997	5.5
265.19550	7.2
277.21780	4.3
367.26315	7.5
385.23813	5.2
403.24756	6.9
405.26401	6.3
449.34137	9.4
467.35242	5.7
511.30774	7.6
529.31439	17.4
547.32684	100.0
553.35321	4.9
555.32928	4.5
573.34119	12.0
575.37396	5.3
593.38098	14.1
611.39618	37.2
629.40424	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	627.2704
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
51.11555	0.1
51.48181	0.1
53.03949	1.0
55.01867	0.3
55.05492	0.2
58.06879	0.1
66.51390	0.1
69.03455	0.2
69.07054	0.2
69.34499	0.3
69.34901	0.8
70.06574	0.1
72.08174	0.1
77.03942	0.4
77.39164	0.1
77.75072	0.1
79.05479	0.2
80.71126	0.1
81.03410	0.2
81.07062	0.2
83.04934	0.1
83.14188	0.1
84.08121	0.2
85.02901	0.2
86.09714	0.2
91.04919	0.2
91.05492	4.4
93.07052	7.6
94.04177	0.2
95.04993	1.1
103.05478	5.1
105.04533	0.7
105.07043	0.2
111.11699	0.1
115.05468	0.2
119.04963	0.2
121.06519	100.0
122.03685	0.4
122.06855	0.6
126.72807	0.1
137.05989	6.4
138.09157	0.5
140.49922	0.1
143.05011	0.2
145.02763	0.3
149.05992	0.2
159.03004	0.1
161.05914	0.2
164.07101	0.5
167.07053	2.5
173.06079	0.2
175.07649	0.2
177.05493	0.9
181.05009	0.6
187.14665	0.2
188.04657	0.3
191.18040	0.2
203.07069	1.6
205.06493	0.2
209.08121	0.5
217.04967	1.0
218.08147	44.3
219.08412	0.2
222.06650	0.2
233.05916	0.2
237.09209	0.2
247.17155	0.2
260.62497	0.2
262.39200	0.1
265.08661	0.5
272.10504	0.2
292.07071	0.2
293.08112	0.4
294.08780	0.2
297.11292	0.2
307.09546	0.2
312.09915	0.5
314.13925	0.3
325.10733	0.6
327.12274	0.5
353.10287	0.4
354.13245	0.6
355.16626	0.3
394.75104	0.1
417.15524	0.8
490.18640	1.9
583.30493	0.2
609.26367	0.4
627.27289	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.2
55.01867	0.3
56.29175	0.1
57.03424	0.5
61.02936	0.7
65.03934	0.3
67.05513	0.1
68.99783	0.7
69.03434	1.7
70.06593	0.7
71.04999	0.3
71.51231	0.2
72.08144	0.4
73.02917	0.3
75.04502	0.1
81.03433	0.7
84.08131	0.3
85.02911	8.7
86.09688	0.2
87.04484	0.1
87.21252	0.1
91.03953	0.5
91.05485	0.1
93.03410	0.4
95.04964	0.3
97.02894	2.5
99.04433	0.4
103.03947	0.1
108.82894	0.1
109.02881	1.2
110.07104	0.2
111.00815	1.0
111.04443	0.1
115.05399	0.1
116.07178	0.1
120.08074	0.4
121.02869	0.8
123.04424	0.4
123.95824	0.1
127.03928	2.7
129.10248	0.1
129.34686	0.1
131.04985	0.1
135.04472	0.2
137.02351	4.4
137.03415	0.3
145.04971	2.8
145.06229	0.2
149.02382	0.6
151.03940	0.1
153.01831	4.3
155.04910	0.2
161.05959	0.4
163.03925	1.0
163.06023	0.3
165.01845	2.1
165.97182	0.1
166.02643	0.2
167.07115	0.2
171.02992	0.2
173.06000	0.5
176.78316	0.1
177.05460	0.2
183.02895	1.0
183.04378	0.3
187.03932	0.4
195.02916	0.3
201.05463	1.6
205.05029	0.2
207.02907	0.1
211.03957	0.1
213.05414	0.2
219.03014	0.2
219.06485	0.2
228.04134	0.3
229.04971	4.5
239.03427	0.2
247.06024	0.9
257.04471	3.1
265.15497	0.1
272.76743	0.1
274.04852	0.9
275.05383	0.2
285.03979	1.2
302.04105	0.2
303.05002	100.0
304.05261	0.6
315.05014	0.5
345.06021	0.8
369.06082	0.3
447.09128	0.3
465.10330	5.2
579.86328	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	625.2545
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02375	0.6
53.03943	3.1
55.01870	0.5
55.46699	0.5
65.03942	0.8
67.05509	0.5
68.97752	0.4
70.06576	0.9
71.52113	0.5
77.03918	0.9
79.05487	0.6
79.59121	0.4
81.07040	0.6
84.08147	0.7
85.02886	0.6
86.09679	0.8
89.03933	0.5
91.05487	12.3
93.07050	16.8
95.04973	3.4
95.08608	0.6
103.05470	13.2
105.04509	1.8
105.07047	0.8
107.04963	1.0
115.05463	1.6
117.03364	0.9
117.06983	0.7
119.04994	0.8
121.06512	100.0
125.05976	0.9
130.04155	0.7
131.04979	0.7
136.07608	0.7
137.05995	8.5
139.89963	0.5
140.41190	0.5
141.03326	0.8
143.04987	2.7
143.05969	0.5
144.04341	0.5
145.02824	1.3
145.06479	1.2
145.99458	0.5
146.05995	0.6
149.05949	1.1
151.03926	1.6
151.07545	0.9
152.07069	6.3
160.05238	0.9
161.05963	0.6
162.06786	0.8
164.07053	1.8
167.07018	1.8
173.06073	1.0
175.07614	3.6
177.05469	2.1
177.07050	1.3
178.41519	0.5
181.04959	1.3
186.03146	1.9
189.05449	1.9
191.07082	1.3
194.07373	0.8
201.05429	35.8
203.07031	1.3
205.06483	3.7
206.08073	0.7
211.07660	0.5
221.06071	0.6
222.06772	2.6
226.05095	1.2
229.03601	0.6
233.05949	3.6
234.06769	0.9
235.07635	1.5
237.09128	7.4
239.07043	0.7
244.06061	5.7
248.04767	0.7
249.05571	0.9
250.06401	2.3
251.07018	1.0
263.07053	1.7
264.07727	0.7
265.05127	1.3
265.08606	10.2
267.06570	1.9
272.12836	11.3
276.04144	1.1
278.05655	0.8
279.06506	1.9
280.07455	1.3
282.08871	5.1
284.10422	0.7
287.03424	0.6
291.06552	3.3
292.07318	0.9
293.04468	1.5
293.08136	3.8
295.09662	1.3
297.11246	3.7
299.12762	0.8
307.09778	0.7
308.06812	3.7
310.08185	0.7
312.12271	0.8
319.06042	1.3
323.09204	7.8
325.10712	9.1
336.06094	0.6
338.13959	1.2
340.11777	0.7
351.08621	9.8
353.10153	0.7
364.11975	3.3
368.11292	2.8
414.75031	0.6
416.14661	1.0
460.17685	4.6
462.19144	18.2
488.17099	84.3
489.17563	1.7
625.25494	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	625.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68470	0.7
53.03920	1.1
54.41669	0.7
58.71924	0.5
60.32365	0.6
69.78188	0.6
71.12529	1.1
77.03938	0.7
91.05470	5.4
93.07061	5.1
95.04988	1.4
103.05455	3.7
103.54044	0.6
107.04991	0.9
115.05441	1.4
118.63883	0.7
119.04934	2.9
121.06510	33.9
131.74753	0.7
134.03600	0.7
135.04439	0.8
137.05977	8.0
137.54279	0.7
138.09174	3.8
143.04941	1.7
145.06512	0.9
147.04411	1.1
149.05991	2.6
150.06699	1.2
158.03690	0.7
161.05904	0.9
163.03969	2.0
164.07091	2.5
173.06001	1.9
175.03925	2.0
175.07558	2.5
176.06230	1.2
177.05614	0.8
177.06993	2.8
183.39195	0.7
186.03125	6.8
190.07845	0.6
191.08574	0.7
194.07242	3.0
195.10402	0.6
201.05452	16.2
201.07220	1.2
203.06955	0.9
204.05717	1.0
205.06512	10.6
206.07335	1.1
219.04628	0.8
219.08098	1.8
221.06017	2.9
221.09575	0.9
222.06754	6.7
227.07086	1.4
233.05971	13.3
234.06770	3.8
235.07529	1.6
236.04787	0.9
236.08344	1.2
237.05525	1.0
237.09109	8.9
239.07068	2.2
247.07542	3.1
248.04988	0.9
249.05498	4.5
250.06285	9.2
251.07130	1.9
253.08633	0.9
254.05748	0.7
261.05472	1.5
262.06351	1.2
263.07050	2.2
264.07886	5.8
265.05078	3.6
265.08624	18.2
266.09399	2.0
267.06604	1.8
275.07016	2.1
276.04111	0.7
277.04932	3.7
278.05740	5.6
279.06613	1.7
279.10159	2.7
280.07303	2.4
282.08966	3.4
291.06543	1.9
292.07291	18.3
293.04486	4.0
293.08017	21.6
295.06097	2.1
295.09567	1.1
297.11307	4.8
304.03690	1.1
307.09656	31.9
308.06775	17.2
308.10263	0.8
309.07397	1.3
310.08453	3.8
319.05988	2.1
323.09128	10.9
325.10718	100.0
326.10898	1.3
336.06293	4.1
351.02161	1.0
351.08658	39.5
462.19135	52.4
463.19479	0.8
488.17233	1.9
536.32336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2546
Annotation	(+-)-Grossamide
Peak:m/z	Relative Intensity
53.03951	1.0
55.01865	1.0
60.34679	0.3
69.97738	0.8
71.04999	0.7
77.03938	0.6
91.05489	6.7
93.07050	7.2
94.04182	0.3
95.04980	2.1
98.20586	0.3
103.05476	4.8
105.04501	0.5
105.07030	0.4
107.04964	0.7
115.05469	2.8
117.03349	0.5
117.07029	0.4
119.04946	1.9
119.05665	0.3
121.06509	38.9
123.04433	1.0
131.04997	0.3
133.02794	0.3
134.03610	0.9
135.04427	0.7
137.02373	0.6
137.05980	7.8
138.09154	6.2
138.10208	0.4
141.03418	0.3
143.04944	3.2
145.02821	0.5
145.06494	1.3
146.06035	0.6
147.04420	1.1
149.05984	1.9
150.06767	1.4
151.03911	0.9
152.07091	0.7
158.03658	1.5
159.04335	0.3
160.05258	0.5
161.05945	0.4
163.03946	0.3
164.07091	4.4
165.06973	0.6
170.89204	0.3
173.06009	3.7
175.03935	2.6
175.07562	2.3
176.06253	0.7
177.05482	1.5
177.07033	2.2
178.07613	0.4
179.08511	0.5
181.06564	0.3
184.95779	0.3
186.03127	7.3
187.03957	0.3
188.04533	0.3
189.05457	0.8
189.07091	0.9
191.07088	0.3
191.08598	0.6
193.06467	0.4
194.07272	2.3
195.08211	0.4
200.04669	0.4
201.05469	16.2
202.07808	0.6
203.07043	1.8
203.08704	0.4
204.05782	0.8
205.06502	12.0
205.08395	0.6
206.07303	0.6
207.08058	1.0
211.03888	0.3
211.07642	0.5
215.03372	0.4
217.06490	0.8
218.07399	0.5
219.04552	0.7
219.08095	2.2
220.05133	0.3
221.06001	4.1
221.09564	0.6
222.06744	6.8
223.07559	0.8
224.04765	0.4
226.06303	0.5
227.06993	1.5
231.08044	0.3
232.05255	0.7
233.05992	16.5
234.06763	3.7
235.07526	1.7
236.04681	0.6
236.08438	0.9
237.05409	0.9
237.09117	9.6
239.07071	2.0
239.10860	0.3
242.68774	0.3
247.07553	2.8
248.04761	0.8
248.08275	0.6
249.05466	4.7
249.09174	0.7
250.06268	12.3
251.07024	3.0
252.07802	0.6
253.05014	0.5
253.08557	0.7
254.05803	0.9
254.09293	0.7
260.04736	0.4
261.05511	2.7
262.06284	1.2
263.06979	2.5
264.07813	7.9
264.10651	0.4
265.05127	3.2
265.08600	20.4
266.09326	1.6
267.06561	2.9
267.09753	0.6
272.12949	1.1
275.06946	1.6
276.04193	1.2
276.07520	0.4
277.05011	2.9
277.08463	0.6
278.05762	7.2
279.06552	1.1
279.10193	2.9
280.07324	2.4
281.08115	0.8
282.08923	2.3
283.09488	0.5
291.06509	2.2
292.07303	21.4
293.04501	4.5
293.08008	21.9
294.08743	0.8
295.06021	2.4
295.09595	0.8
297.11209	3.3
299.12741	2.1
304.03769	1.0
307.09650	38.3
308.06796	16.1
309.07782	0.3
310.08337	3.4
311.80881	0.3
319.06042	1.7
321.03943	0.4
323.06097	0.3
323.09131	12.3
325.10712	100.0
326.11047	1.1
327.12219	0.4
333.07599	0.4
336.06320	4.7
338.13794	0.4
351.08649	56.0
352.08975	0.7
462.19119	43.4
463.19409	0.5
488.17053	3.5
551.19141	0.3
625.25513	6.5
632.94006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2547
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
52.33090	0.3
53.03956	2.0
55.01852	0.5
55.47724	0.3
56.48439	0.4
58.00243	0.3
65.03921	0.7
71.03126	0.5
75.90202	0.3
75.97804	0.3
77.03918	0.5
79.05488	0.4
81.03416	0.7
82.08018	0.3
91.05492	9.0
93.07052	15.2
95.04973	3.1
101.62054	0.3
102.04697	0.4
103.04819	0.6
103.05482	10.1
105.04498	1.2
117.06992	0.4
119.04958	0.7
120.97103	0.3
121.06517	97.1
122.06855	0.6
122.85838	0.3
123.04434	0.4
130.04185	0.4
135.04378	0.5
137.05957	0.4
141.03368	2.8
145.06429	0.9
146.05995	0.9
149.05986	0.5
164.07065	5.5
164.31723	0.4
173.05956	1.2
177.05534	0.5
179.07039	0.4
181.04951	0.5
186.03171	0.6
189.06967	0.6
191.07056	3.4
191.08617	0.6
194.07297	0.6
194.77354	0.3
201.05392	71.3
202.05818	0.6
205.06511	3.3
207.08138	0.7
209.09744	0.5
211.07561	0.7
219.08055	1.9
220.05191	3.2
221.05998	1.3
222.06767	3.0
233.05954	2.6
234.06738	2.8
235.07559	10.3
237.09125	11.7
239.07047	0.8
244.06017	2.4
247.07588	2.8
248.04720	3.2
248.06955	0.4
248.08208	0.4
249.05521	3.1
250.06250	4.1
251.06995	0.8
252.07793	0.5
254.09296	0.5
263.07068	14.9
264.07748	1.8
265.05121	2.1
265.08615	27.2
266.09409	1.7
267.06580	1.8
276.04126	0.8
279.10242	0.9
280.07346	6.1
282.08893	37.4
283.09027	0.5
291.06537	18.6
292.07391	0.6
293.04535	0.5
295.09689	1.6
297.11261	18.7
298.11752	0.3
299.09146	0.5
308.06750	2.9
308.09921	0.5
312.06122	0.4
313.10770	2.1
314.01984	0.4
323.09161	56.0
324.09518	0.7
325.11105	0.8
340.11688	0.7
351.08640	1.4
352.09143	0.6
353.09348	0.6
364.11853	14.8
416.15024	0.4
460.17612	55.1
461.18063	0.7
462.19196	0.8
488.17099	100.0
489.17502	1.7
625.25232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2543
Annotation	Cannabisin D
Peak:m/z	Relative Intensity
51.02383	0.4
53.03951	3.8
53.25972	0.4
55.01859	0.7
55.88659	0.4
64.42120	0.4
68.51384	0.5
70.51103	0.5
70.56431	0.7
70.56786	1.4
77.03930	0.8
89.03931	0.8
91.05484	11.2
93.07048	17.1
95.04967	2.8
103.05467	13.1
105.04501	1.3
115.05454	1.8
117.03409	1.6
117.06983	0.8
119.04956	1.3
120.05731	0.8
121.06509	100.0
122.06863	0.7
123.04494	0.7
124.05167	0.6
125.06004	1.2
133.02846	1.4
135.04372	0.6
137.05980	14.2
141.03389	0.8
143.04942	3.3
145.02823	4.9
145.06532	1.3
147.04491	0.9
149.05988	1.9
151.03925	1.6
152.07077	7.4
158.03676	1.1
160.05197	1.7
161.06006	1.0
162.06779	1.2
163.07559	1.1
164.07036	3.8
173.06007	2.1
175.03806	0.7
175.07530	4.3
177.05505	7.5
177.06937	0.7
186.03123	2.7
189.05466	3.3
191.07083	1.8
194.07281	0.9
201.05418	51.9
202.06013	0.6
203.07021	1.7
205.06393	5.6
211.07466	0.7
219.08131	0.8
220.05222	0.6
221.06067	1.1
222.06796	3.2
226.05122	0.9
233.06023	3.3
234.06796	1.1
234.13531	0.5
235.07623	2.7
237.09096	7.3
239.07057	0.7
244.06111	4.2
247.07678	0.8
248.04784	0.9
249.05586	1.1
250.06215	3.6
251.07155	0.8
263.07095	3.1
264.07870	1.9
265.05234	1.5
265.08612	12.8
265.11487	0.7
265.88434	0.5
266.09412	0.7
267.06549	2.0
267.09900	0.5
269.11658	0.7
272.12830	14.9
276.04208	1.4
278.05728	1.0
279.06628	1.1
279.10309	0.7
280.07257	1.6
282.08804	5.4
291.06458	4.3
292.07309	1.2
293.04819	1.0
293.08139	3.9
295.09579	0.8
297.11172	3.8
299.12781	1.5
307.09634	1.9
308.06818	4.2
309.07410	0.7
310.08170	1.2
315.29813	0.6
319.05676	0.6
323.09149	10.3
325.10730	10.9
338.13788	2.6
340.11810	0.8
351.08496	3.4
352.08810	0.9
353.10043	0.9
364.11838	7.8
368.11307	1.8
460.17633	12.7
462.19125	26.8
463.19675	0.9
468.91592	0.5
488.17062	77.0
489.17499	1.6
625.25446	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	625.1766
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03949	0.1
55.01866	0.3
55.05502	0.3
57.03434	1.7
59.70869	0.1
61.02924	1.8
65.01073	0.1
68.99416	0.1
68.99800	0.1
69.03431	0.8
70.06600	1.0
71.01348	0.2
71.04996	11.2
71.51732	0.1
72.08147	0.5
73.02908	0.8
75.04487	0.6
75.04844	0.1
81.03436	0.3
83.05005	0.7
84.04511	0.2
84.08131	0.3
85.02908	15.0
86.09701	0.4
87.04461	0.3
88.85989	0.1
91.03948	1.1
91.05518	0.1
92.02605	0.6
93.03397	0.5
95.04936	0.2
97.02903	1.2
98.06065	0.1
99.04455	0.2
105.99480	0.1
109.02858	0.2
110.07162	0.2
111.00783	0.2
111.04431	0.5
116.07104	0.1
117.03311	0.2
120.08125	0.4
121.02871	0.6
122.03733	0.1
123.04425	0.1
126.03136	0.1
127.03930	0.6
129.05481	3.6
129.10252	0.2
135.04451	0.1
136.07593	0.1
137.02315	0.2
137.06010	0.3
139.03911	0.9
145.02855	0.9
145.04955	0.4
146.03186	0.4
147.06523	1.2
149.05981	0.2
151.03938	0.9
153.01825	5.0
163.03893	0.4
165.01825	0.4
167.07057	0.1
177.05496	1.6
178.05803	0.5
179.07050	0.2
183.03008	0.2
183.14938	0.1
201.05470	0.5
203.03448	0.3
215.97980	0.1
217.04959	0.5
218.05820	0.4
228.04192	1.0
229.04968	2.1
231.02863	0.3
244.20734	0.1
245.04477	0.8
246.05246	0.9
247.02597	0.1
257.04462	2.3
260.03192	0.3
261.07724	0.3
271.05966	0.1
273.03958	1.2
274.04742	3.2
284.03149	0.3
285.03934	3.5
288.06326	0.2
299.05591	0.1
301.03363	0.1
302.04214	10.9
303.04382	0.2
314.04129	0.2
315.05246	0.1
317.06558	100.0
318.06906	0.9
329.06635	1.0
341.06573	0.2
355.08032	0.2
359.07620	1.0
373.13025	0.1
374.13074	0.3
383.07651	0.6
395.07574	0.2
413.08908	0.2
425.08667	0.1
443.09509	0.2
461.10742	0.6
463.14767	0.1
463.21271	0.2
479.11841	1.5
625.18817	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	Nervilifordin B
Peak:m/z	Relative Intensity
55.01847	0.2
56.66130	0.2
61.02904	0.3
66.57829	0.2
68.99791	0.4
69.03420	0.5
69.66019	0.3
69.66438	0.8
70.06596	0.9
71.04987	0.3
72.08167	0.4
77.07642	0.2
81.03423	0.3
84.08157	0.4
85.02908	2.4
86.09707	0.6
97.02896	0.8
98.20763	0.4
99.00833	1.2
105.51846	0.2
112.01598	0.7
127.00292	1.3
127.03942	0.4
137.05986	0.3
140.01062	0.6
145.02867	0.6
145.04921	0.5
154.99818	0.3
163.03912	0.3
163.76976	0.2
168.00552	27.1
177.05486	0.5
183.02898	2.9
185.06010	0.3
186.01608	12.5
199.96190	0.2
215.71284	0.2
241.04936	0.3
258.05151	0.4
268.03702	1.8
269.04459	0.3
273.07578	0.5
283.05988	0.6
285.04037	0.3
286.04718	5.7
301.07080	100.0
302.04285	0.4
302.07425	0.8
317.06558	2.9
405.67804	0.2
463.12357	1.1
612.12128	0.2
629.63135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1766
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
51.78180	0.1
53.03933	0.2
55.01866	0.3
55.05503	0.2
57.03190	0.2
57.03437	1.9
59.04986	0.2
60.37011	0.1
61.02932	1.6
63.19566	0.1
65.03943	0.2
67.27254	0.1
69.03406	0.3
69.34753	0.5
69.35178	0.5
70.06596	0.6
71.04998	9.4
72.08131	0.2
73.02920	0.7
75.04469	0.5
81.03404	0.2
83.04990	0.7
85.02910	12.7
86.09704	0.2
87.04490	0.4
91.03955	1.3
91.05447	0.1
92.02610	0.5
93.03400	0.7
97.02908	1.1
98.21464	0.2
99.04439	0.2
109.02861	0.1
111.04435	0.5
121.02886	0.6
123.04421	0.1
126.03124	0.2
127.03883	0.4
129.05482	3.2
137.02357	0.2
137.05971	0.2
139.03940	0.8
145.02818	0.2
145.04959	0.3
146.32980	0.1
147.06534	1.2
151.03923	0.8
152.45436	0.1
153.01837	4.5
163.03897	0.2
165.01880	0.6
167.06982	0.2
177.05411	0.3
181.04979	0.2
186.34480	0.2
201.05450	0.5
203.03352	0.2
217.05029	0.4
218.05782	0.4
227.03680	0.2
228.04199	0.7
229.04965	2.1
231.02878	0.2
245.04507	0.6
246.05272	1.3
250.42897	0.1
256.03632	0.2
257.04459	1.8
258.05038	0.2
260.03281	0.3
271.06201	0.2
273.03912	1.2
274.04736	3.5
275.60147	0.1
284.03110	0.3
285.03946	3.4
286.04651	0.8
287.01883	0.2
288.06195	0.2
291.55698	0.2
301.07056	2.2
302.04236	9.8
317.06561	100.0
318.06964	0.9
359.07632	0.2
416.14679	0.3
439.68130	0.1
479.11722	0.2
625.22131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45538	2.2
53.03948	2.5
57.03442	7.8
67.05505	6.3
69.03436	3.5
69.05908	2.1
71.52352	2.1
79.05499	13.2
81.07072	23.1
85.02941	2.4
91.05479	7.3
93.07050	18.2
95.04970	5.5
95.08611	15.4
105.03399	74.5
105.07035	21.6
106.39959	2.5
107.08590	19.3
109.10133	4.2
117.07044	2.5
119.08591	53.9
121.06510	5.5
121.10134	14.1
123.04427	15.5
123.08071	3.2
131.08588	4.6
133.10120	14.4
135.11674	13.5
143.08438	3.1
144.78716	2.2
145.10149	2.9
147.11722	3.7
157.10138	4.0
159.11694	8.0
161.13286	19.9
176.36479	2.2
177.05527	2.2
179.05487	5.3
179.07051	100.0
189.16399	49.9
199.14758	3.7
217.15895	24.7
269.27823	2.5
291.19583	20.0
355.10135	11.7
393.19168	4.3
413.23511	5.3
467.22763	3.8
492.64026	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31383	0.3
53.03949	1.6
55.01860	0.9
55.05507	3.3
57.03442	0.6
57.07084	0.5
59.05011	0.5
61.02926	0.4
65.03933	0.7
67.05510	5.5
69.03434	3.7
69.07072	2.3
69.95010	1.6
70.06599	1.8
71.01377	0.8
71.04996	0.7
72.08153	1.3
73.02925	1.3
75.04477	3.2
75.20329	0.3
77.03928	0.5
79.05492	7.7
79.48224	0.3
81.03415	1.7
81.07057	39.1
83.01349	1.2
83.04984	0.6
83.08626	1.0
84.04484	0.5
84.08145	1.2
85.02914	1.8
86.09708	2.0
87.04469	2.7
87.05594	0.3
91.05478	12.7
93.07043	16.9
95.04977	1.8
95.08607	20.2
97.02892	6.3
97.06541	2.2
97.10162	0.9
101.02358	3.0
101.06005	0.8
102.05569	0.6
103.05452	1.2
105.07033	30.6
107.04949	1.0
107.08595	19.2
109.06518	1.6
109.10158	7.0
111.04456	1.2
113.02377	1.2
115.03903	1.4
115.89155	0.3
117.06998	2.6
119.04952	1.0
119.08580	78.3
120.08126	0.8
120.08899	0.5
121.06524	3.3
121.10142	31.8
123.08064	4.8
123.11699	1.6
125.02336	1.9
125.05983	0.4
125.09626	1.6
127.03925	0.8
128.06236	0.6
129.05472	6.0
129.06976	0.9
129.10201	0.7
131.08566	3.4
132.64052	0.4
133.06487	0.4
133.10132	21.3
135.08064	1.3
135.11697	13.2
135.12720	0.8
137.05937	0.7
137.09665	2.3
142.07773	1.5
143.03435	1.5
143.05873	0.4
143.08568	2.7
143.11874	0.5
144.09256	0.4
145.02870	0.9
145.10088	1.8
147.06535	1.5
147.08032	1.5
147.11691	11.7
149.09613	1.4
151.07527	0.8
157.04951	1.2
157.10127	3.8
159.11693	11.3
161.09616	3.3
161.13255	35.3
167.07045	0.9
171.11635	1.0
173.09650	0.5
173.13232	1.1
175.06033	10.8
175.07433	0.5
175.11171	1.7
175.14836	2.0
177.05467	1.5
181.05035	0.7
186.23665	0.4
189.16382	100.0
190.16704	0.7
193.07079	13.4
197.13219	0.4
199.14825	3.5
201.05499	0.5
217.15874	25.7
235.16991	4.3
293.07883	0.5
305.24863	0.5
325.10663	0.9
351.08566	0.6
390.77258	0.4
401.46841	0.4
409.22174	7.6
415.13657	0.4
427.23126	1.6
444.27930	0.5
462.19650	0.4
624.23309	0.5
625.28662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.05025	0.5
57.03447	2.6
57.07069	0.9
58.99578	1.0
59.04986	0.5
60.04512	0.6
61.02919	0.5
67.05486	1.4
69.03433	33.4
69.07079	2.4
69.55864	1.3
69.56290	1.0
70.06606	3.5
71.04973	1.1
72.08149	2.3
73.10194	0.3
76.02238	3.1
79.05472	1.6
81.03402	0.7
81.07067	3.5
82.99332	0.4
83.04975	2.4
83.08612	0.8
84.04492	1.0
84.08125	1.6
85.02908	8.3
85.06522	1.5
86.09688	1.1
86.99039	0.6
87.04469	4.7
91.05466	1.6
93.07059	2.7
95.04984	0.5
95.08611	4.8
97.02895	6.8
97.06525	1.5
98.21564	0.5
99.04504	0.6
100.02203	1.8
105.00089	1.0
105.07056	2.0
107.04942	0.6
107.08592	8.3
109.02850	0.8
109.06522	2.8
109.10146	1.3
110.07184	0.8
111.08070	1.7
115.03947	4.5
115.08645	0.7
117.03360	0.7
119.04933	0.4
119.08580	2.4
120.08106	0.7
121.06513	1.5
121.09341	0.6
121.10151	9.3
122.02734	19.3
123.08065	2.3
123.11692	5.4
125.09636	14.4
125.10561	0.5
127.03906	0.8
129.10228	1.0
131.08580	3.9
133.04950	3.3
133.10146	2.9
135.08055	6.5
135.11700	4.2
136.07536	0.4
137.05980	1.2
143.08566	0.6
144.09341	0.5
145.02841	0.9
145.04993	0.7
145.10139	1.8
146.02698	1.4
147.07973	0.4
147.11682	2.2
149.05974	0.4
149.09622	6.0
149.13246	2.5
151.07521	0.5
151.11186	1.2
153.09099	6.1
158.10980	2.3
163.03851	0.6
163.11197	1.5
163.14847	3.9
164.03792	2.4
165.12761	2.5
167.05260	0.7
167.10725	1.8
173.13274	15.7
176.12006	0.5
177.05447	2.1
191.14314	51.4
192.14703	0.4
197.09874	0.8
205.04749	0.4
209.15376	100.0
210.15831	0.6
223.11530	3.4
227.22816	0.4
241.12575	7.3
242.12964	0.4
248.05901	0.7
254.06985	3.6
317.06638	0.5
330.17349	23.3
371.20773	0.8
372.18524	1.1
462.21829	1.3
474.21783	0.7
492.22662	10.9
534.24158	0.5
624.27203	2.7
625.20941	1.1
637.61963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38148	0.4
59.13227	0.4
65.56538	0.4
69.43846	1.2
69.44256	1.5
77.58695	0.4
79.05479	0.7
79.28411	0.4
81.07049	1.0
93.07037	0.5
95.08608	0.5
98.20999	1.4
134.28600	0.4
190.26524	0.4
237.13927	0.5
316.19479	0.4
387.15939	0.4
389.17789	0.8
391.19199	1.1
401.17572	0.9
402.18393	0.5
403.19272	1.5
404.20132	1.0
405.21002	1.9
407.22458	0.9
415.19623	1.9
415.24771	0.4
416.20230	0.6
417.16351	0.8
417.21704	2.1
418.17679	0.5
419.22934	3.5
421.24133	0.6
429.16638	0.5
429.21530	0.7
430.18048	1.3
431.18805	2.2
431.23083	1.1
432.19046	0.9
432.24127	0.5
433.20407	5.1
443.18933	1.6
444.19012	2.1
445.19962	4.4
446.21085	2.3
447.22015	3.6
448.22662	0.9
451.13403	0.5
457.20209	0.7
458.20978	5.9
459.21829	5.6
460.22726	4.0
461.19778	0.8
462.20447	0.6
463.21359	1.7
471.22122	0.6
473.23444	1.1
475.21204	0.9
476.22009	1.1
477.22849	1.8
487.25394	0.5
491.24637	0.9
499.62912	0.4
503.24454	0.6
504.25113	0.6
505.21991	0.7
505.26596	0.5
517.22473	1.1
518.23065	4.9
521.21802	1.1
531.23877	0.7
532.24860	0.6
533.25531	7.6
535.27850	1.9
545.25781	2.1
546.26190	1.6
563.26575	5.4
573.25122	0.8
577.27710	0.7
605.27704	11.6
606.27570	0.4
623.28680	100.0
623.53577	1.9
624.29144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29261	0.5
71.05052	0.6
71.05415	1.4
84.78172	0.5
85.82920	0.5
89.05967	2.0
93.92445	0.5
121.35291	0.5
128.88686	0.5
133.08566	1.3
194.04269	0.5
196.09808	0.7
197.07759	0.5
223.12349	0.5
237.13771	0.9
374.16031	0.5
375.16986	0.6
377.17865	1.4
378.18747	1.1
385.14420	0.6
386.16348	0.5
388.17923	0.5
389.18030	1.4
390.18610	1.5
391.19357	2.6
392.19910	3.0
393.20786	1.7
399.15842	1.0
400.17334	1.1
401.17566	1.5
403.19577	1.0
404.20523	1.8
405.20911	4.1
406.21558	4.5
407.22293	12.3
413.17715	1.5
414.18503	2.6
415.19241	4.9
416.20157	0.9
417.20978	1.4
419.17786	0.9
419.22449	1.9
420.23016	2.1
421.23932	11.3
422.24567	2.4
426.49225	0.6
427.19305	2.7
428.20029	3.1
429.20883	12.3
430.21985	2.6
431.18085	1.0
431.23013	0.9
433.19815	1.4
433.24301	1.6
435.25735	1.3
441.21292	0.8
441.57599	0.5
442.21677	2.1
443.22635	7.1
444.23480	4.4
445.20221	1.4
447.17938	1.4
448.26590	0.7
449.23718	0.8
455.18961	1.4
456.19141	1.5
457.23926	4.1
458.25009	5.3
459.21802	7.7
460.22842	2.7
461.19052	4.9
462.20651	2.0
463.21417	1.6
470.21030	1.7
471.21637	2.2
472.23056	5.5
473.23618	1.7
474.20300	1.0
475.21088	5.9
476.21616	4.8
477.22504	3.4
478.23318	1.1
479.24521	0.6
485.23633	14.7
486.20407	3.1
486.25290	1.5
487.21075	1.0
488.22003	1.9
489.22916	4.3
493.25833	1.1
498.20200	0.8
499.21338	3.7
500.21915	1.8
501.23187	0.8
502.24280	1.2
503.24402	8.7
504.24423	0.6
507.23840	0.9
508.28162	1.5
513.23041	3.8
514.23761	1.9
515.24091	0.8
517.26215	8.4
518.23486	0.8
521.25598	0.8
529.25995	1.9
531.24158	1.3
535.27185	4.9
545.25500	79.4
546.25940	2.2
547.27228	0.7
549.25287	0.7
564.27094	1.6
573.15942	1.1
573.24994	20.0
591.26605	1.0
598.10315	0.6
605.27600	84.6
606.28180	1.8
623.28638	100.0
624.28918	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.83716	0.5
223.26012	0.5
389.03632	0.5
389.18335	0.7
390.18491	0.8
391.19473	1.1
403.19708	0.7
405.21002	3.0
415.19403	1.2
417.21002	0.8
419.18164	1.0
420.23505	0.7
429.20856	2.6
430.21619	1.3
431.18436	0.6
432.15451	0.8
433.20151	3.2
435.21832	0.7
443.22739	0.8
444.23364	1.4
447.17920	7.6
448.22672	2.0
449.23685	1.5
452.21936	0.7
457.24307	1.0
458.25024	1.2
459.21667	2.9
460.22702	1.4
461.19458	6.9
463.21042	1.3
472.22610	1.1
473.23593	1.2
475.21457	2.0
476.22089	19.2
477.22488	3.5
479.20828	0.9
485.23309	3.4
487.25403	1.4
494.77267	0.6
503.24673	2.7
504.25357	0.7
513.23242	0.6
515.24402	2.8
517.26294	1.2
519.23871	1.9
521.25403	1.9
531.23846	6.9
545.25555	12.3
547.27264	0.7
549.24695	2.8
559.23334	1.0
563.26514	6.9
583.40216	0.6
591.26068	7.9
605.27832	1.9
623.28674	100.0
624.29468	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
52.68766	0.4
53.03910	1.6
54.51049	0.4
55.86950	0.4
64.54834	0.4
65.03911	1.1
70.06566	0.9
70.64205	1.2
77.03922	0.9
79.05478	0.9
81.03384	0.8
85.02873	0.4
86.09678	0.5
89.03893	1.4
91.05482	12.2
93.07049	6.3
95.04996	2.1
95.45375	0.4
102.04660	0.4
103.05473	6.6
105.03347	0.5
105.04488	0.8
105.15176	0.4
106.06536	0.4
107.04961	3.7
107.08598	0.4
108.21375	0.4
109.06487	0.7
117.03391	2.6
117.06977	0.5
119.04953	8.0
120.05734	17.7
121.02842	1.5
121.06509	29.7
123.04419	0.5
129.03314	0.5
131.04897	1.7
132.02054	0.6
132.05763	0.5
133.02858	3.3
133.06445	1.0
134.06023	5.7
135.04396	1.5
135.06761	1.6
136.07602	4.4
137.05988	13.3
144.02017	0.5
144.04424	1.2
145.02861	6.7
145.06381	0.6
146.05951	0.7
147.03392	0.6
147.04420	5.8
149.05981	2.4
150.06784	1.1
151.03871	0.7
151.07542	0.8
157.03943	0.7
158.06036	0.5
159.04465	2.3
160.05174	1.0
161.02336	1.0
161.05977	4.1
162.05481	3.0
163.03873	1.0
164.04770	2.7
164.07108	0.5
165.06920	0.6
168.04135	0.6
168.19632	0.4
173.05922	1.2
174.03085	0.5
175.03922	9.7
176.04733	2.2
177.05487	14.3
179.08542	1.0
181.06494	0.6
187.03882	7.3
190.08693	0.6
192.06567	0.9
193.04958	1.2
195.08023	0.6
201.05409	2.8
203.03436	0.7
205.04974	2.6
205.46574	0.4
207.08070	2.6
209.05852	0.7
211.07579	0.7
220.05247	1.1
221.04216	0.9
221.06049	1.4
222.09105	0.4
223.07677	2.0
224.08449	0.5
229.05090	0.5
233.05946	0.8
234.06767	0.8
235.07616	3.8
237.05611	2.0
238.06203	0.6
239.07042	1.6
242.08124	0.6
248.04720	0.9
249.05443	2.5
249.09163	1.0
250.06325	0.5
250.08803	0.5
251.07065	1.7
252.07799	1.6
253.08618	1.7
254.09335	1.6
262.06158	0.6
263.07056	6.0
264.07651	0.8
265.04999	7.5
265.08078	0.8
266.05692	0.5
267.10034	1.2
268.10870	0.5
276.04077	0.5
277.04962	0.9
278.08215	0.5
279.06503	2.3
280.07214	4.1
280.09778	0.5
281.08081	7.3
282.07611	6.8
282.10931	0.8
290.05701	0.5
291.06479	2.9
292.07001	0.6
293.04480	10.1
293.07709	0.7
294.05414	0.7
295.09665	2.1
296.09259	0.7
298.14383	1.2
307.05951	1.0
307.09644	0.5
308.06790	73.9
309.07526	3.0
310.07184	3.2
310.10794	3.2
311.11514	2.0
312.12323	3.6
314.13919	1.5
319.06091	2.4
319.09521	0.6
323.09137	10.0
324.12234	2.1
325.09467	13.4
326.10220	0.5
328.81696	0.5
333.07498	0.9
335.05478	0.5
336.06177	3.5
337.07010	1.1
338.13889	0.9
342.13263	0.8
351.08652	83.5
362.10413	0.5
364.11526	0.8
368.11285	1.1
379.16553	1.2
428.15564	0.4
445.15280	3.0
459.19803	0.6
460.17126	0.7
462.19119	2.6
486.15485	3.6
488.17087	100.0
489.17438	1.4
499.18896	0.7
610.47803	0.5
623.23907	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	623.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01852	0.8
55.13523	0.7
69.35426	6.5
70.06577	1.6
77.03912	0.7
79.05470	0.9
81.07049	1.5
91.05484	14.3
93.07047	18.2
95.04956	4.1
95.08626	1.2
103.05473	13.6
105.04518	1.7
105.07035	1.9
107.04961	10.4
107.08617	0.8
115.05407	0.8
119.04971	2.5
119.08569	1.0
121.02886	2.9
121.06511	94.3
121.10152	1.3
122.92558	0.7
123.04487	0.9
133.06517	1.1
135.04463	1.0
136.07623	3.7
137.05998	7.9
138.09193	1.9
143.04918	1.4
145.02809	1.5
145.06496	2.6
146.06029	1.5
147.04407	1.2
149.06017	1.3
149.32516	0.9
150.06740	1.3
151.03926	0.9
159.11748	0.9
161.05994	1.5
162.05528	1.7
164.07150	1.4
173.05975	2.2
175.03973	1.5
176.07137	2.2
177.05464	3.2
177.06865	1.3
179.10863	0.9
186.03232	4.3
189.05487	1.4
189.07104	0.9
192.05640	0.8
193.45999	0.7
194.07364	1.6
201.05487	11.1
203.07004	1.0
205.06534	6.7
207.06548	2.5
207.08237	1.2
209.06158	1.0
210.06761	1.1
211.07596	1.1
219.08142	1.4
220.05264	0.9
221.06079	2.3
222.06775	5.0
229.08630	1.4
233.06000	9.1
234.06750	2.8
235.07503	2.6
236.69377	0.8
237.05458	1.6
237.09190	5.7
238.06261	2.5
238.08673	1.0
239.07195	1.8
243.10464	0.8
247.07588	3.5
248.04720	1.8
249.05426	3.9
250.06293	8.8
251.06998	1.9
253.08652	4.1
254.09550	1.6
262.06354	1.2
263.07065	5.5
264.07828	5.4
265.04984	5.5
265.08643	11.8
266.09439	0.9
267.06760	1.0
269.10617	0.8
270.11258	9.4
276.04196	2.3
277.05017	2.4
278.05807	3.5
279.06653	1.0
279.10040	1.6
280.07333	4.0
288.06702	1.4
290.05643	1.6
291.06613	3.7
292.07281	15.2
293.04492	7.7
293.08109	10.9
295.06213	1.6
295.09763	2.4
296.10461	1.2
297.11469	1.4
299.05441	1.0
299.09009	1.0
304.03659	2.0
305.04187	1.1
306.05032	1.6
307.09647	23.2
308.06796	28.4
308.10275	1.7
310.08209	1.6
316.06241	1.6
317.07913	1.5
319.06119	3.3
320.06540	1.6
320.09735	1.2
323.09161	23.3
325.10715	44.6
329.06833	1.3
332.09302	0.9
334.07385	2.4
334.10980	1.3
335.09134	7.3
336.06180	6.0
337.09683	2.3
340.11832	2.0
347.08304	1.3
348.08691	3.0
349.06824	1.5
350.06543	1.6
350.10306	1.1
351.08640	86.7
352.11972	7.0
362.10168	6.8
364.11993	1.3
366.09741	17.6
379.10269	3.7
380.11337	18.2
392.11221	4.2
441.13400	1.6
458.15994	2.1
460.17590	6.6
462.19159	12.3
469.12759	0.9
486.15512	100.0
487.15616	1.4
488.17221	1.9
623.24554	5.7
644.82709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94378	0.3
60.65036	0.3
64.21788	0.3
67.05421	0.3
69.52238	0.7
69.52641	1.8
76.08695	0.3
81.06998	0.5
89.29757	0.3
98.21470	0.7
143.53947	0.3
149.00610	0.3
179.99808	0.4
197.51302	0.3
204.86462	0.3
223.12395	0.3
232.46149	0.4
249.10092	0.3
256.04361	0.4
298.13199	0.4
351.13351	0.4
374.15115	0.6
375.16248	0.7
387.16278	0.9
388.16885	1.1
389.17719	3.2
390.18436	1.2
391.19174	0.5
401.17709	1.3
402.18423	1.3
403.19376	5.8
404.20139	2.8
405.20972	1.8
415.14966	0.6
415.19775	0.6
416.15634	2.1
417.16022	3.5
417.20935	3.0
418.17105	0.5
418.21573	1.2
419.22363	8.0
429.20828	0.8
430.17944	1.3
431.18140	7.8
431.23517	0.4
432.18997	2.4
433.19879	1.7
443.18692	0.7
444.19556	0.6
445.20102	7.5
446.21033	5.4
447.21872	11.2
457.20627	0.7
458.21295	0.4
459.17615	1.6
459.22128	2.0
460.18118	0.5
460.23041	0.5
461.19196	1.6
473.19525	1.2
473.24301	0.7
474.20483	10.4
475.21317	14.1
476.21671	0.5
477.22888	0.4
487.21338	4.0
488.22031	1.4
489.23221	0.6
492.25665	0.4
501.23096	2.3
505.25970	1.4
518.23114	0.8
519.23535	0.4
529.22815	0.7
531.36493	1.8
533.25537	12.7
546.22638	1.0
561.25006	72.6
562.25549	1.6
589.24567	1.6
593.27582	3.1
621.27124	100.0
622.27429	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
54.43772	2.3
55.01869	17.5
55.05502	11.5
57.03427	6.8
57.07074	4.7
59.78175	2.1
65.03934	2.3
67.05505	47.9
69.03431	32.9
69.07062	17.5
70.23920	8.9
71.04983	10.2
71.08622	2.1
71.49268	2.0
71.56323	2.8
73.02903	8.3
74.58147	2.4
76.24454	2.1
79.05500	13.7
81.03426	32.7
81.07056	54.9
83.01366	2.5
83.08611	8.3
85.02921	20.2
85.06529	2.5
88.46346	2.0
89.61537	2.4
91.05457	12.8
93.07041	20.0
95.04945	4.3
95.08057	3.6
95.08609	38.4
97.02893	36.1
97.06516	3.7
97.10157	5.4
99.03853	4.4
99.04456	54.1
105.07011	7.9
107.04949	3.4
107.08575	6.8
109.02877	31.8
109.10166	17.0
111.04425	8.9
119.08539	8.2
121.10136	10.9
123.11693	7.3
124.27682	2.1
127.03914	100.0
131.08574	4.4
133.10109	8.0
135.11696	3.5
137.13324	2.4
140.66356	2.2
145.04955	19.3
145.10025	2.3
147.11641	5.7
149.13283	5.3
151.11200	2.5
153.10361	2.3
161.13239	8.2
163.14825	3.6
175.14856	6.7
189.16364	2.8
201.16399	2.3
231.94189	2.3
243.21155	2.9
245.22617	7.5
261.22122	7.3
263.23712	23.2
279.23325	5.1
353.24884	5.7
359.25876	5.4
371.25916	14.5
389.26785	10.3
407.27988	18.9
425.29007	46.0
616.90833	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.5
53.26485	1.5
55.01868	15.9
55.05512	8.5
56.96546	2.7
57.03437	6.2
57.07063	2.3
61.02940	2.0
65.03929	2.2
67.01892	1.6
67.05505	51.9
69.03091	2.4
69.03436	36.4
69.07064	6.7
71.01377	1.9
71.04988	12.1
71.51827	2.5
73.02913	8.0
79.05495	31.0
81.02968	2.1
81.03416	38.6
81.07057	54.8
83.04984	4.5
83.08621	5.9
84.96024	2.6
85.02422	2.8
85.02908	22.2
85.06528	1.8
91.05481	21.3
93.07045	39.9
95.08606	41.4
97.02899	40.1
97.06549	1.9
97.10194	2.6
98.97665	1.9
99.04458	68.7
99.05116	3.4
101.02402	2.7
105.04539	2.0
105.07047	16.3
107.05032	1.8
107.08602	24.2
109.02893	39.9
109.06549	1.6
109.10160	20.6
111.04467	9.6
114.15550	1.8
117.07031	6.1
119.08585	13.7
121.10130	20.3
123.08167	1.9
123.11696	10.4
127.03922	100.0
131.08563	11.9
133.10162	10.2
135.11705	15.2
137.13243	3.2
143.00136	2.7
143.08534	2.4
145.04939	17.0
145.10199	8.6
147.11693	7.5
149.13226	9.1
157.10117	2.8
159.11690	8.5
160.91467	1.9
161.13283	7.2
163.14828	4.1
173.13255	8.3
175.14868	3.7
177.16406	3.6
185.13347	2.4
187.14891	5.8
189.12640	1.9
199.14746	1.9
228.38663	2.0
241.19553	2.1
243.21190	6.4
259.20645	6.8
261.22134	28.2
266.96863	1.9
277.21747	8.9
279.23148	7.2
283.02008	8.8
284.97876	2.8
302.24649	3.7
303.23288	2.4
315.23285	3.0
318.18423	2.5
323.42090	2.0
341.24631	3.6
357.24023	4.8
359.17044	1.9
369.24234	11.5
387.25308	8.8
394.29626	8.6
405.26352	13.6
423.27420	63.0
620.22363	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
71.18166	0.3
83.04941	0.2
84.53569	0.1
94.06554	0.2
183.09140	0.1
197.10748	0.2
208.09923	0.2
209.10661	0.4
211.12245	0.1
221.10777	0.3
223.12195	0.3
234.93227	0.1
235.12386	0.2
245.10912	0.1
248.51399	0.1
249.10291	0.2
251.11774	0.3
272.11850	0.2
309.12842	0.1
310.13528	0.2
312.14819	0.2
322.13275	0.2
323.14081	0.1
324.15054	0.2
326.16580	0.2
328.14694	0.1
372.14899	0.1
373.14410	0.3
374.15448	0.5
375.16028	0.7
376.17276	0.3
386.16476	0.4
387.16251	0.6
388.16650	1.0
389.17679	2.7
390.18420	1.0
391.19061	0.8
400.17630	0.2
401.17978	1.0
402.14438	0.4
402.19058	1.0
403.19476	4.0
404.20050	2.0
405.20773	2.3
406.21512	0.2
413.17615	0.2
415.14569	0.2
415.20065	0.7
416.15421	1.1
416.20313	0.6
417.16998	2.9
417.20990	2.4
418.17657	0.7
418.21616	0.8
419.22458	6.4
420.22952	0.6
429.16501	0.3
429.20972	0.4
430.17032	1.0
431.18057	5.9
432.19128	2.2
433.20245	2.2
435.22256	0.1
442.17502	0.2
443.18561	0.6
444.19485	0.5
445.20071	5.4
446.21008	5.8
447.21805	8.5
448.22513	0.5
457.20340	0.2
458.21014	0.2
459.17273	0.9
459.21860	2.0
460.18768	0.6
460.23624	0.3
461.19360	1.4
462.20407	0.2
463.21176	0.5
471.17984	0.2
473.19501	1.2
473.24060	0.7
474.20435	5.5
475.21301	7.5
476.22281	0.2
477.23520	0.2
478.23740	0.4
485.19562	0.2
486.20346	0.2
487.21426	2.9
488.22314	0.7
489.22922	0.4
490.24072	0.2
491.20996	1.2
492.25488	0.3
501.22903	1.9
502.23703	0.2
503.20679	0.3
504.21585	0.3
505.25793	1.1
506.23434	0.3
517.22150	0.2
518.22937	0.5
519.20612	0.6
520.24835	0.1
529.22076	0.5
533.25519	15.1
534.25378	0.3
546.22498	0.4
561.24982	21.2
562.25470	0.5
565.27405	0.2
589.24609	0.9
593.27637	3.5
621.27075	100.0
622.27185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01862	1.4
57.03421	0.7
58.33371	0.4
60.04496	0.5
61.02919	0.4
65.03918	0.5
69.03427	5.3
69.07050	0.5
70.06592	5.1
71.04967	0.8
71.52365	0.6
72.08153	2.0
73.02904	0.8
74.44051	0.3
78.04700	2.0
79.05495	6.2
81.03416	4.0
81.07046	1.0
84.04493	1.0
84.08132	2.0
85.02901	9.1
86.09707	2.1
87.00814	2.9
87.04472	0.4
89.03915	0.5
91.05473	4.0
93.07028	0.5
95.04959	1.3
97.02901	2.6
99.04453	1.7
102.04727	0.4
103.03977	0.4
103.05456	2.5
104.06245	0.5
105.01868	2.0
105.03404	0.5
105.04536	0.4
105.07030	5.5
106.04163	1.6
107.04954	12.1
109.02879	4.1
110.07168	0.9
111.04464	0.5
113.03350	0.4
115.03941	0.5
115.05468	4.0
116.07112	0.6
117.01844	0.6
117.03362	0.8
117.07000	1.5
118.04144	1.4
119.04933	0.9
119.08569	2.0
120.08106	1.0
121.06496	1.3
122.03658	0.5
123.04418	4.5
124.05219	3.2
125.05986	0.9
127.03925	6.5
128.06230	2.4
129.01877	0.5
129.06999	6.9
129.10226	1.4
131.04938	4.0
131.08569	0.8
132.05743	2.0
132.06589	0.4
133.02850	0.4
133.06491	5.1
134.03677	0.6
135.04398	0.6
136.07590	0.8
137.05994	2.2
140.04710	0.5
141.06969	1.1
143.05020	0.4
144.05695	1.6
145.02831	1.1
145.04982	2.2
145.06433	2.1
146.07262	0.6
147.04398	1.3
147.08035	2.7
148.05191	0.6
149.05994	0.9
150.88603	0.4
151.03951	1.8
151.07521	0.5
152.04732	1.8
152.05830	0.4
153.05473	2.4
155.04942	1.2
155.07030	0.7
156.05673	1.0
157.06419	0.8
159.02869	2.0
159.08040	5.9
159.09244	0.6
160.05211	1.6
161.05975	8.5
161.09627	0.7
161.26715	0.4
163.03951	0.6
163.07581	0.7
165.05421	0.4
167.07036	100.0
168.05701	0.4
168.07368	0.5
169.06487	1.1
171.08083	1.2
172.05194	1.4
175.07541	25.9
176.04680	1.0
177.05495	3.1
177.09126	0.4
178.07744	0.6
179.06992	1.0
181.05022	0.5
181.06450	0.7
184.05145	1.2
184.19843	0.4
185.05989	0.8
187.07539	18.5
189.07054	1.1
189.09111	2.2
190.07802	1.0
191.07019	11.6
191.08437	0.8
193.08603	1.2
193.10120	1.0
195.08113	0.7
197.08099	0.5
199.07518	7.9
201.09029	0.6
202.07845	1.5
203.08562	3.7
204.09253	0.8
205.06534	0.8
205.08475	0.8
205.10321	0.7
206.07278	1.9
207.08070	1.3
209.08066	2.7
215.06828	0.5
215.08591	1.6
215.10455	0.4
217.06537	1.0
217.08594	1.9
218.07280	2.6
219.08072	2.4
220.08870	1.1
221.09674	3.0
223.67085	0.4
229.06509	0.6
229.08585	0.7
230.07401	0.5
231.04979	0.9
231.08072	2.8
232.08817	1.7
233.06029	0.7
233.09673	4.1
234.06729	2.2
235.07526	3.0
236.08235	0.5
237.09113	0.6
241.08615	0.6
242.07214	0.4
243.08058	0.9
245.06006	0.9
246.06737	2.4
247.07545	2.1
248.08308	1.3
249.09094	5.0
250.09904	1.3
251.07033	1.6
253.12270	0.4
257.05899	1.0
258.06821	0.5
259.07550	1.4
260.08319	1.8
261.09116	6.3
262.06204	0.5
262.09872	0.8
263.06973	2.5
264.07602	0.6
265.08643	1.1
266.09381	1.3
267.10312	0.4
271.07388	0.6
273.09128	0.5
274.06244	1.6
275.07074	1.1
276.07791	0.9
277.08578	3.4
278.09436	2.4
279.06592	0.8
279.10162	1.1
281.11716	7.9
289.08594	5.8
290.09464	1.7
291.06635	1.0
291.10138	1.5
293.08350	0.7
293.11725	2.7
294.08908	1.6
295.09534	1.2
303.10153	0.6
305.07965	0.5
306.08850	2.0
307.09592	1.6
308.10086	0.5
309.11200	8.0
310.11926	1.0
311.09076	0.8
321.11215	9.8
322.12009	1.4
323.09198	1.1
323.12924	0.6
325.10889	0.7
325.14346	0.9
326.11465	3.2
333.11121	0.6
338.11487	1.2
339.12357	0.7
341.13834	39.5
351.12170	0.9
353.13828	27.3
355.15445	0.5
363.12317	0.6
365.13953	1.1
371.14917	2.2
383.14914	1.0
403.24045	0.4
404.13959	0.4
615.63660	0.4
619.19855	2.8
619.29187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45204	0.4
56.05032	0.6
56.96573	5.4
58.06595	1.1
60.08171	6.8
63.82545	0.5
67.05517	1.1
69.69822	2.8
70.06578	0.4
70.60730	0.4
71.07388	3.6
71.16631	0.5
71.95268	0.8
72.08159	0.8
72.94704	0.5
81.07054	1.1
83.08623	0.5
84.96063	1.2
86.09715	14.6
93.07089	0.8
95.08607	1.2
98.20834	0.5
98.97613	1.0
102.92617	0.6
104.10755	100.0
109.10211	0.4
110.97635	0.5
116.98630	0.7
118.92094	0.6
124.99177	0.5
128.98692	0.5
136.93105	2.2
143.00131	1.2
149.80586	0.5
150.89941	0.5
154.94157	3.4
161.01276	0.7
162.94710	1.2
172.95338	3.5
180.95775	6.9
186.99757	0.5
190.96382	0.6
198.96844	13.4
201.00809	0.5
203.97600	0.6
210.96825	1.8
216.97874	6.1
221.98521	1.4
228.97986	2.1
240.10074	0.6
254.99434	1.1
258.14337	0.5
264.96912	0.8
282.04337	0.9
282.98114	1.0
283.01978	1.2
289.11624	0.5
314.06708	0.6
317.17966	0.8
318.18292	1.5
319.19489	8.9
337.20505	14.0
360.22208	2.1
439.19656	0.8
443.18701	1.1
445.94791	0.4
455.18484	0.6
473.07840	0.5
473.19922	3.2
486.29221	0.4
499.21429	2.9
502.26236	5.7
515.15308	0.6
558.28699	13.9
618.22992	7.4
618.30975	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	618.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
55.57259	0.3
56.05035	1.3
56.96304	0.4
56.96568	5.4
58.06604	0.8
60.08164	6.3
67.05488	0.9
69.07056	0.4
69.67148	2.1
71.07376	5.4
71.95270	0.9
72.08148	0.9
72.96056	0.5
78.11795	0.4
81.07044	0.8
83.08563	0.4
84.10320	0.3
84.96027	1.6
86.09707	20.1
87.64140	0.4
95.08615	0.7
96.03464	0.4
98.97588	1.7
102.92612	1.2
104.10745	100.0
109.30007	0.4
110.97624	0.7
112.99153	0.5
116.98643	0.7
118.92075	1.0
124.99169	0.5
125.00013	1.7
125.00797	0.4
128.98619	1.3
136.93138	2.8
143.00182	1.2
144.98022	0.5
154.94185	4.3
155.00189	0.5
161.01204	0.9
162.94623	2.1
172.95268	4.2
177.95732	0.4
180.95750	8.7
182.99651	0.6
184.07356	1.3
190.96284	1.3
192.95856	0.5
198.96806	19.1
201.00720	0.7
203.40170	0.4
203.97394	0.6
210.96796	1.8
216.97864	7.2
216.99802	0.7
221.98370	2.2
228.97829	2.5
239.99466	0.5
240.09880	2.1
254.99446	1.5
258.04208	0.5
264.96896	0.6
273.00409	0.4
275.05069	0.4
282.04199	1.0
282.98068	0.5
283.98126	0.5
300.05103	0.8
314.06821	0.9
317.17908	0.9
318.18341	1.5
319.19446	14.2
320.19867	0.4
337.20511	17.3
337.27026	0.7
355.21616	0.4
360.22107	3.7
399.15860	0.7
439.19376	1.7
443.18887	1.0
455.18591	1.8
473.19708	5.2
496.21127	1.0
499.21277	4.8
502.26053	9.1
502.32816	0.8
506.73563	1.2
558.28680	17.3
574.70935	0.4
618.22845	7.6
618.30853	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	615.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.05501	8.0
55.11889	3.0
57.07076	5.1
59.05001	7.6
67.05505	16.7
69.03424	7.2
69.07069	8.1
70.63802	6.9
70.64135	5.6
71.08566	2.8
79.05482	10.5
81.07063	23.2
83.08603	5.8
85.06551	14.5
85.62045	3.2
88.58980	2.6
89.06042	7.1
91.05479	22.8
93.07025	33.8
95.04987	4.6
95.08611	30.8
105.07026	30.4
107.08612	20.9
109.06567	5.6
109.10156	16.8
111.08062	4.3
117.07013	7.3
119.08569	50.0
121.06515	4.8
121.10157	21.0
123.08058	23.4
123.11731	5.9
125.06033	4.0
125.09653	10.3
129.06955	3.3
130.07774	3.5
131.08588	18.3
133.06505	2.9
133.10141	37.3
135.08070	6.5
135.11722	10.2
137.09625	8.3
142.07790	10.5
143.08560	10.6
145.10149	26.0
145.24904	3.2
147.08075	9.8
147.11688	16.3
149.09627	9.4
151.07532	23.3
151.11209	7.8
155.08592	6.5
156.09364	6.8
157.10143	17.7
159.11713	12.7
161.09669	6.1
161.13249	6.9
163.11244	5.0
165.09064	16.2
167.08652	5.4
169.10216	4.8
171.11728	11.3
173.13263	12.0
175.11177	6.3
175.14844	10.5
181.07121	3.1
181.12250	8.4
183.11742	9.2
185.13301	9.0
189.12782	10.0
191.14467	4.3
195.11766	6.3
195.13565	3.1
197.13280	5.0
199.14981	2.9
201.12926	3.2
203.14430	10.2
207.11942	5.0
207.13861	14.4
209.13231	4.9
211.11368	3.0
211.13300	8.1
221.13402	4.9
221.15361	62.9
223.15054	4.0
223.17044	8.2
241.78732	3.1
251.16458	4.9
275.18173	3.7
299.19791	4.6
303.23035	3.6
375.26740	4.6
378.88965	3.0
403.30118	3.3
436.06580	2.7
488.32156	3.2
491.35205	8.4
565.39990	3.6
583.41162	21.6
597.43146	6.6
615.44122	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18521	1.4
55.05511	7.9
57.07060	1.9
67.05515	5.7
69.07069	10.5
70.08652	4.8
79.05493	6.0
81.07063	13.1
82.18755	1.1
83.08621	4.4
83.17054	1.0
91.05481	5.1
92.11693	1.1
93.07050	12.0
95.01302	1.7
95.08613	37.4
97.10163	4.8
98.65990	1.1
105.07030	14.4
107.08607	27.2
109.09465	2.2
109.10161	23.1
111.08093	1.6
111.11768	1.5
119.08598	27.0
121.10155	20.9
123.08080	2.1
123.11695	8.8
131.08554	3.9
133.10133	23.1
135.11690	18.6
137.03320	1.2
137.13246	2.3
141.01807	3.5
145.10136	5.1
147.11696	17.9
149.13268	11.4
153.09090	2.3
157.10086	1.5
159.11711	3.1
161.13271	12.1
163.14833	11.8
167.10684	3.8
173.13283	2.7
175.14815	11.2
177.16451	6.3
187.14821	8.6
189.16379	31.0
190.22758	1.2
191.17964	100.0
201.16432	9.6
203.17967	87.8
205.19560	8.9
215.17982	2.8
217.19507	9.9
221.19026	3.1
229.19525	2.2
231.17400	3.0
231.21118	3.3
235.16978	3.9
247.16920	3.3
249.18504	26.8
255.79111	1.4
281.98831	1.2
365.19467	1.5
379.21136	1.6
393.35196	9.1
406.46799	1.4
411.36221	3.0
439.35754	34.3
569.38293	5.2
597.37433	2.9
615.38904	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	614.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	5.5
58.06604	1.9
65.03928	0.8
68.05019	0.3
69.08996	0.3
70.06600	15.2
71.08636	2.4
74.06079	0.4
85.10159	0.9
88.07637	18.8
88.77319	0.3
93.06298	0.3
102.09187	14.3
105.03400	0.5
131.04929	0.6
139.03876	0.3
140.00406	0.3
147.04419	0.3
149.02357	36.8
152.54343	0.3
153.06941	0.3
167.68523	0.3
170.49640	0.3
175.03987	0.6
185.05524	0.3
193.04979	45.6
194.05328	0.3
212.23755	1.0
219.06604	1.0
225.05490	0.9
228.31418	0.3
256.26370	38.3
269.04520	1.9
297.04047	2.0
313.07138	2.5
331.93213	0.3
341.03400	0.2
341.06564	10.7
359.07666	5.1
385.09207	43.9
386.09412	0.4
401.57730	0.3
582.24371	0.7
596.31628	0.4
614.33270	100.0
615.33350	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	6.4
56.05026	0.6
57.05798	1.3
58.62938	0.5
60.04527	1.2
68.04730	0.5
68.05036	6.4
69.07056	0.7
69.57182	2.6
70.06604	4.3
72.08160	38.2
74.02427	2.7
74.07083	0.5
79.05492	1.2
80.42482	0.5
81.07036	0.8
83.06094	1.6
84.04511	1.2
84.08134	1.6
85.02908	0.7
86.09708	5.2
89.03903	0.5
91.05485	3.8
93.07053	0.8
95.04962	0.4
95.08622	0.6
97.02883	0.6
99.04491	0.5
99.09229	0.7
103.05460	1.5
105.07005	0.7
106.06561	0.5
107.04939	1.3
109.06505	0.6
109.10151	1.2
110.46663	0.4
118.06523	0.9
119.04964	0.6
119.08544	0.5
120.08109	7.2
121.06527	1.1
127.03863	0.5
127.08685	0.9
129.06927	0.6
129.10229	0.6
130.06525	0.7
133.10146	0.7
136.07637	0.6
137.09642	2.2
139.07516	0.5
143.08592	0.8
144.08095	1.1
145.02832	0.9
146.06018	2.8
147.08072	1.1
154.06528	1.1
155.07271	0.7
156.09357	0.5
161.09621	3.9
165.09103	4.6
166.08684	0.9
167.07272	0.5
173.12924	0.6
177.05505	1.2
179.10638	0.5
180.11346	0.8
189.09091	0.6
193.08788	1.0
202.07887	0.7
204.08072	0.8
205.08835	0.6
206.09575	0.7
207.10210	3.7
208.10953	0.8
209.06917	2.3
217.08875	1.6
217.12297	0.7
218.09666	10.0
219.10489	3.7
220.11227	5.6
225.11171	2.9
230.09631	6.3
231.10393	5.0
232.11237	9.4
234.12833	1.4
235.12395	0.7
236.13696	0.5
241.08917	0.8
242.09724	2.5
243.10457	2.1
244.11229	14.7
244.13554	0.9
245.10699	1.0
246.09169	13.1
246.12971	0.6
247.12311	0.9
248.10765	4.6
249.13831	2.0
253.14449	1.2
254.14732	0.7
257.10812	0.7
258.09152	2.9
258.11588	2.1
259.09894	9.1
259.12369	9.7
260.10718	39.8
261.11072	0.8
261.13889	9.8
263.11810	1.3
269.10825	0.9
270.09149	1.8
271.12341	1.9
272.10669	4.2
274.08676	1.7
276.10107	1.1
277.13333	11.9
278.11832	1.8
286.13434	0.6
287.11819	9.8
288.10120	2.2
289.13330	0.6
290.11765	12.1
293.12775	3.9
295.14206	0.6
298.08536	0.6
304.14490	4.2
305.12866	28.7
307.14423	1.3
315.11243	1.0
316.09610	1.6
332.13968	2.8
333.12344	23.1
343.40869	0.5
345.52847	0.5
350.14996	100.0
351.15146	0.9
359.17535	0.5
376.20288	2.2
403.21271	0.9
404.19717	0.9
409.20291	0.5
415.16611	0.8
417.17688	0.8
431.20782	4.2
432.19296	6.5
449.21860	26.4
467.22998	0.8
497.21875	1.2
498.20016	1.3
515.22900	5.5
552.30035	0.7
596.27826	5.7
614.29663	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03948	2.7
55.01871	0.8
55.05268	1.0
55.05515	12.5
56.12519	0.6
57.03435	4.4
57.07083	3.3
59.04999	0.6
60.41409	0.7
62.41393	0.7
65.03940	1.8
66.12064	0.5
67.05508	39.1
69.07068	12.7
70.67768	1.5
71.04996	1.6
71.08661	0.7
79.05494	22.9
79.37099	0.7
79.59174	0.7
81.07057	43.0
83.04987	1.3
83.08613	7.0
85.06532	1.8
90.75220	0.6
91.05485	19.2
93.07045	30.4
95.04969	2.2
95.08608	37.5
97.06529	2.3
97.10172	3.7
99.08114	1.1
105.04554	0.9
105.07034	19.3
107.08594	19.7
109.10163	18.0
111.08099	1.9
116.84644	0.6
117.07010	8.0
119.08582	19.8
119.09368	1.2
121.10151	13.5
123.08110	1.1
123.11705	7.9
125.09633	0.8
129.07001	3.1
131.08566	13.6
131.09526	0.8
133.10133	16.9
135.11700	12.4
137.13264	1.6
139.11177	0.7
141.07022	1.4
143.08545	5.1
145.10126	13.8
147.11691	12.6
149.09630	1.1
149.13277	7.1
151.07510	0.8
151.14763	1.3
155.08583	2.2
157.10120	5.1
159.11702	10.6
161.13245	7.9
163.14859	3.4
169.10153	1.3
171.11702	4.9
173.13278	9.2
175.14819	4.0
177.16418	1.5
177.51480	0.6
181.10214	0.9
183.11699	1.9
185.13202	4.1
187.14851	5.4
189.16438	2.9
195.11821	1.0
197.13271	1.5
199.14839	2.6
201.16331	3.3
203.18015	1.8
205.19751	1.0
211.14960	1.0
213.16432	2.6
215.18018	1.1
217.19461	1.0
223.14801	0.8
225.16487	1.1
227.18059	1.6
231.17651	0.6
241.19583	2.1
243.21045	1.4
245.22626	1.0
247.20558	0.8
257.19101	1.1
259.20633	7.1
261.22165	9.1
273.22122	1.1
275.23792	1.0
279.23239	1.1
287.23712	1.6
299.23694	1.5
301.25208	0.9
313.25558	0.9
315.23035	0.7
317.24872	1.4
323.25696	0.9
327.27032	1.0
333.24191	5.9
335.25821	13.2
337.27448	8.1
341.28458	1.1
347.25995	1.0
349.27396	0.9
353.27496	0.7
355.29932	0.9
461.31775	0.7
475.34778	0.9
489.36047	1.0
501.35712	1.1
503.37247	2.0
517.38995	1.3
521.43671	4.4
529.38800	1.1
539.44537	3.0
543.40717	1.8
595.47266	11.6
613.48273	100.0
614.48553	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.59734	0.7
52.36891	0.8
53.03927	2.7
55.01865	1.1
55.05272	1.2
55.05513	13.6
57.03429	3.4
57.07061	3.3
59.37852	0.8
65.03915	1.6
67.05506	36.9
69.07072	14.4
70.80911	1.9
71.04994	1.2
71.08613	1.5
79.05493	20.4
79.37019	0.8
81.07057	42.7
83.04942	1.0
83.08620	7.2
85.06548	1.4
85.10224	0.9
91.05483	16.2
93.07042	30.3
95.04944	2.1
95.08612	32.8
97.06536	2.3
97.10174	4.8
98.21320	1.5
99.08085	1.4
105.07039	18.2
107.08601	17.4
109.10156	16.4
111.08098	1.7
111.11695	0.8
117.07023	8.0
119.08592	16.5
121.10143	14.8
123.11693	8.3
125.09604	1.1
128.06236	1.1
129.07021	3.0
131.08553	12.8
133.10129	14.5
135.11700	11.0
137.06047	0.9
137.09607	1.0
137.13281	2.8
139.11192	1.0
143.08585	4.2
145.10130	14.7
146.73563	0.9
147.11703	10.6
149.09573	0.8
149.13283	6.2
151.14790	1.4
155.08540	1.1
156.09276	0.9
157.10153	5.4
157.11330	0.9
159.11699	10.3
161.13263	6.9
163.14801	2.7
169.10138	1.9
171.10454	0.7
171.11662	4.2
173.13271	9.1
175.14813	3.8
177.12701	0.9
185.13318	3.9
187.14848	5.5
189.16409	2.2
197.13170	1.2
199.14868	3.1
201.16420	2.7
203.17949	1.6
205.19600	0.8
211.14891	1.6
213.16478	2.1
215.18008	1.8
217.19582	1.1
225.16443	0.9
227.18208	1.2
229.19473	1.1
239.17851	0.8
241.19572	3.2
243.21104	2.2
245.22662	1.0
259.20584	6.1
259.22934	1.1
261.22162	7.4
263.23825	1.6
273.22113	0.9
277.18198	1.0
277.21744	1.4
279.61920	0.8
285.22012	1.3
287.23935	0.9
301.25146	1.2
309.23773	0.8
313.25320	1.2
315.23273	0.9
317.24884	1.4
321.24588	1.2
326.17538	0.9
333.24380	4.8
335.25821	10.6
337.27435	7.5
355.30090	1.1
421.29282	0.9
429.33582	0.9
430.70496	0.8
447.31534	0.8
477.36145	1.1
489.35803	0.9
503.37088	1.1
517.39081	1.5
521.43616	4.3
531.40186	1.3
539.44580	2.3
543.40637	1.7
595.47241	13.2
613.48260	100.0
614.48663	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	30.9
58.76196	0.8
62.19205	0.8
67.05474	1.4
71.23560	1.3
71.95255	3.0
72.96046	1.0
74.97621	0.9
83.67039	1.0
84.96049	5.5
93.07011	1.1
94.91885	0.9
95.08604	1.3
98.91888	1.1
98.97583	81.6
105.07004	0.9
110.97556	4.8
112.99138	33.4
112.99946	1.6
116.98619	28.7
124.99121	3.4
128.98598	7.0
131.00168	41.3
131.80724	1.0
134.99683	7.6
140.00192	4.8
140.98596	1.7
143.00169	8.4
144.98041	1.7
146.98582	1.0
146.99661	3.8
149.01213	21.1
152.98651	1.0
154.01746	4.8
154.19467	0.9
157.01656	1.4
158.01256	1.4
158.99661	34.6
161.01212	7.0
167.02275	2.5
167.96518	1.0
170.99628	4.5
172.02765	4.1
172.22200	1.1
173.01233	8.6
175.02779	1.8
177.00717	34.8
185.01266	5.0
189.00720	3.6
191.02257	7.7
195.01746	3.0
199.02780	10.4
200.02261	7.1
201.00702	1.4
203.02242	5.2
209.01236	2.3
215.02206	2.8
217.03880	5.0
219.01767	7.2
227.02280	3.0
233.03307	2.8
237.02864	6.0
240.05406	1.4
275.04349	17.6
293.05423	48.6
309.04816	1.6
311.06519	8.4
316.07007	10.4
317.17877	100.0
334.08069	2.7
335.18890	27.0
335.89545	0.9
358.20529	14.7
377.19995	9.7
391.21432	4.0
403.21356	1.5
479.38110	1.0
495.34772	1.0
497.24243	6.3
501.92419	0.9
512.78082	0.9
553.26849	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
53.03933	0.9
55.01863	0.7
65.03943	2.8
67.05498	1.3
69.03412	0.8
69.07060	0.5
69.95918	0.5
69.96328	1.2
70.06603	1.6
72.08154	0.7
74.63719	0.3
76.86183	0.3
78.04720	2.7
79.05505	2.0
81.03410	1.0
81.07093	0.6
82.04211	0.7
84.08125	0.7
85.02911	1.9
86.09697	1.3
91.05484	4.6
93.03403	1.4
93.07043	0.7
94.04173	0.4
95.04977	1.4
95.08554	0.5
97.02885	0.8
97.06503	0.7
99.04417	0.4
102.04575	0.4
103.05470	3.2
105.03448	0.6
105.04558	0.3
105.07025	1.4
106.04194	2.2
107.04947	3.1
107.08614	0.3
108.02091	0.5
109.02839	0.4
109.06501	0.5
110.03674	1.8
110.07185	0.5
111.04446	1.1
115.05463	5.9
117.07018	8.3
118.04149	0.4
119.04967	3.6
119.08571	0.6
120.08079	0.6
121.06507	2.2
121.10123	0.4
122.03658	0.9
122.06855	0.4
123.04442	8.8
124.05220	2.2
125.05972	1.2
127.05457	1.3
129.07042	0.5
129.10185	0.4
131.04950	2.2
131.08539	0.4
133.02835	0.6
133.06473	1.3
135.04413	0.6
137.05966	5.3
138.03061	0.4
142.02597	1.0
143.04924	0.9
144.05666	0.7
145.02878	0.6
145.06494	12.7
145.07660	0.6
147.04393	3.7
147.08032	1.0
148.05205	0.4
149.05957	0.9
151.03926	4.4
151.05052	0.3
151.07541	0.9
151.64886	0.4
152.04654	2.6
153.05487	2.9
154.06239	0.3
155.04855	0.6
155.06042	6.1
155.07156	0.3
158.28932	0.3
160.05208	0.7
161.06007	1.8
163.03894	0.5
163.07562	1.1
164.07060	0.3
164.99977	0.3
165.05504	1.1
167.07045	100.0
168.07419	1.0
171.06546	1.5
172.05260	0.4
173.05992	24.0
173.13171	0.3
175.07521	1.6
176.04634	0.4
177.05537	1.7
179.07069	1.4
181.04964	37.0
183.06725	0.4
185.05984	0.4
187.07687	0.4
188.04665	0.5
189.05478	0.4
190.06285	0.4
191.07025	5.4
193.08571	0.6
195.06458	0.6
198.06902	0.3
201.05446	1.0
203.07074	1.3
205.06670	0.3
205.08620	5.3
207.06477	0.7
207.10202	0.5
209.08078	0.7
211.57932	0.3
217.08574	0.6
219.06416	0.4
219.10251	0.3
221.07968	0.4
231.06595	0.6
233.08086	5.5
234.06683	0.5
235.07556	0.7
235.09656	6.2
236.08311	0.3
247.07501	0.3
250.06126	0.5
251.07083	0.3
253.10902	0.3
263.09171	1.3
264.07697	0.6
265.08640	0.4
267.06671	0.5
271.09595	0.5
281.07956	0.5
283.09872	0.5
285.08032	0.3
292.06973	0.4
293.08096	0.6
295.09616	0.6
297.11450	0.5
310.08270	0.4
311.08862	0.4
315.08707	0.6
323.09091	0.5
325.10840	0.8
327.08841	0.3
331.11731	0.4
342.10721	0.4
353.10251	0.3
357.13382	3.7
367.11938	0.8
381.13477	0.4
385.12830	16.8
386.13278	0.6
387.14398	5.1
399.14182	0.4
415.16681	0.7
417.15460	11.0
459.16507	0.5
476.16220	0.6
583.21582	2.2
613.22797	52.9
614.22821	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2282
Annotation	C11830
Peak:m/z	Relative Intensity
51.71124	0.2
53.03941	0.5
55.01858	0.6
55.05509	0.4
59.36565	0.3
59.88308	0.3
65.03946	2.3
66.04723	0.3
67.05482	0.8
69.03419	0.6
70.06598	3.5
70.28658	0.6
70.29018	0.6
72.08132	1.1
78.04710	3.0
79.05500	1.6
81.03405	0.5
81.07012	0.4
82.04183	0.6
84.04485	0.6
84.08157	1.4
85.02911	1.8
86.09691	1.0
91.05482	4.4
93.03390	1.0
93.07042	0.3
95.04955	1.1
97.02887	0.6
97.06518	0.6
101.35409	0.3
103.05471	2.6
104.47491	0.3
105.03392	0.3
105.07023	0.6
106.04193	2.2
107.04957	2.0
108.02086	0.4
109.06502	0.3
110.03643	1.4
110.07088	0.4
111.04423	0.9
115.05460	5.2
117.07021	9.1
119.04934	4.0
119.08630	0.3
120.08097	0.7
121.06522	0.6
122.03629	0.6
123.04432	6.6
124.05226	2.4
125.06024	1.3
127.05457	1.4
129.07013	0.4
129.10249	0.9
131.04947	1.1
133.02838	0.5
133.06540	0.5
134.03647	0.7
135.04384	0.5
136.07573	0.3
137.05971	5.4
138.03116	0.6
142.02602	0.8
143.04956	0.8
144.05740	0.6
145.02820	0.5
145.06488	12.0
147.04420	4.7
147.08051	0.5
151.03896	1.9
151.07536	0.6
152.04681	2.0
152.92317	0.3
153.05449	2.5
155.04845	0.6
155.06026	6.1
155.07153	0.5
155.08121	0.4
160.05219	0.4
161.05971	1.1
163.03876	0.3
164.07082	0.3
165.05426	0.8
167.07040	100.0
168.07382	0.5
171.06442	0.7
173.05988	23.1
174.06740	0.4
175.07556	1.3
177.05458	1.2
179.07024	1.2
181.04958	32.6
189.05463	0.4
191.07018	0.9
201.05525	0.8
203.07016	1.2
205.08604	5.4
207.06458	0.3
209.08054	0.3
219.06456	0.4
222.06935	0.3
231.06520	1.0
233.05925	0.6
233.08067	4.0
235.07539	0.5
235.09636	4.9
250.06029	0.4
253.03676	0.3
265.08594	0.5
267.06500	0.4
280.10834	0.3
283.09824	0.6
289.15704	0.3
293.08167	0.8
295.06174	0.4
297.11377	0.5
299.08823	0.3
310.08289	0.6
311.09293	0.3
317.06693	0.4
325.10669	0.8
326.11581	0.5
327.12195	0.3
329.13702	0.5
337.11249	0.3
353.10333	0.4
355.11691	0.6
357.13330	3.0
359.29300	0.3
370.10202	0.4
385.12823	18.1
386.13501	0.5
387.14368	4.3
411.14383	0.4
417.15430	10.1
541.91138	0.3
583.21631	4.0
613.22797	57.5
614.23560	0.7
625.87109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01863	4.0
65.03613	1.9
65.03938	20.6
67.05486	5.2
69.03417	1.9
70.06586	3.5
71.01339	1.6
71.04998	1.5
71.51866	1.8
75.04491	1.5
79.05480	6.1
81.03410	3.6
81.07048	4.8
82.04183	4.4
84.04476	1.3
84.08119	1.8
85.02887	4.2
91.05473	8.9
93.03415	13.1
93.07037	3.3
95.01349	2.8
95.04968	2.9
95.08595	2.1
97.06487	2.8
97.56827	1.6
103.05457	5.0
105.03387	2.0
105.04581	1.6
105.07015	6.5
107.04929	5.3
107.08607	1.6
108.02066	2.6
109.06514	3.2
109.10187	1.7
110.03663	22.3
111.04428	21.1
115.05456	3.4
117.03372	5.2
117.07021	4.5
119.04916	3.0
119.08556	1.8
120.05723	1.7
121.02853	13.6
121.06435	3.2
123.04412	4.1
124.05249	2.2
125.02390	1.5
125.05996	26.3
129.07001	2.4
131.04910	3.6
133.02817	3.0
133.06473	3.7
134.03552	1.6
135.04370	1.8
137.06007	10.4
138.03108	3.9
140.04672	1.7
143.08452	1.5
145.02866	10.8
145.06488	5.5
146.03130	3.2
147.04370	3.6
147.08109	1.7
148.05156	2.2
149.02298	1.8
149.05956	4.4
151.03868	4.6
151.04968	2.2
151.07510	3.4
153.05470	100.0
155.07062	1.9
159.08018	5.2
161.05962	8.6
163.03885	3.6
163.07545	2.1
165.05469	5.3
165.06912	2.3
167.07037	42.6
168.07358	1.7
171.06425	1.6
173.05992	6.8
173.09438	1.7
175.07549	5.8
177.05472	21.8
177.06918	2.7
178.05806	5.2
179.07074	3.2
179.08444	1.7
181.04968	43.5
181.06436	2.4
182.07266	1.8
185.64493	1.5
187.07515	2.2
189.05457	4.1
191.06987	6.3
191.08510	3.0
194.07237	2.0
195.08110	3.3
199.07539	2.9
201.05365	1.9
203.07033	2.5
205.06673	3.1
205.08662	4.1
207.06517	4.4
207.08176	1.7
208.05478	1.4
208.07269	3.6
209.07996	1.9
210.06738	2.2
211.07471	2.4
213.06586	1.5
216.07849	2.6
218.07280	3.2
219.08032	3.6
221.05945	2.0
223.07492	3.6
224.08252	2.2
225.07423	10.5
225.09396	2.8
226.06250	2.0
226.08356	2.1
229.08595	2.4
235.07480	3.4
236.08221	2.2
237.09306	1.7
239.07056	5.8
239.10625	2.8
240.07777	3.3
247.07364	2.3
247.09796	11.6
251.07033	3.7
251.10564	5.2
253.08611	10.7
254.09381	4.4
264.07721	2.3
265.08652	4.6
266.05649	1.9
266.09143	2.9
267.10056	3.1
269.11621	4.2
277.08511	1.8
279.10141	2.8
281.08029	2.6
282.08835	2.6
283.09589	2.2
294.08768	2.8
295.09619	2.0
296.10190	1.6
297.08182	1.5
297.11240	8.7
307.09573	7.3
309.11154	1.8
310.08707	1.6
311.09351	2.5
315.08368	1.8
319.09488	1.8
323.09213	1.7
325.10721	51.7
327.12231	2.5
329.13824	2.8
337.10599	2.4
339.12283	29.6
340.12900	3.4
341.13724	2.6
351.12436	7.9
355.11829	3.6
357.08856	2.8
357.13309	56.0
369.13214	6.6
370.14111	3.3
370.88641	1.6
385.12637	3.1
387.14255	5.0
417.15201	5.4
451.10974	2.0
569.41217	1.6
613.22449	11.5
613.31543	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94441	0.8
52.06458	0.8
53.03931	1.6
55.01854	2.7
65.03941	6.2
65.31909	0.8
67.05492	2.8
69.03425	1.5
70.06594	2.6
70.51505	1.9
70.51840	1.2
71.01360	2.1
72.08141	1.3
79.05492	4.8
81.03407	3.3
81.07019	1.7
82.04153	1.0
84.04493	0.9
84.08141	2.0
85.02880	3.3
86.09687	2.4
87.50123	0.9
91.05495	5.3
93.03407	2.1
93.07055	1.1
94.04182	1.7
95.04956	3.9
97.06515	1.3
103.05471	19.2
105.03371	2.3
105.07005	3.1
107.04977	5.2
108.02122	1.9
109.06511	3.3
110.03680	1.8
111.04461	2.5
115.05489	4.1
117.06998	3.6
118.04185	4.0
119.04919	3.0
119.08556	1.6
120.08101	0.9
121.06491	3.7
122.03660	5.1
123.04456	4.1
123.11676	0.9
124.05136	0.9
125.05981	2.3
128.06168	1.4
129.06985	2.1
129.10268	1.0
131.04935	27.1
132.05692	1.2
133.02855	4.0
133.06519	4.8
135.04358	1.3
135.08057	2.1
137.05981	71.6
140.04646	1.3
141.05408	1.7
142.02615	1.1
143.04958	1.4
144.05725	1.4
145.02809	1.2
145.06538	4.3
145.07582	0.9
147.04393	1.8
147.08054	1.8
148.05193	9.3
149.06042	3.9
150.06802	0.9
151.03915	79.5
151.05022	6.1
151.07504	1.7
152.04666	1.4
153.05475	4.4
155.07022	2.2
157.06445	1.6
160.05154	1.6
161.05974	4.4
163.06169	1.1
163.07544	20.4
165.05499	7.6
167.07036	15.9
171.04358	1.4
171.06619	1.8
173.05977	5.1
174.06818	1.0
175.03860	0.9
175.07568	7.0
176.04630	1.9
177.05418	5.1
178.05934	1.0
179.07065	2.4
180.07819	2.9
181.04962	53.8
183.06435	1.2
184.46812	0.8
187.07533	3.0
189.05508	1.2
189.09206	1.6
191.07037	100.0
192.07722	1.0
193.05067	4.3
193.08647	1.5
194.07198	0.8
195.06456	2.7
197.08041	1.1
199.07646	1.2
201.05467	1.6
203.07011	3.1
205.06636	1.3
205.08572	4.9
207.06491	4.1
207.08232	1.5
207.10013	1.5
208.07297	5.5
209.08084	4.3
215.07062	0.9
217.08708	1.6
219.10144	2.2
221.07954	1.2
223.09592	1.3
225.07570	15.1
226.08345	2.7
233.06004	1.0
233.08015	4.3
235.07538	1.9
235.09633	3.3
237.09213	1.9
247.07408	1.1
263.07025	0.8
263.09207	11.6
265.08554	2.4
266.09378	1.0
267.06659	0.8
267.10236	1.4
277.08588	1.4
289.05219	1.1
293.08023	2.3
295.09506	2.6
307.09589	1.3
309.11096	2.1
325.10721	1.5
327.12225	2.8
329.13858	1.9
337.10632	2.3
341.13501	1.2
343.12152	1.1
347.25244	1.2
351.12360	1.4
355.11816	7.8
357.13123	2.8
369.13336	3.2
387.14389	24.7
417.15765	1.1
483.70706	1.3
569.32062	1.1
579.13965	0.9
613.24487	1.4
613.31543	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	613.2278
Annotation	C11830
Peak:m/z	Relative Intensity
53.03936	0.6
55.01854	0.8
65.03938	2.7
67.05485	0.7
69.03419	0.6
69.07049	0.3
70.06573	0.4
70.09972	0.7
72.08134	0.2
77.03903	0.4
78.04337	0.2
78.04704	2.8
79.05491	1.8
81.03402	0.8
81.07041	0.4
82.00559	0.3
82.04192	0.8
84.04468	0.2
85.02902	1.6
86.09679	0.2
91.04985	0.4
91.05484	5.3
93.03397	1.0
93.07032	0.3
94.04169	0.4
95.04958	1.3
95.08572	0.3
97.06506	0.9
102.04659	0.2
103.05472	2.9
105.03385	0.3
105.04539	0.3
105.07005	0.6
106.04177	1.9
107.04945	2.2
108.02062	0.5
109.02836	0.2
110.03676	1.5
111.04436	0.8
111.08102	0.2
115.05463	5.4
116.06198	0.3
117.07018	9.5
119.04118	0.3
119.04942	4.5
119.08606	0.4
121.06500	1.0
122.03615	0.7
122.06879	0.3
123.00793	0.4
123.04430	7.3
123.28973	0.2
124.05211	2.9
125.05968	1.1
126.55016	0.2
127.05445	1.2
128.06216	0.5
131.04897	1.2
132.05717	0.3
133.02829	0.3
133.06447	0.5
134.03627	0.5
135.04427	0.6
137.05975	6.6
138.03127	0.7
142.02676	1.0
143.04910	0.9
144.05707	0.7
145.02802	0.4
145.06490	13.3
147.04404	3.8
147.08049	0.8
149.05997	0.6
151.03915	3.2
151.07518	0.9
152.04678	2.1
153.05464	2.8
155.05013	0.4
155.06032	6.8
156.05760	0.3
158.03589	0.3
159.04405	0.4
160.05139	0.4
161.05983	0.7
162.06746	0.3
163.07578	0.6
165.05455	1.0
167.07040	100.0
168.07387	0.5
171.04355	0.4
171.06525	0.9
172.05109	0.3
173.05986	23.5
174.06779	0.3
175.07556	0.9
177.05481	1.0
179.07060	1.2
181.04958	34.9
182.05223	0.2
187.03929	0.5
188.04483	0.3
189.05460	0.2
190.06248	0.3
190.34496	0.2
191.07025	2.2
193.08629	0.3
201.05511	1.0
203.07047	1.6
205.08598	4.9
207.08151	0.2
207.10023	0.3
213.05429	0.2
219.06520	0.5
221.06157	0.2
221.08128	0.4
231.06558	0.7
233.05884	0.5
233.08078	4.9
235.07524	0.4
235.09642	4.7
247.07689	0.3
250.06169	0.4
251.06937	0.3
255.09946	0.3
264.14108	0.2
265.08606	0.5
267.10083	0.2
282.08850	0.3
283.09631	0.3
293.08008	0.6
295.09723	0.3
297.11273	0.6
299.09326	0.3
310.08246	0.7
323.09024	0.3
325.10693	0.8
326.11646	0.2
327.12109	0.5
329.13809	0.3
339.12280	0.3
353.10074	0.3
355.11719	0.6
357.13364	2.5
369.13480	0.3
370.14270	0.3
372.12604	0.3
381.13339	0.2
385.12814	16.0
386.13397	0.4
387.14374	5.2
399.14532	0.3
417.15442	9.8
476.16098	0.4
515.17102	0.2
579.63403	0.3
583.21594	2.4
613.22797	47.0
614.23383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.3
53.03944	0.5
55.01860	0.6
56.96541	0.3
65.03942	2.3
66.04698	0.3
67.05492	1.0
69.03404	0.9
69.07015	0.4
69.52757	1.8
70.06593	1.9
72.08157	0.4
77.03897	0.3
78.04719	2.4
79.05489	1.5
81.03403	0.9
81.07050	0.9
82.00482	0.3
82.04185	0.7
84.04510	0.4
84.08128	1.0
85.02917	1.4
86.09708	1.3
89.03846	0.3
91.05484	4.5
93.03384	1.2
94.04185	0.5
95.04967	1.6
97.02838	0.4
97.06507	0.9
103.05462	2.0
103.13845	0.3
105.03385	0.4
105.04511	0.5
105.07034	0.5
105.82655	0.3
106.04165	2.2
107.04965	1.9
108.02078	0.4
109.06514	0.4
110.03633	1.1
111.04449	0.9
115.05460	4.8
116.06219	0.2
117.07017	8.4
117.07851	0.4
119.04948	4.1
119.08572	0.5
120.08086	0.3
121.06507	1.1
122.03625	0.7
123.03580	0.5
123.04430	7.5
124.05219	2.2
125.05970	1.0
127.05403	1.4
129.06998	0.3
130.04182	0.3
131.04921	1.2
132.05652	0.4
133.02847	0.4
133.06461	0.6
134.03610	0.5
135.04393	0.5
137.05980	7.8
138.03133	0.6
142.02606	1.0
143.04898	0.7
144.05708	0.6
145.02809	0.5
145.06488	11.8
145.07658	0.6
147.04425	3.7
147.08055	0.7
148.05162	0.3
149.05940	0.6
151.03900	2.8
151.07532	1.1
152.04689	1.7
153.05470	2.1
155.04936	0.4
155.06039	6.4
156.05824	0.3
160.05194	0.4
161.05984	1.2
163.03966	0.3
163.07542	0.4
165.05533	0.5
167.07037	100.0
168.07346	0.4
170.15947	0.3
171.06525	0.8
172.05095	0.3
173.05988	23.3
174.06815	0.3
175.07539	1.1
177.05478	1.0
179.07028	1.6
181.04956	33.3
189.05316	0.3
190.06213	0.6
191.07014	1.6
191.08575	0.3
193.08553	0.6
201.05435	0.8
203.07007	1.1
205.08601	4.3
207.06512	0.4
219.06499	0.3
221.08109	0.3
231.06522	0.9
233.08087	4.5
235.07541	0.4
235.09653	4.9
244.83684	0.3
247.07491	0.3
250.06206	0.3
251.07089	0.4
265.08591	0.4
277.08649	0.4
280.07336	0.3
280.93585	0.3
282.08990	0.3
283.09702	0.5
293.08228	0.7
295.06326	0.3
297.11343	0.8
299.09149	0.3
308.33585	0.3
310.08606	0.5
311.09195	0.5
325.10660	0.7
339.12201	0.4
342.11084	0.4
353.10471	0.3
357.13333	2.5
367.11472	0.4
369.13281	0.4
385.12814	15.7
387.14355	6.4
417.15436	12.8
583.21710	3.2
613.22760	48.2
614.22723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05520	19.8
57.03451	5.5
57.07059	2.8
67.05511	46.7
69.07080	19.1
71.04982	3.2
71.52832	2.3
75.04477	1.8
79.05501	34.4
81.07065	45.3
83.05005	3.8
83.08627	9.3
85.06543	3.4
91.05485	32.1
92.88629	1.9
93.07053	38.0
95.04978	3.6
95.08617	36.6
95.09183	3.5
97.10196	3.8
99.08116	2.1
103.05512	2.4
104.32040	1.8
105.07038	32.4
107.08606	23.9
109.06448	1.7
109.10162	15.9
111.08057	2.2
115.81223	1.8
117.07052	13.4
119.08598	28.8
121.10163	19.1
123.11716	4.9
129.07031	7.5
131.08578	21.1
133.10139	23.9
135.11737	9.9
141.07066	2.6
142.07866	2.5
143.08560	10.8
145.10161	22.1
147.11662	17.3
149.13242	4.8
155.08627	6.6
157.10136	10.7
159.11700	17.1
161.13226	9.4
163.14877	4.0
169.10184	6.6
171.11745	11.0
173.13252	13.3
175.14920	6.2
183.11737	6.2
185.13333	8.4
187.14868	7.0
189.16505	2.1
196.46674	2.2
197.13287	3.3
199.14891	5.9
201.16504	2.6
211.14865	2.2
214.26952	2.1
239.18091	2.7
241.19612	8.2
259.20593	15.9
261.22250	4.8
320.19342	1.9
333.24225	13.8
335.25882	20.7
487.24051	2.4
519.42224	6.0
537.43250	4.8
561.24237	2.6
593.26801	6.7
593.45758	10.4
611.27802	27.5
611.46887	100.0
612.48236	2.8
619.67432	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
62.06361	0.6
65.03926	1.0
67.05495	0.6
69.03430	1.0
70.06586	2.2
70.41407	1.3
74.09758	0.5
81.03384	1.1
84.08143	0.8
85.02901	1.1
86.09695	1.2
86.52100	0.5
90.15442	0.5
91.04906	0.6
91.05482	10.6
93.07047	14.9
95.04980	3.2
95.08585	0.9
97.02914	0.8
97.06522	0.8
101.02377	0.6
103.05466	11.4
105.04538	1.5
105.07061	0.7
107.04971	0.8
107.08583	0.6
109.10060	0.7
111.04461	0.8
115.05418	0.8
117.03358	0.8
117.07032	1.2
119.04916	1.1
119.08638	0.6
121.06507	100.0
123.04449	2.3
129.10210	0.8
131.04990	1.4
137.05980	2.0
138.05551	4.0
141.03375	1.2
143.04938	1.1
145.02890	2.0
145.06477	1.0
146.06062	1.1
147.04434	1.4
149.05994	0.9
151.03867	0.8
159.04356	1.0
161.05952	1.4
164.07074	6.4
165.05505	0.7
167.07063	4.1
173.06007	1.0
174.06747	4.9
175.07460	1.1
177.05515	3.2
177.06970	0.9
179.06964	0.7
181.04961	2.8
182.07103	0.6
187.03906	0.7
191.07079	2.5
195.08170	0.9
201.05388	58.2
205.06445	3.2
207.08119	0.9
219.08148	1.0
219.39185	0.6
220.05235	1.8
221.05957	5.6
222.06779	2.2
223.07590	2.7
223.20564	1.3
233.06000	2.4
234.06723	2.8
235.07579	5.3
237.05498	0.9
237.09142	4.5
244.06165	1.1
247.07564	1.8
248.04797	2.0
249.05431	4.1
250.06253	3.6
251.06999	3.1
252.07874	0.8
258.11282	9.0
263.07043	12.2
265.08588	9.6
266.05710	5.0
268.07306	19.9
279.06662	0.7
281.08136	1.6
283.09653	20.8
285.07684	0.7
287.03870	0.9
289.05368	1.5
291.06506	5.7
294.05292	0.7
299.09171	1.8
309.07562	56.8
310.07794	1.1
311.09268	2.1
345.23975	1.5
364.11795	7.2
444.63644	0.6
446.15985	46.0
447.16147	0.7
448.17682	4.6
474.15506	91.9
593.29541	1.5
611.22693	3.1
611.31409	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	611.2389
Annotation	Cannabisin C
Peak:m/z	Relative Intensity
51.02357	0.6
52.41233	0.4
53.03944	2.2
65.03941	0.4
67.05502	0.5
69.03432	0.7
69.07061	0.5
70.06570	1.4
70.70876	1.0
77.03907	0.9
81.03427	0.5
84.08155	0.6
85.02891	1.2
86.09694	1.0
91.05481	9.1
93.07044	13.8
95.04974	3.1
97.02869	1.2
102.04649	0.4
103.05468	9.3
104.93217	0.4
105.04475	1.7
105.07033	0.7
107.08569	0.9
109.02878	0.4
110.07172	0.5
115.05469	0.6
117.03375	1.1
119.04953	0.8
120.08076	0.6
120.72915	0.4
121.06505	90.9
123.04414	0.5
127.03855	0.6
131.04958	0.7
137.05959	1.2
141.03323	1.4
143.04971	0.5
145.02841	1.5
145.06493	0.9
146.06000	1.0
147.04410	0.5
148.14790	0.4
149.06012	0.5
151.03897	0.7
159.04436	0.5
164.07066	7.5
167.07033	2.8
173.05995	0.7
174.06795	5.0
175.07512	0.4
177.05495	2.0
181.04916	1.1
181.06357	0.4
186.03067	0.7
187.03864	2.3
191.07040	2.4
194.07350	0.5
197.05771	0.5
201.05376	64.2
202.05836	0.4
205.06473	2.0
207.06375	0.6
219.08020	1.4
220.05138	1.3
221.05994	5.0
222.06828	2.0
223.07547	2.4
225.09210	0.6
233.05978	2.6
234.06770	2.2
235.07523	6.2
237.05441	0.7
237.09108	5.5
238.06216	0.8
244.06004	1.5
247.07591	2.2
248.04645	2.0
249.05493	3.5
250.06245	3.3
251.07095	2.5
252.07800	1.1
258.11343	1.3
262.99240	0.4
263.07050	12.6
265.08591	9.2
266.05719	5.4
268.07303	24.2
278.05695	1.2
279.06348	0.6
281.08032	2.4
283.09634	23.2
291.06506	5.8
294.05154	1.0
299.09149	2.0
309.07562	63.3
311.09045	0.7
326.10052	1.1
364.11771	7.7
376.75986	0.4
446.15985	50.9
447.16254	0.7
474.15497	100.0
475.15704	1.4
611.22375	1.7
611.30511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.9
55.01871	4.3
55.05541	0.7
57.03428	0.8
59.04992	1.0
65.03938	2.6
67.05491	2.0
68.99786	2.8
69.03428	7.7
69.24999	0.6
69.25378	5.9
70.06594	7.3
71.01347	4.8
71.04984	1.7
72.08144	3.1
73.02915	5.2
75.04478	11.1
78.04712	1.7
79.05499	4.3
81.03408	3.8
81.07075	0.8
83.01349	4.9
83.04993	1.3
83.63714	0.7
84.04494	1.1
84.08124	2.9
85.02893	3.3
86.09700	4.0
87.04465	3.0
89.03915	6.2
91.04905	0.9
91.05481	14.7
93.07057	1.7
95.01327	2.8
95.04980	3.5
97.02894	15.0
98.97562	0.7
99.04463	1.7
101.02379	8.3
101.06018	3.4
103.05449	2.8
105.03438	1.0
105.04507	0.9
105.07025	1.3
106.04188	2.1
107.04952	5.6
108.02117	1.1
110.07185	1.6
111.04432	7.1
113.02382	2.6
115.03939	2.4
116.07089	1.5
117.03381	12.9
117.07008	1.4
118.04172	1.1
119.04950	15.0
120.08082	1.2
121.02882	0.8
121.06498	4.3
123.04439	3.2
124.05252	1.5
125.02345	3.9
125.05990	2.1
126.41109	0.6
127.03941	2.0
129.05484	11.9
129.10252	1.8
129.20937	0.8
131.04909	2.8
132.05724	0.7
133.02827	1.8
133.06468	1.9
134.03638	6.7
135.04407	5.8
136.05185	0.8
137.05991	2.7
139.03874	0.7
139.07533	1.1
140.04678	12.8
141.05441	1.6
143.03430	2.6
145.02832	6.1
145.06572	0.7
146.03644	1.7
147.04399	19.4
147.06459	1.0
148.05212	0.8
149.05994	10.0
150.06725	1.1
151.03908	100.0
151.04971	5.7
151.07545	1.9
153.05443	2.4
155.07034	8.6
157.03885	1.0
157.05006	1.5
157.06339	0.6
159.04471	1.1
160.05193	0.7
161.02231	0.9
161.05978	2.5
162.03137	4.4
163.03902	8.4
163.07613	1.1
164.04700	1.0
165.05496	2.7
167.07036	54.0
173.05927	2.1
175.03915	18.4
175.06013	2.1
175.07501	1.6
177.05479	32.4
178.02615	1.3
178.06235	6.7
179.07034	9.7
181.04961	5.3
185.16457	0.8
187.03955	0.9
189.05501	2.0
190.02658	4.0
191.03409	2.5
191.07103	2.0
192.07701	0.9
192.46173	0.7
193.07071	13.4
193.08614	1.4
195.06592	6.8
196.07343	5.0
201.05406	4.8
203.07100	1.8
205.04959	83.0
207.06523	20.8
207.08414	1.4
209.04373	0.8
217.04956	1.6
219.06552	3.5
223.05997	10.8
225.07637	0.9
231.06454	3.4
232.07347	5.4
233.08170	3.3
245.08064	1.0
247.05957	2.1
249.07574	4.4
251.05775	0.7
259.05963	2.1
287.05441	1.3
289.10629	0.9
303.04953	1.7
309.07556	1.4
323.09158	2.4
329.10184	0.7
339.08774	1.7
341.12668	1.0
343.11746	0.9
351.08701	2.8
353.10178	2.2
355.11761	2.6
359.23236	1.4
369.09497	23.2
383.11252	20.5
385.12939	0.8
397.11346	3.2
401.12222	3.4
415.12378	2.7
611.21191	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	611.1612
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03941	0.3
53.37002	0.1
55.05499	0.2
55.89937	0.1
57.03443	1.7
59.05021	0.2
61.02925	1.9
65.03935	0.1
67.05516	0.2
68.99799	0.3
69.03413	0.4
70.06600	0.8
70.86054	0.3
70.86404	0.1
71.04996	10.2
72.08150	0.3
73.02925	0.6
75.04472	0.4
75.54591	0.1
81.03415	0.4
83.04973	0.5
83.25184	0.1
84.04485	0.2
84.08155	0.2
85.02910	12.4
86.09704	0.3
87.04472	0.3
91.03951	1.1
91.05449	0.1
93.03398	0.3
93.07021	0.2
95.04949	0.2
97.02898	1.2
99.04456	0.3
102.62086	0.1
109.02890	0.5
111.00781	0.6
111.04458	0.5
115.03934	0.2
120.08090	0.3
121.02864	0.9
123.04415	0.3
124.31248	0.1
127.03918	0.4
129.05487	3.4
129.73128	0.1
135.04414	0.3
137.02344	2.4
137.03331	0.3
137.05971	0.3
145.04982	0.4
147.06546	1.2
149.02328	0.4
153.01840	2.9
155.04961	0.2
161.06007	0.3
163.03920	0.4
165.01843	1.6
166.02606	0.3
167.07069	0.2
170.84398	0.1
173.06001	0.4
177.05470	0.3
177.95546	0.1
179.03406	0.2
183.02921	0.7
187.03963	0.2
201.05467	1.2
213.05576	0.2
219.06554	0.2
227.05972	0.1
228.04175	0.2
229.04956	3.5
229.07048	0.2
241.07507	0.2
245.74757	0.2
247.06026	0.6
255.08878	0.2
257.04468	2.4
274.04736	0.6
275.05542	0.2
285.03998	1.3
287.05377	0.4
302.04172	0.1
303.04999	100.0
304.05347	0.8
345.06073	0.3
449.10693	0.3
465.10376	0.6
550.50555	0.1
575.16461	0.3
611.20795	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
64.40903	1.1
65.06300	1.0
65.15519	1.1
67.05508	2.4
69.07071	2.3
71.52800	1.4
79.05520	2.5
81.07052	2.4
85.34494	1.1
87.04477	1.6
89.06026	4.5
91.05490	2.2
93.07043	1.5
95.08610	1.6
105.07009	1.1
107.08578	1.9
109.10131	2.2
119.08601	1.6
121.10124	1.9
131.08604	1.6
133.08649	1.7
135.07983	1.1
142.68782	1.1
145.10150	1.7
149.13014	1.1
157.10237	1.1
159.11633	1.3
181.09970	1.3
214.26671	1.1
221.36946	1.1
232.30725	1.2
239.17961	1.4
243.15164	1.0
318.33160	1.1
391.19211	1.3
405.21115	2.7
407.22485	2.2
419.33005	1.2
421.24118	2.7
429.20682	1.2
447.17908	2.0
459.21588	1.5
461.19684	4.1
461.91916	1.1
462.20746	2.7
475.21246	6.5
476.22031	5.1
477.23273	4.0
485.23608	5.5
486.20642	2.1
489.22830	4.7
499.21130	3.3
503.24481	4.3
515.24768	7.3
517.22223	2.0
521.25629	3.4
531.23975	7.8
550.25970	3.8
559.23541	4.6
563.26917	1.6
591.25989	10.0
609.27087	100.0
609.44482	4.6
610.27124	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
67.37040	0.2
70.77258	0.5
72.07102	0.2
85.61605	0.2
166.88315	0.2
168.08040	0.2
173.01830	0.2
180.00911	0.2
194.90282	0.2
209.10571	0.2
387.16113	0.4
388.16696	0.5
389.17545	0.8
390.18686	0.3
391.19144	0.2
400.18121	0.3
401.17737	0.5
402.18271	0.9
403.19205	2.5
404.19983	0.9
405.20749	1.6
415.19287	0.5
416.20438	1.1
417.15955	0.4
417.21259	3.8
418.21851	1.6
419.17096	0.3
419.22351	2.9
429.16605	0.3
430.16989	0.9
431.18134	7.0
432.18814	1.6
433.24057	7.1
434.24762	1.0
443.18649	0.3
444.19247	0.5
445.19922	7.9
446.20728	3.9
447.21790	3.8
449.23508	0.4
458.21039	0.3
459.12543	0.2
459.21533	3.4
460.22552	8.5
461.23361	9.1
462.19934	0.3
473.23694	2.7
474.24286	0.9
476.22119	0.2
477.22958	0.5
485.19644	0.2
487.25058	1.4
488.24963	0.2
489.22955	0.6
491.24619	0.4
492.25092	0.6
503.22900	0.2
505.21487	2.3
506.26797	0.4
515.24261	0.4
517.22394	0.3
518.22949	0.4
519.24115	1.3
532.24597	0.8
533.25421	0.6
547.27063	27.3
548.27411	0.7
575.26422	1.1
578.25409	0.5
579.29749	0.6
592.26624	0.3
607.29150	100.0
608.29266	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.34187	0.2
59.33848	0.2
60.65511	0.3
67.05512	0.4
69.07037	0.4
70.08383	1.1
81.07056	0.8
93.07019	0.3
94.79379	0.2
96.12065	0.3
98.03458	0.3
102.86485	0.3
105.07027	0.4
109.10190	0.3
119.08538	0.4
121.10164	0.3
162.30009	0.3
164.99698	0.3
178.87711	0.3
199.18288	0.3
223.12367	0.6
224.13045	0.4
235.12218	0.3
237.13828	0.3
247.12576	0.3
251.15318	0.3
263.11673	0.3
374.15433	0.4
375.16690	0.5
376.17340	0.5
377.17615	0.9
378.18878	0.6
389.18793	0.8
390.18723	0.9
391.19247	2.1
392.20078	1.6
393.21191	0.5
398.71762	0.3
400.17172	0.6
401.17755	0.7
402.19144	0.4
403.19733	0.9
404.20578	1.0
405.16281	0.5
405.21143	2.8
406.21674	1.8
407.22284	3.8
413.17712	0.3
414.18607	0.7
415.19229	2.1
416.19995	0.6
417.21414	0.5
418.17401	0.6
418.22360	0.4
419.18546	1.3
419.22519	1.2
420.23291	0.8
421.23984	3.9
422.24716	0.7
427.19409	0.7
428.20032	0.6
429.20959	2.9
430.22360	1.3
431.18484	1.0
431.23227	0.6
432.19183	0.5
433.20093	1.6
433.24802	0.6
434.25369	0.5
435.22198	1.3
441.21201	0.4
442.21405	0.4
443.22314	1.0
444.23080	1.2
445.20181	1.3
447.18060	1.6
447.22702	0.7
448.18494	0.6
449.23279	0.9
451.21631	0.5
452.22034	0.7
456.19498	0.5
457.24734	2.2
458.24805	0.4
459.21960	2.7
460.23523	1.5
461.19040	5.0
462.20322	2.3
463.20880	1.4
470.21338	0.8
471.17728	0.6
472.23053	1.6
473.19345	0.6
474.20557	0.9
475.21069	8.2
476.21597	5.6
477.22476	4.5
478.23700	1.1
479.24234	0.5
485.23541	9.7
486.20203	3.3
487.20477	0.4
487.25320	0.9
488.22296	0.8
489.23022	4.8
491.24622	0.3
493.21973	0.5
493.26587	0.4
494.26895	1.2
497.23676	1.0
499.21185	2.5
500.22363	1.8
501.23495	0.4
502.24356	0.6
503.24557	6.0
504.24869	1.0
506.23190	0.4
507.24103	1.0
513.23163	1.1
515.24475	8.7
517.22485	1.2
518.23071	0.5
521.25909	2.9
531.23914	14.8
532.24408	0.5
533.25482	0.5
535.23364	1.2
541.22528	1.1
548.24371	0.7
549.24939	3.0
550.25806	4.4
559.23419	7.8
563.26215	0.5
577.23975	1.3
591.26044	26.2
609.27051	100.0
610.27429	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29126	0.3
60.09154	0.3
69.30980	2.2
89.75591	0.3
120.08086	0.4
142.25873	0.3
185.50850	0.4
272.11194	0.4
302.16129	0.3
387.16193	0.4
389.17325	1.6
390.18347	0.4
402.18607	0.7
403.19150	3.4
404.20071	0.9
405.20563	1.8
415.19116	0.7
416.20071	1.0
417.15903	0.6
417.21289	4.7
418.21744	3.0
419.22415	3.5
429.21109	0.6
430.17664	1.1
431.18176	8.2
432.19266	1.5
433.24075	11.1
434.24963	0.7
444.19360	0.7
445.19846	10.6
446.14825	0.3
446.20712	5.2
447.21701	4.1
447.38031	0.3
459.21460	5.9
460.22528	12.7
461.23364	16.2
466.67288	0.4
473.23621	4.0
474.24008	1.5
477.22986	0.8
487.24991	2.0
488.25839	0.7
489.22968	0.7
491.24326	0.7
492.25034	0.7
505.21832	2.3
506.27374	0.4
515.24561	0.8
518.23230	0.6
519.24323	1.6
519.27118	1.7
532.24646	1.2
533.25500	0.6
547.27051	51.2
548.27484	1.2
575.26599	1.5
579.29358	0.7
607.29150	100.0
608.29309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64399	0.3
69.07088	0.4
70.06595	1.4
71.51984	0.6
71.52402	0.4
72.08173	0.6
86.09703	0.8
89.03893	0.3
91.05472	0.8
93.07057	0.5
95.08625	0.9
100.24648	0.3
102.92862	0.3
103.05482	0.3
105.07045	0.6
107.08614	0.8
119.08591	0.6
133.10101	0.5
137.05995	0.8
145.02881	0.9
175.03830	0.4
177.05507	1.4
190.16779	0.4
293.04355	0.6
308.06815	3.5
351.08853	1.2
359.07632	1.0
373.13345	0.4
395.11115	3.1
409.12897	0.5
410.13406	9.0
451.16367	0.8
518.18152	1.7
607.21527	100.0
608.21790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.05512	0.2
69.79719	0.6
72.90782	0.2
79.05470	0.2
79.08392	0.2
81.07054	0.3
95.08585	0.2
98.21491	0.3
109.10191	0.2
123.20496	0.2
146.05942	0.2
176.17055	0.2
194.38487	0.2
219.09207	0.2
221.10780	0.3
223.12355	0.4
249.10345	0.3
251.11818	0.2
298.13696	0.2
309.11252	0.2
314.12912	0.2
324.14999	0.2
336.15112	0.2
373.14752	0.2
374.15372	0.3
375.15988	0.8
376.16977	0.4
377.17892	0.3
386.16724	0.3
387.15866	0.4
388.16949	0.6
389.17667	2.1
390.18521	1.2
391.19424	1.0
401.17746	0.4
402.14526	0.5
402.18744	0.8
403.15253	0.7
403.19583	3.2
404.20157	1.6
405.20825	2.8
406.21567	0.2
407.22354	0.3
415.19482	0.5
416.15775	1.1
417.16208	3.5
417.21191	1.7
418.17337	0.6
418.22498	1.3
419.22464	5.5
420.23022	0.9
429.21301	0.3
430.17154	0.4
430.22467	0.4
431.18365	6.6
432.19232	2.8
433.20193	3.4
435.21564	0.4
443.18573	0.3
444.19724	0.3
445.14560	0.3
445.20258	5.3
446.21014	7.2
447.21774	7.6
448.23090	0.2
449.19812	0.2
458.21341	0.2
459.17230	0.6
459.21973	1.3
460.18317	0.5
461.19446	1.8
462.24084	0.5
463.25320	0.5
470.20755	0.2
473.19479	0.7
473.23801	0.8
474.20453	4.5
475.21243	4.3
477.22891	0.6
478.23804	0.6
487.21423	1.5
490.24121	0.4
491.20044	2.4
501.23203	1.1
504.21762	0.3
505.22348	0.8
506.23334	0.5
518.23529	0.3
519.24139	15.8
529.22424	0.5
532.21057	0.2
547.23456	12.7
548.23907	0.3
551.26770	0.5
561.24762	0.6
578.25403	0.2
579.26056	5.8
589.23920	0.2
607.25549	100.0
608.25958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
53.64767	0.9
55.01867	4.7
55.05506	2.4
56.05033	1.2
57.03420	2.9
58.06583	2.5
60.04526	1.3
61.02909	1.7
65.03947	1.0
66.65780	0.8
67.05505	1.7
68.99780	1.6
69.03426	13.4
69.07057	3.4
69.27762	6.2
69.28165	1.3
69.66043	0.8
70.06597	10.6
71.05004	1.8
71.06958	1.0
72.08166	4.3
73.02912	2.7
74.06107	1.1
76.07629	1.0
79.05479	2.5
81.03419	12.6
81.07036	2.9
83.08622	2.1
84.04501	3.1
84.08138	6.1
85.02906	24.5
86.09699	10.4
87.00838	9.2
87.04480	1.5
89.24059	0.8
91.05502	4.4
93.07037	2.1
94.04186	1.9
95.08624	1.8
97.02307	1.5
97.02892	18.3
97.10149	1.7
99.04453	5.2
102.05550	1.3
103.05464	2.8
105.01872	6.2
105.07013	1.3
107.04967	1.8
107.08594	2.8
109.02881	13.2
109.06503	2.8
110.07139	2.7
111.04403	1.2
111.08125	0.9
112.07591	2.0
115.03976	4.9
115.05450	3.8
116.07084	0.9
117.01865	1.4
117.03394	1.2
117.06995	2.5
119.04965	2.4
119.08595	1.2
120.08092	7.2
121.06497	1.7
121.10155	1.1
121.44770	0.8
122.02834	1.2
122.03619	4.4
125.02363	1.5
127.03921	20.4
128.06183	1.2
129.01869	1.2
129.06992	4.8
129.10265	4.2
131.04945	2.7
131.08543	1.7
133.04974	0.9
135.04381	1.0
137.05981	100.0
141.07027	0.9
143.04945	5.5
145.02820	1.5
145.04987	7.9
145.06439	2.6
147.04379	1.4
149.06004	1.3
151.03900	2.4
151.07506	5.8
153.05424	1.2
157.06488	5.6
159.02927	4.5
159.07961	1.3
160.05180	9.3
161.04405	2.6
161.05960	3.9
163.03854	1.3
163.07509	4.9
163.14806	1.0
165.05446	1.5
167.07051	2.0
169.06467	0.9
172.05197	2.2
173.12898	1.3
174.06776	2.7
175.07545	60.0
177.05472	4.7
179.06989	1.0
181.04942	1.0
187.07549	29.5
189.09113	8.2
191.07042	1.3
199.07462	1.6
201.09081	2.3
203.08638	2.4
203.20386	0.9
205.08592	10.7
211.07480	1.7
217.08514	4.2
219.08226	1.9
219.10165	5.4
227.06969	1.7
231.04886	0.9
231.08035	1.5
232.08846	1.3
235.09666	6.9
238.21700	2.8
239.07028	1.8
239.70775	0.8
240.07764	1.4
247.04463	1.3
248.08282	2.8
255.06631	1.5
256.22720	31.2
261.09155	1.2
263.10602	2.9
270.08954	4.1
271.09686	6.4
277.08679	1.1
279.10150	2.3
283.09570	1.3
291.10147	9.0
293.08270	1.1
293.11374	1.0
295.09015	1.0
297.11172	1.1
298.23837	3.0
311.12714	3.9
323.12820	12.2
324.21661	4.0
325.14313	4.9
337.10828	1.0
341.13879	14.4
356.80655	0.9
357.13293	1.1
460.28961	8.0
504.28094	30.6
607.20959	3.1
607.33594	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	606.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29500	0.2
70.06594	0.2
71.23846	0.4
72.08174	0.3
77.03975	0.2
79.05505	0.4
85.02935	0.2
86.09720	0.2
86.81773	0.2
91.05479	0.8
93.07058	1.3
95.05007	0.3
98.44312	0.2
98.97585	0.3
99.89809	0.2
103.05479	6.4
107.04947	1.5
120.08114	100.0
121.08453	0.4
127.66021	0.2
129.10201	0.3
131.04936	2.8
137.05984	0.2
149.05984	2.1
166.08653	52.1
183.06537	0.8
200.30130	0.2
347.65454	0.2
397.07977	0.3
471.20261	0.3
618.28723	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.6
70.06576	1.8
71.50890	2.9
72.08143	6.6
81.03413	2.5
84.08146	1.8
84.82395	1.6
85.02917	2.9
86.09714	3.1
91.05489	5.3
96.55766	1.7
97.02884	2.4
101.00892	13.2
102.05549	1.8
109.02872	3.9
115.02432	3.5
118.08649	7.3
119.01933	16.6
119.04946	2.6
127.02425	3.0
131.01895	5.3
131.05026	1.6
137.05988	29.3
140.06808	2.8
143.01924	11.3
145.03494	11.9
154.62831	1.7
155.01880	11.1
156.03061	1.7
156.04214	10.4
157.03456	5.9
161.02966	21.8
167.01927	6.6
169.03500	10.0
173.02936	8.5
175.04460	3.4
176.81929	1.8
177.04048	3.3
181.03510	9.6
183.05040	2.8
185.03041	9.9
185.04384	2.2
187.04541	16.1
195.05035	29.9
197.02997	2.5
199.04521	3.6
203.03957	11.0
205.03694	1.9
211.04576	2.3
213.02588	3.0
213.06128	11.9
219.05042	7.4
221.04965	12.6
223.04526	6.3
227.04060	4.3
231.05031	7.4
235.04605	3.2
237.06075	22.1
239.07587	1.9
245.05032	10.8
246.03802	3.8
249.06192	8.7
251.07635	6.3
253.05527	12.2
255.05020	2.6
255.07213	16.7
261.05991	4.2
267.07211	3.2
269.08731	4.1
271.03040	2.8
273.05923	8.8
279.07098	11.0
281.04984	2.6
281.08731	2.2
285.05963	2.5
291.07117	18.2
293.08279	1.7
294.05951	13.6
297.08133	4.3
303.07114	9.3
309.08243	15.1
311.09094	4.1
321.08218	8.6
333.08282	2.2
339.05798	5.0
339.09250	100.0
345.08072	2.4
357.10315	50.2
363.09143	7.0
381.10278	23.2
399.11401	74.4
418.48532	1.9
422.13248	3.1
425.09381	72.1
441.12439	8.1
443.10556	27.3
443.16766	3.3
443.17990	2.5
499.97733	1.9
515.12311	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96053	0.5
53.03958	0.5
55.01873	0.7
56.05034	0.7
63.02388	0.6
68.05025	0.8
69.03435	6.9
69.88738	1.9
69.89159	1.1
70.06600	8.1
70.08253	0.5
72.08154	2.2
73.12936	0.5
75.04471	0.9
75.80703	0.5
79.05492	1.4
81.03440	1.0
84.04497	1.4
84.08161	3.1
85.02901	3.6
86.06077	30.7
86.09730	3.7
87.04485	3.3
89.03925	7.8
95.04955	0.8
97.02902	5.1
98.21472	0.7
98.97571	0.9
99.04478	0.6
100.11237	0.7
101.02364	0.6
101.06026	1.2
101.07220	0.7
107.04974	2.7
110.07158	0.7
111.04437	1.0
112.08731	0.5
113.02370	0.8
115.03991	0.6
116.07136	0.6
117.03394	8.0
119.04953	0.6
123.04430	0.7
125.02402	1.4
127.03958	1.5
129.05464	2.1
129.10223	1.8
133.06462	0.6
135.04428	19.2
136.07603	0.9
137.05977	1.7
145.01772	1.1
145.02856	15.5
146.03259	0.5
163.03925	100.0
167.07022	0.7
175.06046	8.6
177.05487	1.3
179.07231	0.6
185.09389	0.5
213.12282	0.9
260.11374	3.4
278.12378	70.8
394.76663	0.5
407.23169	0.7
422.14569	1.1
440.15488	10.9
487.30191	0.5
524.48358	0.5
602.35803	1.3
624.53833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96719	0.6
57.07079	3.6
58.06595	1.7
65.03951	0.8
69.07078	0.8
70.06599	17.3
71.08625	3.0
71.51958	0.6
71.52394	0.7
76.49508	0.6
84.08131	0.8
88.07640	20.1
89.93378	0.7
91.05488	1.2
102.09190	14.0
108.65955	0.6
117.03419	1.0
119.08578	0.8
121.06493	0.7
145.02853	2.1
149.02354	31.4
156.17490	0.8
175.03986	1.4
177.05458	4.4
193.04987	43.0
200.20113	45.0
210.18497	0.6
212.16562	1.2
219.06483	0.8
225.05498	1.0
237.07588	11.2
245.53552	0.7
269.04504	1.4
272.18646	2.4
297.04056	1.8
313.07138	2.0
341.06540	9.1
359.07672	5.3
384.05585	0.6
385.09186	17.7
385.14163	1.0
429.11862	24.1
584.28369	1.1
602.29626	100.0
603.29694	1.3
613.84454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01875	1.0
55.05510	5.2
57.06829	1.0
57.07075	6.6
59.05000	1.3
65.03943	1.7
67.05504	8.9
69.03432	5.7
69.07073	4.4
69.33055	2.5
69.33459	6.7
75.61452	0.9
79.05484	11.0
81.07055	16.0
83.04995	3.0
83.08613	2.4
85.06550	4.4
90.50230	1.2
91.05486	19.1
91.06026	1.5
93.07045	25.5
95.04970	5.2
95.08606	18.1
97.06532	3.9
103.05469	1.6
105.04536	1.1
105.07037	34.4
106.07334	2.2
107.04994	1.4
107.08601	18.0
109.06529	7.3
109.10142	6.5
111.08081	1.9
115.05435	2.3
117.07019	8.0
119.08588	37.0
120.08908	1.8
121.06504	4.9
121.10158	17.1
123.08066	11.5
123.11736	1.5
124.08419	1.2
125.06013	4.4
125.09665	1.1
128.06262	2.7
129.07022	5.3
130.07840	2.4
131.08578	13.2
133.06538	2.0
133.10143	17.5
134.10654	1.0
135.08055	9.7
135.11694	7.4
137.09621	8.8
139.11157	1.2
141.07019	2.5
142.07819	4.6
143.08566	13.8
144.09344	2.9
145.10129	23.0
146.10501	2.2
147.08055	17.8
147.11659	5.4
148.08368	1.3
149.09647	3.9
150.09993	1.2
151.07545	11.5
155.08585	4.9
156.09303	3.7
157.10133	20.6
158.10738	1.5
159.08145	1.2
159.11703	14.0
160.12170	1.7
161.09607	3.8
161.13237	5.7
163.11215	7.0
165.07051	1.6
165.09123	39.1
166.07843	0.9
166.09457	2.2
167.08591	2.1
168.09401	1.2
169.10068	7.2
170.10904	1.8
171.11682	8.7
172.12198	1.5
173.09683	3.3
173.13284	6.1
175.11217	4.2
175.14902	3.2
177.12759	1.6
179.08665	2.0
179.10597	2.0
180.09431	1.5
181.10147	4.1
181.12257	8.8
182.10933	3.4
182.12560	1.7
183.11732	8.7
185.09636	2.0
185.13255	7.2
187.11243	2.5
187.14900	3.1
188.11803	1.2
189.12741	3.7
190.13492	2.9
191.10663	1.3
191.14333	3.2
193.10164	2.7
193.12315	3.3
194.11032	1.4
194.12650	1.3
194.98273	1.0
195.11755	4.0
195.13713	1.3
196.12433	2.3
197.09743	1.3
197.13293	6.2
199.11169	2.7
199.14912	1.9
201.12816	1.7
201.16385	1.3
202.85005	0.9
203.14337	17.2
204.14682	1.3
207.11777	4.1
207.13866	7.0
208.12402	1.5
208.14487	1.7
209.13249	3.9
209.15198	2.1
210.13954	1.1
211.11261	1.1
211.14894	3.7
213.12781	2.2
213.16460	1.7
215.14275	1.5
217.58374	1.1
219.11844	1.7
221.13368	3.7
221.15367	100.0
222.15752	9.5
223.14832	2.7
225.16469	2.5
227.14389	1.9
229.15923	1.2
233.13304	1.7
233.15390	2.1
234.14027	1.5
234.16162	2.3
235.14886	2.6
235.16922	1.6
237.12790	1.6
237.16554	1.3
239.14262	1.5
239.17850	1.1
246.14093	1.2
247.14799	1.5
247.17018	5.4
248.17416	3.7
251.14357	1.4
263.18182	1.7
265.19565	1.6
271.16910	1.5
274.19366	2.9
275.19952	1.9
283.20499	1.3
286.19208	2.1
287.20032	6.3
297.22034	1.5
299.20126	4.2
300.20670	4.6
301.21692	4.9
311.20105	1.9
312.20807	1.4
313.21680	3.0
325.21545	2.2
326.21957	2.3
340.23929	2.4
341.24396	2.5
352.23819	4.7
353.24442	3.9
366.24994	1.1
367.26352	7.8
375.26828	1.6
378.25519	1.1
393.27914	2.9
426.27371	1.7
427.28180	1.7
428.28922	4.0
440.29318	5.0
441.29648	9.2
491.35168	7.9
509.35590	3.3
520.35388	1.2
521.36005	13.2
543.83521	1.1
583.41345	11.2
601.42517	40.4
628.07758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.1
51.25691	2.3
53.03944	8.9
55.05512	17.5
57.07075	8.8
59.05001	3.4
61.23895	2.8
65.03934	4.9
67.05503	32.7
69.03436	17.3
69.07073	21.5
69.42854	9.0
69.43288	10.5
71.04984	3.7
79.05495	33.2
80.05829	3.1
81.07056	40.0
82.07382	3.2
83.04990	20.4
83.08620	13.3
85.06539	8.3
87.04485	5.5
91.05487	61.1
92.05825	4.8
93.07046	71.8
94.07368	6.0
95.04973	19.1
95.08607	40.2
97.06544	13.7
98.34947	2.5
103.05453	5.6
105.07032	92.4
106.07303	4.6
107.08604	69.0
108.08925	4.7
109.06512	18.3
109.10159	33.1
110.10543	3.1
111.08057	7.9
111.11764	3.1
113.09659	6.5
115.05470	9.7
116.06233	3.4
117.07012	22.2
119.04990	3.4
119.08585	100.0
120.08890	6.1
121.06510	15.4
121.10149	78.5
122.10452	3.0
123.08084	17.8
123.11725	11.6
124.08450	3.2
125.05978	3.2
125.09637	18.5
128.06259	12.0
129.07045	20.7
130.07838	7.0
131.08580	46.8
132.08846	2.6
133.06522	6.0
133.10141	68.1
135.08075	16.8
135.11723	20.9
137.09619	10.6
139.11185	6.1
141.06984	9.8
142.07779	27.9
143.08575	47.7
144.09415	12.6
145.06493	3.9
145.10124	66.4
146.07272	2.7
146.10495	6.7
147.08066	12.8
147.11682	21.3
149.09602	23.6
149.13249	2.8
151.07542	5.8
151.11186	4.0
154.07640	3.9
155.08556	19.3
155.10660	9.5
156.09352	21.3
157.10143	56.6
158.10641	10.5
159.08078	17.3
159.11702	37.4
160.08748	3.9
160.12100	4.4
161.09645	16.9
161.13271	7.8
163.11157	8.2
165.07004	8.8
165.09100	12.8
165.12805	2.5
166.07568	4.7
167.08597	13.1
167.10667	57.3
168.09196	5.4
169.10124	32.9
170.10757	10.8
171.11707	36.7
172.12155	7.2
173.09618	10.9
173.13264	18.7
175.11185	7.6
175.14815	14.9
177.12788	4.0
178.07713	3.9
179.08569	15.7
180.09276	8.0
181.10133	18.5
181.12199	5.7
182.10905	13.1
183.11678	32.8
184.12263	8.5
185.09566	3.4
185.13217	21.7
187.11160	4.9
187.14803	12.5
189.12730	8.8
191.14333	7.0
192.09193	3.5
193.10188	13.2
194.10822	11.1
195.11649	21.9
196.12312	10.5
197.09532	2.7
197.13263	28.8
198.13608	5.7
199.11076	8.1
199.14787	13.5
201.12698	7.5
201.16438	6.9
203.14371	7.6
204.14708	3.0
205.10083	5.5
206.10893	5.4
207.11780	15.8
207.13658	4.1
208.12384	7.0
209.13243	26.9
209.15189	3.9
210.10411	2.9
210.13802	10.7
211.14803	19.9
213.12778	5.8
213.16341	7.0
215.14369	6.6
216.14711	4.0
217.15810	4.6
219.11751	5.2
219.17363	3.2
220.12364	4.8
221.13197	14.7
221.15405	26.0
222.13879	5.5
223.14835	18.3
224.15254	4.0
225.12788	5.5
225.16411	10.6
226.13150	3.0
227.14325	7.9
233.13210	8.2
233.15375	29.2
234.13742	3.4
234.15918	3.1
235.14731	10.6
235.16823	4.0
236.15300	4.6
237.16388	8.7
238.17067	4.1
239.17952	4.2
241.15837	5.1
241.19339	3.1
243.17581	3.1
245.13232	4.3
246.13780	4.2
247.14873	4.6
248.15268	3.6
249.16406	7.7
251.17990	7.0
253.19525	3.9
255.17473	9.4
256.17831	7.6
256.46667	2.9
257.19009	3.4
259.14801	3.5
260.15341	3.1
261.16412	4.4
263.17950	5.7
265.19437	6.2
269.18988	14.3
271.20358	2.8
273.16138	3.3
273.18692	4.4
275.17850	6.7
277.19553	3.6
281.18906	6.0
282.19540	3.6
283.20462	6.3
287.19989	5.6
295.20404	3.6
297.22092	2.9
299.20084	4.7
311.20105	3.3
347.23685	5.4
353.15363	2.6
565.40491	6.6
583.41309	10.2
587.89972	2.9
601.43018	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.1
51.25691	2.3
53.03944	8.9
55.05512	17.5
57.07075	8.8
59.05001	3.4
61.23895	2.8
65.03934	4.9
67.05503	32.7
69.03436	17.3
69.07073	21.5
69.42854	9.0
69.43288	10.5
71.04984	3.7
79.05495	33.2
80.05829	3.1
81.07056	40.0
82.07382	3.2
83.04990	20.4
83.08620	13.3
85.06539	8.3
87.04485	5.5
91.05487	61.1
92.05825	4.8
93.07046	71.8
94.07368	6.0
95.04973	19.1
95.08607	40.2
97.06544	13.7
98.34947	2.5
103.05453	5.6
105.07032	92.4
106.07303	4.6
107.08604	69.0
108.08925	4.7
109.06512	18.3
109.10159	33.1
110.10543	3.1
111.08057	7.9
111.11764	3.1
113.09659	6.5
115.05470	9.7
116.06233	3.4
117.07012	22.2
119.04990	3.4
119.08585	100.0
120.08890	6.1
121.06510	15.4
121.10149	78.5
122.10452	3.0
123.08084	17.8
123.11725	11.6
124.08450	3.2
125.05978	3.2
125.09637	18.5
128.06259	12.0
129.07045	20.7
130.07838	7.0
131.08580	46.8
132.08846	2.6
133.06522	6.0
133.10141	68.1
135.08075	16.8
135.11723	20.9
137.09619	10.6
139.11185	6.1
141.06984	9.8
142.07779	27.9
143.08575	47.7
144.09415	12.6
145.06493	3.9
145.10124	66.4
146.07272	2.7
146.10495	6.7
147.08066	12.8
147.11682	21.3
149.09602	23.6
149.13249	2.8
151.07542	5.8
151.11186	4.0
154.07640	3.9
155.08556	19.3
155.10660	9.5
156.09352	21.3
157.10143	56.6
158.10641	10.5
159.08078	17.3
159.11702	37.4
160.08748	3.9
160.12100	4.4
161.09645	16.9
161.13271	7.8
163.11157	8.2
165.07004	8.8
165.09100	12.8
165.12805	2.5
166.07568	4.7
167.08597	13.1
167.10667	57.3
168.09196	5.4
169.10124	32.9
170.10757	10.8
171.11707	36.7
172.12155	7.2
173.09618	10.9
173.13264	18.7
175.11185	7.6
175.14815	14.9
177.12788	4.0
178.07713	3.9
179.08569	15.7
180.09276	8.0
181.10133	18.5
181.12199	5.7
182.10905	13.1
183.11678	32.8
184.12263	8.5
185.09566	3.4
185.13217	21.7
187.11160	4.9
187.14803	12.5
189.12730	8.8
191.14333	7.0
192.09193	3.5
193.10188	13.2
194.10822	11.1
195.11649	21.9
196.12312	10.5
197.09532	2.7
197.13263	28.8
198.13608	5.7
199.11076	8.1
199.14787	13.5
201.12698	7.5
201.16438	6.9
203.14371	7.6
204.14708	3.0
205.10083	5.5
206.10893	5.4
207.11780	15.8
207.13658	4.1
208.12384	7.0
209.13243	26.9
209.15189	3.9
210.10411	2.9
210.13802	10.7
211.14803	19.9
213.12778	5.8
213.16341	7.0
215.14369	6.6
216.14711	4.0
217.15810	4.6
219.11751	5.2
219.17363	3.2
220.12364	4.8
221.13197	14.7
221.15405	26.0
222.13879	5.5
223.14835	18.3
224.15254	4.0
225.12788	5.5
225.16411	10.6
226.13150	3.0
227.14325	7.9
233.13210	8.2
233.15375	29.2
234.13742	3.4
234.15918	3.1
235.14731	10.6
235.16823	4.0
236.15300	4.6
237.16388	8.7
238.17067	4.1
239.17952	4.2
241.15837	5.1
241.19339	3.1
243.17581	3.1
245.13232	4.3
246.13780	4.2
247.14873	4.6
248.15268	3.6
249.16406	7.7
251.17990	7.0
253.19525	3.9
255.17473	9.4
256.17831	7.6
256.46667	2.9
257.19009	3.4
259.14801	3.5
260.15341	3.1
261.16412	4.4
263.17950	5.7
265.19437	6.2
269.18988	14.3
271.20358	2.8
273.16138	3.3
273.18692	4.4
275.17850	6.7
277.19553	3.6
281.18906	6.0
282.19540	3.6
283.20462	6.3
287.19989	5.6
295.20404	3.6
297.22092	2.9
299.20084	4.7
311.20105	3.3
347.23685	5.4
353.15363	2.6
565.40491	6.6
583.41309	10.2
587.89972	2.9
601.43018	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01855	0.9
55.05510	3.1
57.03436	1.4
57.07072	2.0
62.98021	0.8
67.05193	0.9
67.05514	11.4
69.03421	2.7
69.07080	3.8
70.06577	1.2
71.04992	0.6
71.51856	0.8
71.52248	0.7
72.08169	0.8
79.05499	4.1
81.03426	0.8
81.07070	13.1
83.04945	0.8
83.08632	1.1
85.02917	3.3
86.09718	1.6
91.05492	4.3
93.07056	9.9
95.04961	1.1
95.08620	28.3
97.02886	1.9
97.06522	2.2
97.10179	2.0
105.07050	5.3
107.08598	11.4
109.06511	1.6
109.10167	12.1
111.08093	1.7
115.05452	0.8
117.03359	0.8
117.06998	1.2
119.08595	6.4
121.06508	1.7
121.10144	5.0
121.50084	0.6
123.11722	2.4
127.03957	0.8
129.06987	1.4
131.08591	4.3
133.10156	4.9
135.08070	1.3
135.11711	21.7
137.06053	0.7
137.09636	6.5
137.13266	9.0
139.11215	1.8
141.07085	0.6
142.07787	1.4
143.08582	3.1
145.10146	5.0
147.08038	1.3
147.11732	3.9
149.09540	0.7
149.13268	1.3
153.12761	20.1
155.08574	1.5
157.10185	4.4
159.11688	5.2
161.09648	2.3
161.13304	2.1
163.11250	0.9
167.07161	0.8
169.10100	2.1
171.11690	3.8
173.09665	2.9
173.13255	2.2
175.11208	4.7
175.14822	1.6
177.05447	2.7
181.10016	1.7
183.11707	2.7
185.09633	1.5
185.13301	2.5
186.41261	0.7
187.11224	1.3
187.14810	1.0
189.12796	1.3
193.10089	0.8
193.12212	1.1
194.10948	0.7
195.11775	1.2
197.09790	0.8
197.13307	2.2
199.11150	2.6
199.14854	1.8
201.12637	0.8
201.16475	0.6
203.17976	0.8
207.11673	1.1
207.13780	0.9
209.13252	2.9
211.11159	0.7
211.14839	1.4
213.12781	1.3
213.16318	0.9
221.13284	1.1
223.14891	1.4
225.12794	1.5
225.16429	1.3
227.17938	0.9
235.11186	0.7
239.14241	0.9
239.17989	3.1
241.15839	1.1
241.19734	0.7
245.13043	0.7
249.16336	1.0
255.17416	1.3
265.15857	0.7
267.17462	13.2
271.16916	0.7
273.18494	1.9
279.17282	1.2
281.19067	1.0
281.22504	1.3
283.17075	1.3
283.20618	1.9
285.18515	42.8
286.19324	1.8
297.18597	1.6
299.20139	3.3
301.21613	2.2
305.18945	0.9
307.20694	1.0
309.18524	1.2
309.21945	0.8
311.20181	2.1
312.20908	1.3
313.21790	1.4
323.20178	2.2
325.21692	6.0
333.22327	0.9
337.21494	1.5
344.30502	0.8
351.23212	4.3
365.24677	1.2
379.26349	0.9
403.30011	2.9
421.31058	53.2
439.32126	100.0
440.32565	1.1
445.05594	0.7
601.13190	1.2
601.27722	0.9
601.36993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65748	1.1
53.03955	1.4
55.05505	3.6
57.07063	2.2
67.05511	9.9
69.07069	5.8
69.69538	3.6
69.69926	2.2
70.06587	2.1
72.08163	1.9
72.38934	1.1
79.05492	4.5
81.07052	13.1
83.04957	1.4
83.08588	1.8
84.08146	1.4
85.02905	4.8
86.09716	1.9
91.05470	5.4
93.07047	12.7
95.04951	1.3
95.08615	27.8
97.06525	2.3
97.10176	1.9
105.07022	6.0
107.08591	11.6
109.06530	1.5
109.10154	12.1
111.08069	1.8
117.07011	2.0
119.08604	7.3
121.06543	2.8
121.10137	5.5
123.11691	2.1
131.08607	3.1
133.10143	7.0
135.08043	1.3
135.11696	21.3
137.09663	6.1
137.13266	10.0
139.11179	1.3
143.08577	2.4
145.02811	1.4
145.10141	5.4
147.08002	1.7
147.11693	3.1
149.13409	1.2
153.12759	18.5
157.10144	4.3
159.11697	4.0
161.09595	3.1
161.13268	2.6
167.07036	1.6
168.07372	1.3
169.10156	2.4
170.10873	1.3
171.11739	3.3
173.09605	2.3
173.13274	3.2
175.11234	3.9
177.05458	3.3
180.89430	1.3
183.11705	3.6
185.13284	2.4
187.14775	1.5
189.12825	1.4
193.10205	1.9
193.12218	1.4
197.13313	1.3
199.11133	2.7
201.12767	1.5
207.11720	1.7
209.13274	2.4
211.14897	1.5
213.12778	1.9
215.14328	1.8
218.87514	1.2
223.15134	1.4
225.12718	1.6
235.14659	1.5
239.17957	2.8
267.17484	11.5
273.18744	1.4
281.19205	1.5
283.20569	3.1
285.18506	45.4
286.19284	1.3
290.92535	1.2
295.20276	1.2
297.18610	2.0
299.20090	3.7
301.21686	2.6
309.18451	1.4
311.20096	2.6
313.21747	1.5
323.20065	1.8
325.21689	6.4
351.23062	4.1
403.29947	1.9
406.28650	1.3
421.31006	51.4
439.32092	100.0
601.13165	2.4
601.27899	1.3
601.37427	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05522	16.2
57.07064	9.4
59.04986	5.4
63.63910	2.5
67.05514	24.3
69.03423	13.4
69.07074	17.8
69.59669	17.7
79.05493	23.8
81.07068	32.1
83.04986	13.9
83.08630	13.2
85.02849	2.6
85.06535	5.3
89.06016	6.4
91.05487	42.8
93.07056	61.9
95.04985	13.1
95.08613	36.3
97.06516	9.7
97.10162	4.4
103.05469	3.2
104.06227	2.6
105.06323	4.0
105.07035	68.4
107.04941	3.2
107.08601	57.7
109.06496	15.7
109.10193	15.9
111.08089	4.7
113.09609	3.7
115.05437	6.3
117.07036	20.5
119.08588	71.1
120.09373	5.0
121.06511	12.6
121.10162	44.1
123.08076	25.0
123.11726	5.7
125.05988	7.3
125.09637	5.6
128.06226	12.1
129.07027	23.8
130.07849	5.7
131.08580	33.1
132.09265	5.6
133.06490	9.5
133.08589	4.2
133.10129	36.6
135.08044	20.7
135.11711	14.0
137.09637	13.6
139.07498	3.6
141.06982	9.5
142.07788	26.7
143.08578	44.3
144.09360	12.3
145.10139	50.6
147.08049	32.8
147.11694	12.9
149.09645	15.3
149.13284	3.8
151.07536	20.3
151.11244	3.2
155.08540	16.4
156.09338	24.2
157.10146	67.2
158.10864	10.6
159.08087	14.9
159.11699	36.1
161.09625	20.7
161.13266	7.1
163.11166	13.2
165.07034	5.2
165.09138	45.0
166.07802	3.7
167.08627	7.9
167.10663	13.0
168.09375	6.8
169.10144	25.6
170.10887	9.4
171.08156	3.2
171.11671	34.8
172.12486	7.8
173.09616	10.7
173.13281	11.2
175.11229	25.5
175.14870	5.5
177.09070	3.9
177.12735	4.4
179.08539	8.5
179.10699	4.9
180.11395	3.5
181.10152	13.9
181.12247	10.7
181.53760	3.2
182.10936	8.0
183.11716	18.8
184.12469	4.3
185.09619	5.6
185.13326	20.1
186.14067	5.8
187.11212	11.1
187.14754	4.8
188.11922	4.2
189.12749	13.6
190.13499	10.6
191.10654	3.7
191.14334	5.5
192.09351	5.2
193.10150	10.6
193.12199	11.1
194.10776	6.9
195.11720	24.3
195.13545	4.4
196.12457	3.4
197.09641	6.3
197.13203	15.8
199.11163	12.6
199.14842	7.6
201.12788	7.4
203.14334	32.2
205.12331	3.5
206.10913	7.8
207.11703	10.0
207.13805	14.5
208.12755	4.5
208.14592	11.2
209.13307	19.1
209.15205	5.8
210.14061	3.8
211.11186	4.0
211.14845	11.1
213.12778	9.8
213.16457	4.4
214.13483	3.4
215.10687	4.6
215.14423	3.9
216.15160	2.8
218.16663	4.4
219.11707	7.9
219.13841	8.8
220.12418	5.7
221.13255	13.3
221.15335	83.5
223.11264	3.9
223.14944	12.7
225.12712	10.2
225.16345	9.9
227.14317	5.9
231.11630	6.4
232.12485	3.5
233.13258	6.3
233.15411	20.2
234.16133	14.0
235.14806	9.3
237.12704	8.5
237.14629	36.0
237.24319	3.3
241.15962	3.5
247.16992	10.3
248.13982	17.6
249.16388	8.7
250.15709	4.2
253.15854	7.3
255.17447	23.3
259.14731	3.8
259.17078	4.1
261.16342	7.5
261.77194	3.0
263.17963	4.2
265.25220	7.9
268.18344	4.0
270.19794	9.0
271.16910	9.4
273.18732	2.9
274.19287	12.7
279.17386	5.1
281.15652	2.9
281.19046	7.4
285.18704	3.3
286.19269	16.8
287.20044	9.4
289.19595	3.2
293.18823	3.5
294.19766	10.0
295.20584	5.5
297.18533	6.6
299.20184	14.2
303.19592	65.0
312.20740	9.1
313.21786	14.4
325.21732	16.2
337.21725	8.6
339.29001	5.5
352.23981	100.0
357.29541	3.3
359.23761	4.5
365.24857	21.0
377.24664	6.5
383.25626	7.2
392.27884	3.2
415.25784	3.9
420.30261	4.9
502.34601	12.7
503.34857	7.5
505.32745	5.1
507.34732	18.1
508.34842	5.6
520.35504	61.1
567.38251	3.1
576.16162	2.8
582.40607	4.9
585.38812	3.1
600.41876	23.8
600.72906	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.5
53.03931	5.0
54.27276	2.0
55.05508	20.8
57.07081	14.3
59.04987	7.2
60.87119	2.2
65.03909	4.4
67.05507	28.0
69.03432	16.3
69.07069	14.4
69.19135	18.0
69.19538	5.2
70.06578	8.7
71.04993	4.1
71.08631	3.8
79.05499	30.9
81.03413	3.0
81.07065	45.9
83.04983	15.5
83.08617	10.9
85.06539	9.6
89.06035	11.5
91.05482	49.9
93.06480	4.7
93.07049	67.2
95.04963	19.6
95.08605	32.5
96.05798	2.7
97.02892	2.5
97.06539	8.9
97.10155	3.8
99.08063	3.0
103.05457	5.9
105.04513	2.8
105.07038	97.7
107.04934	5.1
107.08607	56.7
109.06516	22.5
109.10152	21.6
111.08090	3.9
115.05400	5.3
116.06342	3.5
116.07084	15.1
117.07002	20.4
119.04952	3.9
119.08585	81.8
120.09375	6.3
121.06522	14.4
121.10158	43.9
123.08064	32.3
123.11691	4.1
125.05975	7.1
125.09597	5.5
128.06223	11.6
129.07002	25.5
130.07756	9.1
131.08569	43.5
132.09302	5.7
133.06491	7.0
133.08559	6.9
133.10133	42.3
134.10909	3.2
135.08093	19.8
135.11705	15.8
137.09610	17.4
139.07584	2.7
139.11176	3.8
141.06979	9.1
142.07794	27.7
143.08568	52.2
144.09377	14.8
145.06461	3.8
145.10129	69.2
147.08049	38.4
147.11711	15.9
148.08748	2.5
149.09618	20.4
149.13266	4.2
151.07550	15.9
151.11295	3.3
152.06169	3.4
153.09131	2.9
154.07733	4.5
155.08556	19.9
156.09370	20.4
157.10138	75.2
158.10887	10.1
159.08047	15.7
159.11693	29.9
160.08801	4.3
161.09636	23.4
161.13245	7.0
163.07574	3.7
163.11192	20.9
165.07016	6.1
165.09105	48.0
167.08553	11.8
167.10675	16.5
168.09308	7.7
169.10155	26.1
170.10886	17.1
171.11691	33.3
172.12476	8.8
173.09621	10.4
173.13240	14.5
174.10338	3.1
175.11188	29.2
175.14801	6.3
177.09093	6.0
177.12701	4.6
179.08598	9.8
179.10648	5.2
180.09354	5.0
180.11418	5.5
181.10098	16.5
181.12218	11.0
182.10904	10.3
183.11705	28.8
184.12494	5.1
185.09692	4.4
185.13293	26.5
186.13940	4.5
187.11165	8.8
187.14864	7.2
189.12755	14.4
190.13535	11.0
191.10582	4.9
191.14233	4.2
192.09291	2.8
193.10123	15.6
193.12253	12.6
194.10851	7.8
195.11656	23.2
196.12456	9.9
197.09718	3.7
197.11632	4.1
197.13287	17.3
198.10364	4.4
198.13956	4.9
199.11183	10.1
199.14835	8.7
201.12749	9.8
203.14325	28.8
205.10136	3.0
205.12224	3.6
206.10887	5.6
207.11690	16.8
207.13828	18.7
208.12411	9.9
208.14555	12.5
209.13254	23.7
209.15250	5.5
211.11185	9.0
211.14793	14.8
212.12036	4.0
213.12738	11.2
213.16441	3.1
215.10652	4.3
215.14394	7.4
218.10907	2.7
219.11758	5.7
219.13812	8.4
220.12477	5.7
221.13286	11.9
221.15350	95.2
222.13911	3.7
223.11153	5.0
223.14833	12.3
225.12752	6.9
225.16425	7.0
226.13422	2.9
227.14304	4.2
232.12680	4.2
233.13214	6.5
233.15407	22.8
234.16045	12.5
235.14871	10.5
237.12669	6.7
237.14671	35.9
239.14276	3.6
241.15782	4.9
243.13840	3.6
247.14828	6.5
247.16975	9.7
247.24237	3.4
248.13954	11.9
249.16382	9.0
251.14124	3.5
253.15970	6.7
255.17419	30.1
259.14700	4.3
259.17065	3.3
261.16284	6.5
263.14035	3.7
263.18198	5.6
265.15814	3.2
265.25394	8.8
267.17441	3.3
270.19754	5.6
271.17029	7.5
274.19315	17.6
275.17822	2.9
277.19714	2.9
279.17471	7.7
281.18958	7.6
285.18646	5.5
286.19342	18.3
287.20071	10.7
289.19604	2.6
294.19958	6.4
295.20471	5.6
297.18478	4.9
298.19495	3.0
299.20129	12.6
303.19556	55.8
309.18384	2.8
309.22009	2.9
311.20007	4.6
312.20956	4.9
313.21790	16.9
321.22293	2.7
322.22794	3.0
325.21698	19.5
337.21750	13.1
339.28882	10.0
351.23059	3.4
352.23978	100.0
357.29803	4.8
365.24753	21.7
377.24826	4.3
383.25732	6.9
415.25497	3.2
420.30194	4.0
454.30829	3.4
487.32004	3.6
502.34213	10.0
503.34927	7.4
505.32806	7.5
507.34662	13.5
520.35486	62.3
577.15973	2.7
582.39996	3.0
583.41290	4.1
585.39264	6.0
600.41327	29.1
626.30389	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.8
55.05522	16.2
57.07064	9.4
59.04986	5.4
63.63910	2.5
67.05514	24.3
69.03423	13.4
69.07074	17.8
69.59669	17.7
79.05493	23.8
81.07068	32.1
83.04986	13.9
83.08630	13.2
85.02849	2.6
85.06535	5.3
89.06016	6.4
91.05487	42.8
93.07056	61.9
95.04985	13.1
95.08613	36.3
97.06516	9.7
97.10162	4.4
103.05469	3.2
104.06227	2.6
105.06323	4.0
105.07035	68.4
107.04941	3.2
107.08601	57.7
109.06496	15.7
109.10193	15.9
111.08089	4.7
113.09609	3.7
115.05437	6.3
117.07036	20.5
119.08588	71.1
120.09373	5.0
121.06511	12.6
121.10162	44.1
123.08076	25.0
123.11726	5.7
125.05988	7.3
125.09637	5.6
128.06226	12.1
129.07027	23.8
130.07849	5.7
131.08580	33.1
132.09265	5.6
133.06490	9.5
133.08589	4.2
133.10129	36.6
135.08044	20.7
135.11711	14.0
137.09637	13.6
139.07498	3.6
141.06982	9.5
142.07788	26.7
143.08578	44.3
144.09360	12.3
145.10139	50.6
147.08049	32.8
147.11694	12.9
149.09645	15.3
149.13284	3.8
151.07536	20.3
151.11244	3.2
155.08540	16.4
156.09338	24.2
157.10146	67.2
158.10864	10.6
159.08087	14.9
159.11699	36.1
161.09625	20.7
161.13266	7.1
163.11166	13.2
165.07034	5.2
165.09138	45.0
166.07802	3.7
167.08627	7.9
167.10663	13.0
168.09375	6.8
169.10144	25.6
170.10887	9.4
171.08156	3.2
171.11671	34.8
172.12486	7.8
173.09616	10.7
173.13281	11.2
175.11229	25.5
175.14870	5.5
177.09070	3.9
177.12735	4.4
179.08539	8.5
179.10699	4.9
180.11395	3.5
181.10152	13.9
181.12247	10.7
181.53760	3.2
182.10936	8.0
183.11716	18.8
184.12469	4.3
185.09619	5.6
185.13326	20.1
186.14067	5.8
187.11212	11.1
187.14754	4.8
188.11922	4.2
189.12749	13.6
190.13499	10.6
191.10654	3.7
191.14334	5.5
192.09351	5.2
193.10150	10.6
193.12199	11.1
194.10776	6.9
195.11720	24.3
195.13545	4.4
196.12457	3.4
197.09641	6.3
197.13203	15.8
199.11163	12.6
199.14842	7.6
201.12788	7.4
203.14334	32.2
205.12331	3.5
206.10913	7.8
207.11703	10.0
207.13805	14.5
208.12755	4.5
208.14592	11.2
209.13307	19.1
209.15205	5.8
210.14061	3.8
211.11186	4.0
211.14845	11.1
213.12778	9.8
213.16457	4.4
214.13483	3.4
215.10687	4.6
215.14423	3.9
216.15160	2.8
218.16663	4.4
219.11707	7.9
219.13841	8.8
220.12418	5.7
221.13255	13.3
221.15335	83.5
223.11264	3.9
223.14944	12.7
225.12712	10.2
225.16345	9.9
227.14317	5.9
231.11630	6.4
232.12485	3.5
233.13258	6.3
233.15411	20.2
234.16133	14.0
235.14806	9.3
237.12704	8.5
237.14629	36.0
237.24319	3.3
241.15962	3.5
247.16992	10.3
248.13982	17.6
249.16388	8.7
250.15709	4.2
253.15854	7.3
255.17447	23.3
259.14731	3.8
259.17078	4.1
261.16342	7.5
261.77194	3.0
263.17963	4.2
265.25220	7.9
268.18344	4.0
270.19794	9.0
271.16910	9.4
273.18732	2.9
274.19287	12.7
279.17386	5.1
281.15652	2.9
281.19046	7.4
285.18704	3.3
286.19269	16.8
287.20044	9.4
289.19595	3.2
293.18823	3.5
294.19766	10.0
295.20584	5.5
297.18533	6.6
299.20184	14.2
303.19592	65.0
312.20740	9.1
313.21786	14.4
325.21732	16.2
337.21725	8.6
339.29001	5.5
352.23981	100.0
357.29541	3.3
359.23761	4.5
365.24857	21.0
377.24664	6.5
383.25626	7.2
392.27884	3.2
415.25784	3.9
420.30261	4.9
502.34601	12.7
503.34857	7.5
505.32745	5.1
507.34732	18.1
508.34842	5.6
520.35504	61.1
567.38251	3.1
576.16162	2.8
582.40607	4.9
585.38812	3.1
600.41876	23.8
600.72906	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01852	2.8
55.05506	4.8
55.32906	1.8
57.07071	11.5
59.05012	2.8
59.87323	2.2
65.20785	2.1
67.05500	10.0
68.38213	1.9
69.03438	9.8
69.07056	6.4
69.39421	17.3
79.05480	12.5
81.03403	2.0
81.07055	20.8
83.04970	6.2
83.08592	3.1
85.06528	5.6
89.06020	6.6
91.05479	26.1
93.07043	26.9
95.04948	9.2
95.08617	19.0
97.06516	6.5
105.07028	47.9
107.08600	21.8
109.06540	12.3
109.10184	12.4
111.04449	2.2
115.05429	4.1
117.07024	12.0
119.08591	51.9
120.09344	2.6
121.06501	6.9
121.10158	21.0
123.08079	17.0
125.05986	14.1
128.06181	5.3
129.06995	9.5
130.07774	4.2
131.08562	19.9
132.09360	2.4
133.06514	4.5
133.08580	5.5
133.10120	18.0
135.08032	17.1
135.11636	6.2
137.09628	13.4
141.07007	4.4
142.07759	6.8
143.08557	18.5
144.09363	6.4
145.10127	34.4
147.08032	21.4
147.11681	5.8
148.08810	2.8
149.09644	13.0
149.13159	2.5
151.07564	9.7
155.08521	9.0
156.09334	6.9
157.10146	30.3
158.10870	5.9
159.08012	5.8
159.11667	22.3
160.12407	2.9
161.09593	9.2
161.13219	6.7
163.11180	18.1
165.09114	38.1
167.08582	4.2
168.09357	3.9
169.10104	14.9
170.10918	5.6
171.08162	2.3
171.11688	20.7
172.08783	2.8
172.12433	4.8
173.09608	7.4
173.13293	8.5
175.11165	20.0
175.14810	2.3
177.09102	4.1
178.09874	3.1
179.08595	3.0
179.10620	2.7
180.11432	2.9
181.10138	5.9
181.12224	17.9
182.10895	2.5
183.11682	15.2
185.13234	11.0
187.11182	5.5
187.14854	4.8
189.12746	8.6
190.13513	8.0
191.10641	5.6
193.10257	3.0
193.12242	11.1
195.11674	9.3
196.12430	3.6
197.09517	3.3
197.13240	10.8
199.11189	4.3
199.14816	3.5
201.12714	6.6
201.16356	2.9
202.13373	2.2
203.14256	16.0
206.10901	3.1
207.11703	6.7
207.13795	11.5
208.12646	3.0
208.14581	9.2
209.13232	8.9
211.11098	2.9
211.14806	6.6
213.12701	2.4
213.16431	2.7
215.14279	3.4
216.15109	2.5
219.11810	2.7
219.13818	7.4
221.13451	5.5
221.15370	100.0
223.11348	3.4
223.14902	5.4
225.12668	3.1
225.16306	4.5
227.14267	4.1
227.17949	2.7
229.12483	3.6
229.15813	3.3
231.13733	2.4
233.15387	3.3
234.16104	22.4
235.14851	3.5
237.12756	4.9
239.14209	2.4
239.17953	3.6
245.15610	2.1
247.14598	2.4
247.16945	31.9
248.17593	4.7
251.14308	4.1
253.15808	3.8
253.19591	2.7
259.16986	5.1
261.16168	3.3
261.18655	2.8
267.17517	2.4
271.16949	3.5
274.19293	14.4
281.18887	2.9
286.19171	7.5
287.20218	10.3
297.18469	3.9
298.19492	2.4
299.20114	21.3
300.20581	3.5
307.20392	3.5
310.19211	3.5
311.20013	3.5
312.20819	14.8
313.21555	11.3
325.21661	15.4
327.23117	2.8
337.21490	6.0
339.23157	7.5
340.23950	17.8
352.23987	42.6
365.24625	5.8
379.26263	4.1
387.25366	4.5
391.26230	3.4
413.26956	6.0
415.25467	3.0
419.29446	9.4
420.30045	4.4
425.27008	8.0
426.27579	6.1
427.28552	17.9
440.29199	54.6
442.30820	3.1
454.30859	3.0
507.34558	2.7
508.35126	5.4
520.35486	52.4
585.39221	3.8
600.25317	5.5
600.41620	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05510	5.5
56.28854	1.4
57.07075	10.7
59.05009	3.7
67.05513	11.3
69.03433	7.4
69.07063	5.4
70.06564	1.5
71.05924	1.4
71.06295	3.4
79.05503	12.2
81.03406	2.2
81.07058	18.2
83.04984	6.2
83.08594	2.3
85.06551	3.6
89.03730	1.4
89.06025	6.5
91.05485	23.8
92.06311	2.0
93.07056	29.6
95.04984	7.1
95.08607	16.1
97.06535	4.8
103.05444	2.2
105.07037	39.2
107.08606	16.5
109.06500	9.2
109.10168	8.5
115.05383	1.6
117.07050	10.5
119.04939	1.8
119.08592	48.7
120.09425	2.5
121.06534	8.8
121.10159	20.6
123.08080	11.9
123.11745	2.0
125.05979	8.2
128.06253	4.0
129.07048	9.8
130.07790	3.5
131.08571	18.3
133.06476	3.9
133.08586	3.9
133.10132	16.5
134.10878	2.0
135.08066	16.7
135.11687	5.8
137.06000	2.4
137.09639	9.8
139.07565	3.8
141.07069	1.5
142.07753	8.3
143.08563	21.9
144.09351	4.3
145.06567	3.6
145.10127	33.6
147.08054	23.0
147.11688	4.5
149.09625	13.0
151.07521	10.3
155.08572	7.8
156.09352	6.8
157.10152	30.2
158.10864	4.4
159.08070	5.4
159.11705	21.6
160.08865	3.1
161.09607	9.9
161.13266	6.1
163.11197	18.1
165.09126	46.7
167.08618	3.6
168.09372	3.1
169.10175	12.5
170.10881	4.3
171.08052	2.0
171.11716	12.6
172.12411	2.0
173.09676	7.3
173.13245	7.5
175.11200	15.9
176.11984	2.0
177.09106	4.0
177.11327	2.4
177.12769	2.7
178.09932	2.9
179.08568	2.0
180.09354	1.8
180.11440	3.1
181.10120	7.3
181.12241	14.3
182.10889	3.3
183.08258	1.7
183.11731	11.8
184.12430	4.2
185.09650	2.9
185.13301	7.7
186.70715	1.4
187.11177	5.0
187.14774	2.4
189.12743	8.1
190.13489	8.4
191.10695	4.9
193.10300	3.3
193.12285	12.7
194.10918	2.3
195.11742	9.4
195.13718	2.4
196.12444	2.7
197.09691	2.5
197.13304	8.5
198.10243	1.5
199.11209	4.9
199.14827	2.9
201.12761	7.7
203.14320	16.5
206.10930	2.5
207.11711	4.5
207.13838	12.3
208.12743	2.4
208.14522	9.3
209.13257	6.5
209.15166	2.2
210.14037	3.4
211.11209	4.1
211.14845	7.9
212.15511	2.4
213.12755	5.6
213.16464	2.0
214.13487	1.7
215.10704	1.6
215.14362	3.3
216.15044	1.9
219.11838	1.7
219.13802	7.1
220.14565	2.0
221.13423	5.1
221.15375	100.0
222.15750	5.8
223.11301	2.7
223.14861	3.9
225.12779	4.1
225.16280	2.6
227.14430	3.3
229.15891	4.0
231.13889	3.3
233.13260	3.3
233.15332	3.3
234.16174	18.0
235.14799	4.0
235.16962	2.0
237.12822	4.5
237.16486	2.2
239.14317	3.3
240.18729	2.2
241.15906	3.1
243.13875	1.9
247.14645	1.6
247.16972	29.3
248.17644	3.6
249.16490	3.2
251.14401	2.5
253.15924	2.8
257.15567	2.2
259.16998	5.3
263.17722	1.6
267.17307	2.7
269.15375	2.5
271.17075	3.4
273.18610	2.1
274.19315	13.9
279.17252	2.8
281.15524	1.4
281.18924	2.5
283.26331	5.6
284.17474	1.7
285.18646	2.2
286.19263	4.2
287.20102	11.6
293.19217	2.0
297.18472	2.8
299.20142	16.2
300.20743	2.0
300.29050	2.0
301.16678	1.7
307.20572	2.3
310.19272	2.2
311.19946	5.1
312.20840	10.3
313.21735	6.9
325.21622	12.9
326.22052	2.2
327.23187	2.9
335.68387	1.7
337.21634	4.2
339.23172	5.7
340.23956	18.5
344.31628	1.7
352.23956	33.4
353.24551	2.7
365.24716	3.9
366.25467	4.5
379.26236	4.2
387.25333	3.0
391.26529	3.7
392.27057	4.1
400.25986	3.6
413.26752	6.6
419.29407	8.8
420.30093	3.0
425.26886	10.8
426.27481	5.1
427.28519	16.3
439.28247	1.8
440.29257	51.7
442.30893	4.0
454.30728	2.5
507.34680	4.0
508.35352	6.3
520.35553	40.2
521.36078	3.0
550.48694	1.7
585.39014	4.8
600.41431	39.5
600.55414	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01876	2.6
55.05517	6.9
57.07076	14.8
59.05008	2.6
64.64925	2.1
65.03932	2.3
67.05510	16.3
67.34175	2.2
69.00851	1.9
69.03428	9.1
69.07072	7.4
70.00574	8.2
75.05146	1.8
75.12322	2.1
79.05495	14.2
81.07058	21.8
83.04975	7.7
83.08611	4.5
85.06560	5.7
87.24075	2.1
89.06038	11.4
90.45702	1.9
91.05493	25.2
92.06297	2.1
93.07053	34.1
95.04976	12.1
95.08620	26.0
97.06532	6.3
105.07033	48.9
107.04947	3.8
107.08598	26.6
109.06518	14.5
109.10179	8.4
115.05428	3.3
116.06203	2.5
117.06997	11.2
118.07904	2.2
119.04956	2.1
119.08593	62.7
120.38715	2.0
121.06509	8.0
121.10152	23.3
122.10425	2.2
123.08086	17.3
123.11736	3.1
125.05998	9.0
128.06232	5.7
129.07066	10.4
130.07796	3.8
131.08585	24.0
132.09329	3.0
133.06538	3.0
133.08591	3.5
133.10143	22.5
135.08073	22.5
135.11691	6.9
137.05995	3.4
137.09622	13.9
139.07603	2.3
141.06978	4.5
142.07813	10.3
143.08591	21.9
144.09329	2.7
145.06459	2.8
145.10141	37.9
147.08055	29.3
147.11705	10.7
149.09637	14.2
151.07556	14.6
151.11201	2.8
153.07024	3.5
155.08566	8.7
156.09364	10.0
157.10149	33.0
158.10884	7.0
159.08051	5.7
159.11705	27.2
160.08832	5.9
160.12402	2.3
161.09639	12.4
161.13274	6.4
162.10411	4.0
163.11201	17.9
165.09140	47.6
166.07835	2.7
166.09479	2.7
167.08563	6.2
168.09358	4.2
169.10164	17.0
170.10873	5.5
171.11691	20.7
172.12462	6.7
173.09631	11.8
173.13286	7.7
175.11198	24.6
175.14810	2.3
177.09113	3.1
178.09901	3.7
179.08600	2.5
179.10811	2.8
180.11432	4.0
181.10153	7.6
181.12259	22.0
182.10927	4.8
183.11710	19.5
185.09647	5.8
185.13306	12.2
187.11195	6.2
187.14891	3.4
189.12738	7.3
190.13490	12.5
191.10649	5.9
193.10182	5.6
193.12234	13.5
194.10921	5.0
195.11687	10.3
195.13638	3.2
196.12462	4.4
197.09785	2.6
197.13283	12.6
199.11188	5.4
199.14870	4.5
201.12747	7.5
203.14333	22.7
205.12297	2.8
207.11667	7.2
207.13843	10.4
208.12643	4.3
208.14594	8.5
209.09622	2.6
209.13264	8.8
210.10522	2.4
211.11333	2.0
211.14822	6.8
212.15553	2.5
213.05750	2.1
213.12677	4.1
215.14366	4.4
216.54523	2.1
219.11955	2.5
219.13908	11.7
221.13489	4.0
221.15376	100.0
222.13768	2.7
222.15755	11.1
223.11211	3.0
223.14908	5.2
225.12766	6.5
227.14253	4.3
227.17982	2.3
231.13788	3.1
233.15456	5.0
234.16095	24.0
235.14796	3.6
237.12753	3.8
239.14363	4.2
241.15659	3.1
246.14189	2.2
247.16948	31.3
248.17564	3.5
249.16376	3.3
259.16977	5.8
263.18082	3.4
265.15958	2.8
271.16895	4.7
273.18677	2.6
274.19470	13.9
281.15457	3.3
281.18732	3.5
285.18463	3.7
286.19217	4.6
287.20044	12.1
297.18475	4.2
299.20129	21.2
300.20831	3.4
307.20587	2.8
309.18402	2.5
310.19205	3.8
311.19962	5.6
312.20795	9.7
313.21661	8.1
325.21594	19.1
326.22473	3.3
327.23291	3.5
337.21790	3.3
339.23209	6.2
340.24057	18.4
351.23383	3.5
352.23962	31.5
365.24768	6.7
366.25638	4.0
377.20554	2.3
378.25693	2.9
379.26291	7.0
387.25504	5.8
390.25162	2.8
391.26163	3.6
392.26801	4.0
400.26279	3.3
413.26846	8.5
419.29572	13.5
420.30124	2.2
425.26883	9.3
426.27554	7.1
427.28339	18.2
440.29236	59.8
442.30588	2.4
454.30557	2.9
505.32977	3.1
507.34421	2.9
508.35272	7.7
520.35516	47.0
585.39276	4.6
600.41577	52.4
600.55579	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	600.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
56.05035	1.0
56.96560	0.8
57.03440	0.6
57.05822	0.4
58.06594	0.8
60.14285	0.2
61.31438	0.2
68.05029	4.6
69.03428	0.8
69.07069	7.6
69.58503	0.4
69.58897	1.4
70.06594	2.5
71.05000	2.0
72.08155	1.5
77.77404	0.3
79.05483	0.5
81.03439	0.8
84.03997	0.3
84.04504	6.4
84.08150	0.9
85.02913	4.6
86.06072	43.9
86.09708	100.0
87.04453	0.5
89.51310	0.2
91.03954	0.3
91.05477	0.4
91.26871	0.3
97.02887	1.2
97.06516	0.3
98.20762	0.5
98.97575	1.2
99.04479	0.4
100.83908	0.3
102.05534	3.9
105.07034	0.3
107.04973	0.6
109.02853	0.4
109.10081	0.3
114.05557	1.4
114.09189	0.4
116.07106	0.4
116.98595	0.3
117.03329	0.5
119.04928	0.8
120.08109	0.2
121.10104	0.4
125.09615	0.4
127.03918	0.5
128.98634	0.3
129.05516	0.7
129.10248	0.5
129.88829	0.3
131.08537	0.4
132.06572	13.9
136.07576	0.3
137.06007	0.4
142.04996	0.6
143.00159	0.6
145.02864	0.7
145.04999	0.6
147.04405	3.8
149.09671	0.6
155.11833	0.5
156.12204	0.4
158.99651	0.3
163.03886	0.8
169.09645	0.3
170.99678	0.3
177.00627	0.4
177.05479	1.4
197.09218	7.7
199.14433	7.0
199.18057	6.5
201.00754	0.3
204.10226	1.1
209.70352	0.3
215.10284	4.6
219.01768	1.0
223.06435	0.3
225.08699	8.0
225.10812	0.6
227.13951	3.4
227.17497	2.0
229.05087	0.4
237.02834	1.2
243.09822	3.2
243.13533	0.4
245.15004	4.1
245.18633	0.3
249.11203	0.6
255.06299	0.3
265.07968	0.5
266.08932	0.5
292.16595	0.8
303.04962	4.2
304.05380	0.5
310.17630	7.3
333.05499	0.8
338.17014	3.7
340.22412	1.0
356.18170	7.4
356.22424	0.5
359.00540	0.4
363.06061	0.5
367.10770	0.4
377.01843	0.7
381.07053	0.4
394.22382	1.0
406.08344	3.0
406.58044	0.3
420.25681	0.3
423.26056	16.1
427.12457	1.4
438.23898	0.6
441.27237	2.3
449.16901	0.6
451.25562	9.4
469.26611	12.5
471.28070	0.5
509.11664	0.6
518.76910	0.3
571.80701	0.3
582.30646	0.8
600.32184	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	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26076	0.7
53.03937	1.7
55.01855	1.0
55.05513	4.5
57.07079	7.8
59.04998	2.6
64.03905	0.7
65.03955	1.1
67.05509	9.2
67.62855	0.8
69.03426	7.4
69.07063	4.0
70.80974	1.0
70.81306	1.8
72.08154	0.8
79.05499	9.0
81.03423	0.9
81.07065	13.4
83.04974	3.5
83.08620	1.4
85.06547	3.8
91.05480	13.9
93.07045	23.9
95.04990	6.1
95.08610	14.9
97.06534	3.2
103.05434	1.6
105.07033	25.9
107.08601	13.0
109.06537	5.5
109.10165	4.0
111.08115	2.4
112.34111	0.8
115.05473	1.0
117.07038	4.6
119.08583	25.2
121.06491	5.0
121.10152	12.3
123.08075	12.3
123.11720	1.1
125.05998	3.1
128.06245	2.0
129.07004	5.2
130.07780	2.5
131.08589	9.3
133.06479	1.6
133.10127	13.4
135.08063	11.8
135.11694	5.3
137.06068	1.3
137.09613	13.7
139.07562	3.3
139.11273	0.8
141.07008	2.3
142.07777	6.8
143.08557	8.6
144.09377	2.4
144.36868	0.9
145.06488	1.0
145.10126	15.3
147.08054	24.0
147.11731	3.3
149.09631	3.7
151.07542	11.5
155.08543	5.5
156.09378	4.3
157.10147	18.9
157.11095	0.5
158.10927	1.4
159.08098	2.6
159.11719	9.3
161.09615	7.7
161.13255	5.2
163.11188	7.8
165.09119	51.7
166.87169	0.8
167.08572	2.1
168.09383	3.3
169.10104	6.9
170.10941	3.7
171.07938	0.9
171.11678	9.1
172.08775	0.9
173.09703	3.4
173.13269	3.0
175.11212	1.7
175.14850	1.3
177.09135	2.5
177.12859	1.3
179.08575	1.7
179.14319	2.4
181.10138	4.1
181.12270	6.9
182.10905	2.4
183.07945	0.8
183.11714	10.3
185.09599	1.9
185.13263	7.8
187.11240	3.0
187.14912	1.9
188.11987	0.9
189.12738	4.4
191.10698	3.1
191.14307	1.6
193.10152	2.2
193.12088	0.8
194.10995	1.4
195.11725	5.1
195.13591	1.1
196.12494	2.5
197.09659	1.2
197.13239	5.3
199.09503	1.0
199.11232	3.7
199.14871	1.0
201.12834	1.4
203.14299	16.7
207.11743	3.3
207.13828	6.6
209.13354	3.9
209.15121	1.2
211.11336	1.3
211.14853	6.0
213.12723	2.0
215.14359	1.1
221.15363	100.0
222.14020	1.1
223.14880	2.7
225.12726	1.6
225.16451	1.7
227.14401	2.6
227.17799	1.1
229.15924	1.7
231.13815	1.7
233.15356	1.3
235.14851	1.6
235.16908	1.2
237.12802	1.0
237.16330	0.9
239.14384	1.1
247.14711	1.3
247.16925	16.6
249.12637	1.4
251.14220	1.8
251.18036	1.2
262.22498	0.9
269.18909	1.0
271.17105	1.1
281.18994	2.1
285.18851	1.1
287.20102	7.1
299.20157	4.9
301.21622	2.6
309.18372	1.2
311.20328	1.1
313.21707	2.1
325.21509	1.3
327.23151	2.2
337.27222	2.1
338.27969	1.6
339.28125	3.0
349.27524	2.7
350.28467	1.8
365.24780	4.3
373.25333	1.0
375.46140	1.0
391.26370	9.6
413.27029	2.1
419.29337	4.9
427.28485	6.8
453.29718	1.6
481.99109	0.9
507.34683	9.2
519.34705	3.0
581.40100	2.4
599.40967	84.9
600.41351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01878	1.0
57.03439	0.7
67.01849	0.4
69.03434	0.5
69.34142	1.2
69.34561	1.7
70.06600	3.6
72.08154	1.1
74.82394	0.4
79.05508	1.3
81.03401	1.1
84.04498	1.1
84.08148	2.4
85.02912	3.5
86.09721	2.0
91.05491	0.9
95.04964	1.7
97.02891	1.3
98.20635	0.5
105.04505	0.7
107.04961	100.0
109.02893	0.8
110.07157	0.8
110.71790	0.4
120.08108	0.6
121.02863	1.6
121.06521	0.8
129.07013	0.6
129.10271	0.9
131.04965	1.5
132.05656	0.4
135.04428	0.6
137.06000	1.0
139.03941	0.6
141.06934	0.5
145.02846	0.5
147.04393	1.6
149.02322	0.4
149.05998	1.1
151.03909	1.3
156.60124	0.4
159.04333	0.4
161.05991	1.0
163.03877	1.9
167.07082	0.7
169.04974	0.4
171.04456	1.2
173.06010	0.9
175.03926	3.0
175.07617	0.7
177.05461	2.6
181.04958	2.9
185.06035	0.5
187.03931	1.8
189.05505	1.7
191.03391	1.1
193.04955	3.0
199.03920	0.6
201.05487	2.1
203.06996	1.0
205.04990	4.5
207.06549	0.4
213.05530	1.1
217.04968	4.7
219.06535	1.9
221.04524	1.0
223.06049	1.8
225.05647	0.7
227.07042	0.6
229.04915	2.3
231.06552	2.3
235.05942	3.3
237.05466	0.8
241.04996	1.2
243.06697	1.3
245.08319	0.5
247.06021	6.7
253.05058	0.8
255.06592	1.2
257.04529	0.6
257.08429	0.4
259.06021	6.6
267.06454	0.5
269.08063	0.6
271.05997	3.4
273.07568	0.9
273.59927	0.5
277.06894	2.0
279.06509	0.9
281.07962	0.6
283.06104	1.7
285.07632	1.0
287.09286	1.1
289.06985	2.7
293.08185	0.5
297.07623	1.2
299.09012	1.9
301.07095	3.4
311.09213	1.8
313.07071	2.5
315.08905	0.5
317.10266	1.0
323.09131	1.0
325.06937	2.8
327.08826	0.9
329.10217	2.8
337.07129	0.6
341.10190	3.5
343.08237	1.2
353.10269	5.1
355.08038	0.6
355.94626	0.4
359.11349	0.6
361.09286	0.5
365.10199	4.3
367.02386	0.4
377.10333	1.8
383.11261	6.6
389.10217	1.3
393.09653	0.5
395.11316	7.5
401.12238	0.9
407.11292	7.3
413.12323	3.0
419.11063	4.6
425.12491	3.5
431.13425	10.3
437.12280	0.6
443.13367	3.8
449.12344	5.7
461.13263	3.5
467.13559	3.7
473.12415	1.0
479.13538	3.2
485.14417	3.3
491.13284	2.2
497.14481	6.2
509.14325	3.3
527.15637	2.5
545.16742	1.3
563.18182	0.8
597.50647	0.5
599.20526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01884	1.3
55.05513	1.9
56.05026	0.5
57.03426	0.7
58.06599	0.7
61.02918	0.6
62.48726	0.2
63.70790	0.2
69.03427	2.0
70.06587	3.0
71.04989	0.6
71.51839	0.3
72.08154	6.3
73.02910	0.5
74.06090	0.3
78.52580	0.3
79.05497	0.3
79.64375	0.2
81.03419	1.6
84.08160	2.3
85.02914	2.8
86.09705	1.1
87.04449	0.5
91.05497	0.8
92.47772	0.3
95.08644	0.3
97.02886	1.5
98.06055	5.4
98.09698	0.3
101.07136	0.7
107.04961	2.4
109.02898	0.7
110.07180	0.6
110.09677	0.5
112.11247	0.7
113.07130	4.2
115.05435	1.3
115.08695	0.5
119.04978	0.9
120.05729	1.8
120.08119	0.6
121.02879	1.2
127.03908	0.6
127.08662	1.5
129.10281	0.3
131.04938	0.4
131.65068	0.4
136.07594	0.5
137.05974	0.6
137.88306	0.2
141.10240	0.4
143.04921	2.5
144.05710	1.7
145.02849	0.5
145.06487	0.8
147.04436	0.4
153.10260	0.5
155.11795	15.5
156.11177	0.2
159.04396	0.4
163.03952	0.8
167.07069	0.4
170.05965	0.3
171.04404	6.6
171.05736	0.5
172.14447	3.2
176.10753	0.7
177.05501	0.8
181.05037	0.3
181.06570	0.8
181.10104	0.4
187.03944	0.7
190.07845	0.4
191.08563	2.7
194.07327	1.3
195.08098	0.5
198.12378	3.7
198.14072	0.4
201.06979	0.4
205.06549	0.6
207.08043	1.2
209.09631	1.9
218.07333	0.7
219.08060	9.2
219.10144	0.5
220.08878	0.4
221.06116	0.3
221.09779	0.3
223.07539	2.4
225.09129	0.5
226.08647	0.9
229.07681	1.2
235.07549	3.6
237.09102	8.0
237.11411	0.5
239.10666	1.0
244.09697	1.0
247.07533	11.0
248.08192	0.7
250.06311	0.8
262.08716	0.6
263.07074	3.5
263.09644	0.4
264.10217	0.7
265.08600	26.4
266.08994	0.3
283.09744	0.3
290.08170	0.9
291.06479	6.1
307.09738	0.5
320.12646	1.2
322.14368	13.0
347.13684	0.4
348.12289	6.9
348.16461	0.4
362.13794	0.4
365.08777	0.3
383.09851	0.3
409.13071	0.3
419.20023	1.2
436.22305	3.4
484.19681	5.8
510.17276	1.3
518.64642	0.3
580.25586	0.4
581.24872	0.8
598.27588	100.0
599.28253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01875	1.2
55.05502	0.5
56.05042	0.5
57.03434	0.4
58.06602	0.9
59.04987	0.2
61.02926	0.7
69.03429	2.5
69.49010	1.7
70.06590	3.1
71.04984	0.4
72.08155	7.2
72.92389	0.2
73.02924	0.4
74.12482	0.2
79.05494	0.3
81.03436	1.3
83.01326	0.2
83.04980	0.3
84.04514	0.6
84.08139	1.9
85.02911	3.3
86.09715	0.7
87.67115	0.3
91.05491	1.0
95.08648	0.2
97.02901	1.6
98.06059	1.1
98.97593	0.3
99.04449	0.6
101.07152	1.8
105.07026	0.4
107.04954	3.9
107.08611	0.5
109.02873	0.7
110.07185	0.4
110.09711	0.5
112.11248	1.1
113.07134	4.2
115.05473	1.7
119.04967	1.1
120.05727	2.5
121.02845	1.4
127.03944	0.8
129.05515	0.3
129.10320	0.2
129.13876	0.4
131.04942	0.6
131.08620	0.6
136.43111	0.2
137.05974	0.5
143.04944	3.6
144.05710	2.2
145.02867	0.4
145.10121	0.4
149.05998	0.3
149.09607	1.7
151.03932	0.3
155.11797	19.8
159.04405	0.6
161.05975	0.5
162.09138	2.0
163.03865	0.5
165.07053	0.4
166.07808	0.2
170.06047	0.7
171.04404	7.5
172.14462	8.7
173.09703	0.3
175.06053	0.6
177.05524	0.6
177.07077	0.3
179.08598	0.4
181.06487	1.1
181.10188	0.7
187.03935	0.5
189.06998	0.4
190.07828	0.7
191.08574	4.4
191.10419	0.4
194.07274	1.6
195.08051	0.8
198.12401	2.1
201.06927	0.6
202.07816	0.4
205.06566	0.8
207.08099	2.1
209.09662	2.9
218.07259	1.2
219.08064	11.2
220.08966	0.8
222.06781	0.6
223.07527	2.2
226.08633	8.4
228.06372	0.3
229.07690	1.9
234.09163	0.6
235.07549	5.0
235.09749	0.3
236.08366	0.3
237.09113	8.9
239.10629	0.4
244.09746	0.7
245.06348	0.3
247.07530	12.0
248.08199	0.7
250.06346	0.9
251.06825	0.3
262.08597	1.2
263.07028	8.0
264.10382	0.2
265.08603	30.8
271.07568	0.3
272.07104	1.1
273.08051	0.5
290.08136	2.4
291.06522	9.4
307.09778	1.0
316.08331	0.3
322.14435	0.7
336.16049	1.0
347.13806	1.2
348.12308	14.9
350.13751	0.3
362.13815	0.5
383.17029	1.9
409.13397	0.3
418.21457	1.1
419.19437	0.5
430.10818	0.3
436.22427	3.5
464.14841	0.2
498.21530	0.4
510.17755	1.3
562.15234	0.7
580.26270	0.3
598.27600	100.0
599.27466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40905	11.0
55.05503	39.9
57.07071	30.6
67.05510	61.2
69.07085	53.7
70.11486	41.5
71.08633	27.9
74.13636	10.2
79.05504	41.5
81.07064	100.0
83.04966	16.2
83.08617	29.8
85.10180	12.0
88.79324	8.8
91.05476	44.1
93.07054	65.4
95.04970	15.3
95.08611	82.3
97.10161	20.5
105.07050	88.9
107.08569	69.3
108.06019	9.8
109.06543	18.8
109.10184	67.1
111.08129	13.4
111.11717	15.4
119.08598	73.6
121.10154	43.9
123.08054	17.6
123.11687	16.8
131.08572	30.8
133.10106	54.5
135.08043	19.7
135.11720	24.8
137.09615	19.7
139.11212	10.1
142.22205	10.0
143.08557	27.7
145.10143	39.9
147.11711	62.6
149.09691	13.9
149.13226	12.9
151.31645	9.4
157.10143	22.0
159.11615	22.2
161.13312	15.3
163.11188	16.8
165.12775	15.3
167.11957	9.4
171.11632	13.9
173.13254	13.2
183.11682	19.6
185.13258	12.1
199.14848	19.1
209.13260	13.5
211.64105	10.0
231.49680	9.3
257.19354	9.6
397.38516	12.4
457.39359	9.9
549.50415	21.6
597.49823	17.0
597.60168	23.4
599.94031	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	598.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.01858	1.8
60.04516	0.9
69.03416	2.7
69.69463	1.8
69.69856	4.6
70.06244	1.0
70.06594	8.6
71.04984	1.0
72.08128	2.5
77.03947	1.1
77.09392	1.0
78.04716	2.0
79.05501	4.8
81.03419	21.4
81.07036	1.4
83.35784	0.8
84.08120	4.0
85.02911	10.4
86.09689	4.1
91.05485	4.3
93.07050	1.9
94.04188	1.4
95.04949	2.6
97.02865	3.7
98.06026	1.1
98.20832	1.5
103.05461	4.1
105.07011	3.5
107.04953	10.8
110.07162	1.7
115.05429	7.9
116.06207	1.2
117.07021	14.0
119.04962	0.9
119.08576	1.6
120.08124	2.6
121.06458	1.2
122.03622	1.5
123.04429	4.9
124.05168	2.7
125.05924	0.9
127.03925	2.7
128.06175	1.0
129.06981	4.2
131.04924	2.6
131.08545	3.1
132.08005	1.1
133.06436	3.8
133.10110	1.6
137.05984	17.7
141.07011	1.7
143.04938	1.3
144.05695	2.4
145.05005	2.6
145.06494	31.5
146.91908	0.9
147.04359	2.3
147.08037	1.3
149.05966	2.0
151.03859	1.6
152.04680	2.2
153.05486	1.6
155.06009	6.0
156.05682	7.0
157.06468	1.5
159.07991	4.6
161.05972	4.7
162.07698	1.9
163.03880	1.7
163.07523	1.3
164.06921	1.2
166.08629	2.2
167.07042	72.5
168.07375	2.7
169.07585	1.5
173.05991	60.3
174.06677	1.4
175.07471	2.3
176.07076	1.5
177.05444	2.6
180.08649	3.4
181.04919	3.2
181.08627	1.2
184.05226	1.3
185.38181	1.3
187.07520	7.2
190.06258	34.1
191.06963	3.4
193.08563	3.3
195.06485	1.5
202.06195	3.1
203.07011	7.8
205.08601	100.0
206.08163	1.1
207.06552	2.0
217.08586	40.4
219.08324	1.2
219.10120	4.4
221.05968	1.1
223.09764	2.1
231.06490	3.7
233.09778	1.2
235.09657	34.7
247.07487	1.9
247.09692	6.5
248.08417	1.8
264.07697	1.6
265.10721	40.3
269.07965	1.2
271.09653	1.9
275.06967	1.5
276.07999	1.0
277.08493	1.4
279.09863	1.4
281.07907	1.3
290.09500	1.0
291.10132	2.6
293.08093	1.4
299.09213	1.1
299.42981	0.9
307.09576	2.2
315.08493	4.8
317.30615	0.9
330.10880	6.5
331.11697	4.6
337.10580	1.1
339.12347	2.2
351.12259	4.0
356.12219	1.1
371.14914	3.6
383.14853	11.1
396.14664	1.8
398.15921	0.9
401.15939	14.2
426.15616	5.4
426.33908	1.1
493.00439	1.0
557.20782	1.0
560.55341	1.2
562.21179	1.2
598.26764	1.8
608.67712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	5.5
52.07113	3.7
53.03950	7.6
55.01865	5.4
55.05508	14.0
65.03910	4.6
67.05510	48.4
68.44871	4.1
69.03431	19.7
69.07071	16.5
70.06604	15.3
71.04982	13.5
71.52116	5.7
72.08167	7.2
74.06137	4.3
75.04470	11.6
79.05499	36.8
81.03420	22.4
81.07057	58.8
83.04958	4.4
83.08618	9.2
84.08124	9.0
85.02916	35.9
85.06561	12.5
86.09694	12.9
87.00832	13.5
91.05490	28.3
93.07045	55.9
95.04972	7.2
95.08619	37.8
97.02896	16.4
97.06530	6.1
97.10161	11.7
98.33627	4.4
99.04456	7.4
99.08108	12.3
103.05481	6.6
105.01878	9.9
105.07059	19.5
107.04984	9.3
107.08598	30.3
109.02883	11.6
109.10157	16.2
111.04489	4.1
117.06995	6.6
119.08588	17.6
120.08084	4.4
121.06517	15.1
121.10155	53.2
125.09645	7.7
127.03924	20.1
128.35120	4.1
131.04901	8.3
131.08543	6.9
133.06470	5.1
133.10133	12.1
135.08067	5.0
135.11694	34.2
136.07497	5.0
137.06015	14.5
139.11147	4.6
145.02809	8.0
145.10103	5.6
147.04373	7.1
147.11723	8.1
148.05179	7.7
149.13289	8.7
157.06143	3.9
159.11708	10.0
161.06012	5.2
161.13292	6.3
163.03876	6.1
163.07481	9.4
167.07053	38.1
168.07431	7.2
171.11711	7.9
173.05977	6.5
173.11818	7.0
173.29762	5.3
175.07599	6.5
177.05457	22.3
178.05917	5.4
181.04987	14.3
182.05304	5.5
191.07080	9.9
203.12776	7.3
205.08531	4.8
223.09729	27.2
259.20578	14.8
277.21628	60.4
278.14151	4.4
295.22720	100.0
313.23770	41.1
323.21790	4.8
331.24854	52.2
340.12772	5.7
355.11496	5.2
385.23846	6.4
402.13773	5.4
416.97073	4.4
417.15369	5.5
499.28659	6.8
525.26489	10.0
596.22394	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01864	0.8
55.05276	0.8
55.05518	10.9
57.03449	5.5
57.07074	2.2
67.05511	22.7
69.07077	14.4
71.04978	0.7
71.08639	0.9
71.53493	1.1
75.77822	0.6
79.05501	5.9
79.64225	0.6
81.03410	2.5
81.07063	23.2
83.05012	0.7
83.08627	6.3
85.02933	0.6
91.05487	5.8
93.07055	8.3
95.08617	20.4
97.06533	1.4
97.10194	3.4
98.98475	8.5
104.10796	0.8
105.07034	3.4
106.25648	0.5
107.08608	3.9
109.02900	1.5
109.10166	6.6
119.01938	0.7
119.08587	2.8
121.10144	3.4
123.11731	2.9
133.03506	1.5
133.10135	2.1
135.11699	1.6
137.13281	0.7
143.01915	0.9
147.11702	1.8
149.13278	1.4
149.14420	0.6
153.12712	0.6
155.01042	2.1
161.13274	1.3
163.14821	0.8
168.12460	0.6
175.14809	1.0
189.16551	0.7
245.22578	1.2
261.03711	2.3
261.22153	0.7
262.22433	1.3
263.23709	1.9
301.20166	12.1
317.06357	0.7
319.21152	1.1
337.27390	100.0
338.27841	0.6
342.22723	1.6
437.47769	0.6
473.06424	0.6
481.26428	0.9
537.29657	5.6
565.37445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14111	0.7
56.31151	0.8
71.51530	0.9
78.98671	0.6
81.07049	1.6
91.05478	0.8
93.07045	1.5
121.06522	2.4
123.03443	0.6
136.06192	1.5
144.63849	0.7
146.35110	0.6
167.07030	1.2
177.05544	2.7
193.08580	0.8
203.05222	0.9
245.06331	3.1
248.69647	0.7
289.05368	8.5
329.23801	2.3
347.25604	2.4
389.25482	0.8
491.28748	1.4
509.31158	3.7
551.31903	21.3
577.29858	1.4
595.30914	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76725	6.9
55.01860	6.4
55.05506	37.3
57.07084	38.6
65.03946	6.9
67.05506	51.7
69.03421	20.6
69.07076	63.3
71.08633	23.0
71.50105	8.3
71.52753	7.1
79.05483	51.1
81.07060	100.0
83.04965	17.5
83.08624	25.1
85.10186	16.0
90.95414	6.4
91.05489	56.9
93.07049	74.9
95.04964	25.8
95.08604	77.4
97.06543	10.9
97.10176	17.8
105.07028	95.2
107.08601	94.1
109.06535	37.2
109.10167	69.4
111.11686	9.5
117.07031	27.1
119.08590	76.2
121.06533	21.2
121.10169	36.2
123.08071	22.0
123.11748	10.7
125.09664	14.4
129.06975	12.7
130.07681	7.4
131.08577	41.7
133.06506	9.3
133.10136	41.4
135.08069	19.6
135.11688	13.1
137.09558	6.9
141.06941	11.9
142.07773	13.6
143.08574	29.8
145.10123	59.8
147.07980	8.7
147.11691	58.1
149.09612	52.9
149.13239	16.8
151.11198	8.6
155.08551	17.4
157.10152	30.4
159.11720	42.1
161.09642	18.4
161.13297	12.7
163.11183	8.7
169.10127	23.0
171.11749	29.0
173.09601	15.6
173.13252	21.9
175.11232	11.1
175.14885	8.3
181.10030	7.2
183.11723	21.2
185.13286	16.0
187.11229	11.6
187.14780	8.6
197.13243	18.7
199.14807	12.8
203.14360	7.6
209.13298	11.1
211.14932	8.3
213.12708	9.9
215.14423	11.8
217.15903	11.1
225.00314	6.4
225.16292	9.5
229.15865	27.7
237.16162	8.1
239.18027	11.9
251.17995	9.0
281.19037	19.5
285.18445	22.3
361.34534	18.8
547.48724	16.4
559.48663	15.8
565.49701	19.3
577.49988	79.6
595.49829	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	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
53.33765	0.6
53.62087	0.6
55.05521	6.6
57.03446	7.4
57.07075	1.1
65.03927	1.3
67.05509	29.7
69.03452	1.0
69.07076	6.8
70.10402	2.7
71.04986	1.1
79.05499	15.6
80.42722	0.6
81.03423	4.3
81.07059	27.3
83.04973	0.8
83.08621	2.0
83.68917	0.7
85.02891	0.9
90.43990	0.6
91.05483	10.0
93.06490	1.1
93.07048	17.3
95.04967	1.1
95.08612	19.5
97.06515	1.0
97.10175	1.1
98.21402	1.2
98.97530	0.8
98.98474	11.6
105.07042	5.1
107.08595	7.4
109.02849	3.6
109.06505	0.8
109.10175	8.6
117.07027	1.2
119.08595	4.1
121.10155	6.3
123.08084	0.6
123.11710	2.3
125.87804	0.7
127.03918	0.8
131.08589	2.4
133.10135	2.7
135.07967	0.8
135.11678	2.9
145.10132	1.1
147.11690	2.0
149.13260	1.8
155.01003	2.3
159.11656	0.8
161.13254	1.2
163.14746	0.7
166.70644	0.6
173.02171	0.8
173.13167	1.1
175.14861	0.8
187.14761	0.7
217.83853	0.7
243.21092	1.5
261.03711	2.5
261.22171	2.2
304.26300	2.3
317.05927	0.7
317.24728	1.1
335.07312	1.3
335.25812	100.0
336.26147	0.8
358.16357	1.5
463.02377	0.6
511.14539	0.7
557.13617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61732	0.7
53.03937	1.5
55.05283	0.7
55.05515	8.6
57.03440	6.2
57.07071	0.7
65.03932	1.0
67.05509	30.1
69.03416	1.0
69.06795	0.6
69.07073	7.1
69.30161	6.0
73.06577	0.8
79.05500	14.9
79.14543	0.9
81.03420	3.7
81.06601	1.5
81.07062	27.8
83.08617	3.5
85.02908	1.5
86.69150	0.7
91.05476	7.8
93.07049	17.0
95.04984	1.1
95.08615	21.8
97.06503	1.3
97.10150	0.8
98.97552	1.0
98.97823	0.8
98.98476	10.6
105.04565	0.7
105.07016	5.3
107.08604	9.3
109.02876	2.9
109.10164	9.6
117.07022	2.0
119.08624	3.7
121.10146	7.1
123.11687	2.8
131.08559	3.5
133.10112	3.5
135.11687	3.7
137.13257	1.0
145.10141	2.0
147.11720	1.3
149.13266	2.4
155.01003	2.0
159.11737	1.6
161.13290	1.6
162.62099	0.8
163.14854	1.0
173.13272	0.9
187.14752	1.1
193.01675	1.0
194.94844	0.7
226.37090	0.8
234.41087	0.8
243.21048	1.1
246.31181	0.8
246.66545	0.7
261.03726	2.5
261.22162	1.8
276.15338	0.8
335.25815	100.0
336.26230	1.5
595.22192	0.9
595.30981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40713	0.5
70.06596	0.6
70.21373	2.2
74.02433	0.8
81.03349	0.6
84.08159	0.9
103.05490	0.7
105.06981	0.6
107.04951	3.2
115.05489	1.0
117.05707	1.0
118.05712	1.1
118.06541	17.1
120.08076	1.0
130.06535	1.6
132.08113	5.2
133.06514	0.7
135.08087	1.1
142.06523	1.9
143.07307	1.9
144.04587	0.8
144.08089	10.4
146.06017	59.1
159.09204	5.2
163.07585	3.9
167.07033	2.6
170.05980	4.5
181.04967	1.1
188.07069	100.0
189.07446	0.9
191.16692	0.6
195.10193	5.8
205.09729	45.7
221.08092	0.6
231.15700	0.6
261.38025	0.7
312.12274	2.1
334.05954	0.5
367.06107	0.7
433.14337	0.7
561.28595	0.7
595.19891	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	595.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01873	2.2
65.03941	5.3
67.05499	2.2
69.03419	3.4
69.07041	0.8
69.29589	0.7
70.06605	4.9
70.59664	0.7
72.08157	2.7
77.03913	0.9
77.70461	0.7
78.04695	0.8
79.05502	5.2
81.03417	1.9
81.07051	2.1
82.04208	1.3
84.08127	1.6
85.02911	4.4
86.09694	2.1
91.05488	12.6
92.06264	2.3
93.03426	2.2
93.07057	2.1
94.04198	1.2
95.04966	2.9
97.02862	1.1
97.06539	1.8
103.05453	4.3
105.07021	3.3
106.04180	1.5
107.04964	21.7
107.08562	0.8
109.06541	0.9
110.03652	2.2
110.07198	0.8
111.04446	1.4
115.05451	5.2
116.06248	0.9
117.03367	1.8
117.07037	5.2
118.04192	1.3
119.04955	5.1
119.08546	1.3
119.29604	0.8
120.05724	3.8
121.02838	1.0
121.06541	4.1
123.04420	3.6
124.05236	1.9
125.05976	3.3
127.03890	0.7
128.06177	1.3
129.07040	1.5
129.10234	1.6
131.04948	5.4
131.08540	0.9
132.05769	1.3
133.02849	1.4
133.06516	4.8
134.03616	1.0
135.04442	5.2
136.07503	1.0
137.05988	8.9
138.03041	1.4
139.03886	1.2
142.02592	2.2
143.04948	1.3
144.05690	1.0
145.02817	3.0
145.06526	5.5
147.04414	6.1
147.07988	1.6
148.05220	6.0
149.05981	2.6
151.03886	2.3
151.07549	3.5
153.05486	3.7
154.06207	1.4
155.05983	1.7
157.06433	1.0
158.07207	0.8
159.04434	1.4
159.08023	1.1
161.06007	6.8
163.03908	3.2
163.07513	1.3
164.04716	1.1
165.05492	16.1
166.06219	0.9
167.07051	52.5
171.06512	2.5
173.06015	6.8
175.07507	3.4
177.05478	10.7
179.07014	2.6
180.07773	1.5
181.04964	90.8
189.05521	2.2
189.09097	0.8
190.06256	1.0
191.07027	3.3
191.60439	0.8
193.08545	1.3
195.06503	1.1
201.05472	2.1
203.07040	2.6
205.04926	1.8
205.08597	9.3
208.07292	1.9
209.08046	1.3
214.06287	1.0
219.06462	1.7
220.07294	9.3
221.08052	2.4
226.08241	0.8
233.08093	3.4
234.06717	0.9
234.08861	2.2
235.09612	7.2
247.07512	1.2
265.08832	1.3
271.09613	1.0
291.10114	1.9
293.08090	1.1
302.06241	0.8
307.09622	1.6
313.10782	1.0
317.10043	1.4
339.12228	2.4
347.07516	1.8
355.11688	3.4
357.13391	1.0
359.11057	1.9
367.11789	1.7
368.12488	1.0
369.13367	1.0
370.14233	0.8
373.12820	1.2
385.12839	18.8
387.14233	2.8
397.12775	1.0
398.13608	11.2
401.12186	1.9
411.13953	0.9
415.13934	9.3
416.14667	100.0
417.15378	9.3
430.12622	4.0
565.20264	2.4
595.21692	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	595.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.8
53.03942	1.4
53.72970	0.9
55.01880	1.2
55.05515	2.3
57.07076	1.1
63.02367	1.0
65.03942	11.3
67.05502	4.0
67.06322	0.8
68.99741	1.0
69.03412	1.4
69.07065	1.3
70.06601	2.8
71.52528	1.8
72.08156	1.4
78.04699	1.2
79.05484	3.7
81.03410	1.7
81.07060	2.8
81.37739	0.8
82.04221	2.2
83.08623	1.7
84.04484	1.1
84.08141	1.3
85.02898	3.6
85.06544	1.2
86.09722	1.4
89.03918	2.1
89.26959	0.9
91.05479	7.6
93.03428	5.7
93.07050	1.5
93.39140	1.0
95.01350	2.3
95.04965	4.4
95.08622	1.3
97.02925	1.5
97.06537	1.4
98.09734	1.5
100.11265	4.9
103.05491	1.9
105.03376	1.5
105.07038	9.1
105.69584	1.0
106.04166	1.7
107.04933	7.0
107.08591	2.8
108.05751	1.3
109.02916	1.1
109.06512	2.7
109.10142	1.2
110.03660	11.7
111.04444	12.3
115.05474	3.3
117.03373	3.9
117.07023	1.5
118.80945	1.1
119.04935	3.2
119.08577	3.0
121.06495	3.5
122.33424	1.0
123.04420	3.3
124.05211	1.4
124.30072	1.1
125.05993	15.1
128.06146	1.3
129.07014	2.6
131.04953	2.9
132.05704	1.6
133.02853	1.6
133.06497	5.2
133.10112	0.9
134.03662	1.2
135.04439	1.9
136.05334	1.1
137.05972	8.8
138.03154	1.8
140.04730	1.8
144.05710	1.5
145.02838	12.0
145.06493	3.1
146.03175	1.2
147.04485	1.6
147.08054	1.6
149.06036	4.6
151.03912	1.4
151.07545	4.2
153.05476	52.6
155.07082	1.7
156.13840	1.4
159.08067	3.7
159.11711	1.8
160.05280	1.1
161.06030	6.5
163.03983	2.6
163.07527	2.2
165.05482	4.3
165.06825	1.4
167.07060	32.5
168.13841	1.5
171.06638	1.4
171.08090	1.0
172.05243	2.2
173.05992	2.1
175.03946	1.2
175.07568	7.6
177.05487	24.2
178.05812	3.7
178.07747	1.8
179.07141	2.4
180.04146	1.0
180.07831	1.6
181.04962	25.8
181.08696	1.4
182.15491	2.9
183.06458	1.2
185.05995	2.9
186.06798	2.6
187.07568	6.0
189.05504	8.2
189.07024	1.6
189.09306	1.2
190.07745	2.3
191.07016	2.3
191.08565	3.4
193.04889	1.7
193.10236	1.2
194.07249	1.4
195.06496	1.4
195.08049	1.5
199.07544	4.8
201.05449	1.2
202.07822	3.8
203.06912	1.1
203.08626	2.8
205.06523	3.8
206.07263	2.4
207.06523	4.2
207.08162	2.8
208.07132	1.4
209.08073	1.5
210.14932	3.1
215.08746	1.2
216.07764	7.9
218.07286	4.4
219.08084	10.4
220.08850	3.4
221.06062	2.2
221.09723	2.5
223.07597	1.2
225.07474	6.3
226.08278	1.0
229.06575	1.6
229.08607	6.4
230.07266	2.3
231.08063	3.8
232.08862	1.5
233.05966	4.4
233.09708	2.1
234.06752	3.2
234.10442	1.1
235.07462	6.2
236.08342	4.9
237.09053	2.9
245.05881	1.7
245.08141	3.5
246.08621	2.3
247.07504	7.0
248.08403	5.4
249.05284	1.2
249.09053	5.3
250.06310	1.1
250.09975	1.3
251.06944	1.2
251.10635	9.0
253.08641	1.9
259.07645	3.5
260.08191	1.2
261.05414	2.2
261.09192	3.9
262.06305	1.8
262.09872	2.4
263.07043	5.1
263.10580	2.4
264.07883	11.0
265.08658	8.6
274.06311	1.7
275.07104	2.7
276.07770	7.1
277.08542	5.8
278.09467	4.5
279.07184	1.1
279.10162	7.0
281.08191	2.8
281.11609	1.3
289.08633	2.3
290.09396	2.1
291.06842	1.9
291.10199	6.3
292.07266	2.5
293.08069	7.3
293.11282	1.9
294.08835	2.1
304.07401	2.7
305.07959	2.6
306.08960	1.4
307.06195	2.1
307.09668	26.7
307.13193	2.2
308.10352	6.9
309.11270	3.6
310.11954	1.1
311.12820	2.6
319.09653	11.1
320.10419	2.3
321.07849	1.7
321.10959	4.9
323.12756	4.4
324.09900	1.4
336.09943	1.6
337.10843	5.0
339.12283	100.0
340.12903	2.7
341.13895	2.4
351.12296	35.9
352.13126	5.1
359.11349	1.2
367.11679	1.1
369.13266	4.5
385.12726	1.9
416.14294	2.0
472.41309	0.9
594.45752	3.6
595.21167	8.1
595.46112	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	595.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
64.80244	0.6
69.04817	0.6
70.06612	1.5
71.50994	0.9
72.08170	0.7
84.04527	0.7
84.08141	1.0
85.02948	0.8
86.09714	0.8
88.30887	0.7
89.31589	0.6
102.05517	1.0
129.10277	0.8
130.66130	0.6
137.05966	1.3
175.03711	6.5
181.04982	1.4
194.08022	0.7
237.03131	0.7
270.19714	0.8
278.47073	0.7
291.23474	0.6
334.08258	0.8
351.10690	1.4
365.12100	1.6
379.03903	0.8
403.13455	0.9
415.13831	1.4
433.14789	11.7
595.20020	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01865	0.6
61.02911	0.5
65.03944	5.6
67.01838	0.4
67.05500	2.0
69.03437	2.7
69.07054	0.4
69.88786	1.1
69.89196	0.6
70.06568	1.0
71.04998	0.4
72.08144	0.4
74.26490	0.3
77.03914	0.6
78.04694	0.5
79.05499	9.1
81.03411	1.0
81.07027	0.4
82.00562	0.4
82.04204	1.8
84.08138	0.4
85.02446	0.4
85.02911	5.7
86.09697	0.7
87.04442	0.6
91.05456	1.2
93.03382	1.3
94.04172	0.4
95.04973	4.1
97.02889	0.9
97.06532	1.6
103.05466	0.9
105.03343	0.4
105.04512	0.7
105.07039	4.1
107.04961	22.7
108.02094	0.8
109.06487	0.4
110.03670	2.8
111.04414	0.9
115.05457	1.8
117.07035	1.9
119.04940	0.4
121.06471	0.7
122.03683	0.6
123.04432	4.1
124.05222	4.5
125.02341	0.4
125.06018	3.2
127.03933	0.5
131.04921	0.7
131.08472	0.5
133.06502	7.2
137.05980	1.2
138.03131	1.4
138.22774	0.3
139.07512	0.4
140.04665	0.9
142.02608	2.8
143.04948	0.5
143.06000	0.5
145.02841	0.4
145.06496	3.2
149.06006	0.4
152.04716	2.0
153.05466	2.5
155.04951	0.4
155.06017	0.8
155.07042	2.4
160.05132	0.4
161.05997	10.1
163.03864	0.9
167.07050	34.6
171.06598	3.2
172.05157	0.3
173.06007	2.8
175.03828	0.4
177.05438	0.9
178.06189	0.9
179.07056	0.4
181.04962	100.0
182.05312	0.4
183.06544	2.0
189.05505	1.9
190.06345	0.5
191.06967	0.7
192.07770	0.6
193.08620	12.8
201.05469	1.2
203.07158	0.4
205.08598	1.9
206.05734	1.4
207.06482	1.2
209.11703	0.8
217.08501	0.6
218.05708	0.8
219.06462	0.5
219.08295	0.4
221.08096	27.9
233.08102	10.6
233.10429	0.6
237.09167	0.4
249.07582	9.5
249.10011	0.5
250.06149	0.5
251.09178	0.5
261.07614	3.8
265.08536	0.4
279.08676	1.3
283.08633	0.4
287.05450	0.6
295.09744	0.5
297.11075	0.3
301.64984	0.3
309.11771	0.4
313.10626	0.5
325.10681	0.8
337.10794	0.9
341.10287	0.6
342.11176	0.7
358.10526	0.4
369.13354	0.7
371.11588	0.4
372.12054	0.7
373.12683	0.8
383.11304	0.9
385.13129	0.4
387.14404	2.0
397.12961	1.0
403.13901	54.6
404.13885	0.4
415.13892	25.8
433.14972	26.5
565.19208	9.4
595.20160	4.5
595.80066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03431	1.7
60.21157	0.2
61.02922	1.3
68.99799	0.3
69.03416	0.6
70.06593	2.1
70.28594	0.5
70.28976	0.5
71.04997	9.1
72.08150	0.4
73.02915	0.8
74.92349	0.2
75.04468	0.4
79.05507	0.3
81.03426	0.5
83.04991	0.6
83.12548	0.2
84.04498	0.4
84.08144	0.5
85.02908	12.2
86.09705	0.7
86.96790	0.2
91.03957	0.9
91.05465	0.2
97.02913	1.0
99.04473	0.4
103.05502	0.2
105.03450	0.2
105.73254	0.2
107.04949	0.7
111.00805	0.5
111.04425	0.6
113.80223	0.2
120.08113	0.4
121.02877	1.8
127.03905	0.6
129.05492	3.0
129.10251	0.3
131.04855	0.2
133.02855	0.5
137.02303	0.4
137.05991	0.3
138.75165	0.2
145.02837	0.3
145.06532	0.3
147.04495	0.4
147.06517	0.7
149.05983	0.5
153.01863	2.6
161.05989	0.2
163.03882	0.2
165.01846	1.5
167.07051	0.7
173.09244	0.4
177.05524	0.3
181.04936	1.2
183.02873	0.6
185.05922	0.4
201.05376	0.4
205.21541	0.2
213.05507	1.0
231.06371	0.5
233.08154	0.3
236.16467	0.4
241.04996	0.7
249.05635	0.2
258.05225	0.9
259.06033	0.5
271.06042	2.1
287.05505	100.0
288.05902	0.6
347.07581	0.4
415.14059	0.5
449.11072	0.4
584.92181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05453	0.5
57.07021	0.3
67.05465	0.4
69.07043	0.3
69.48412	2.1
79.05434	0.3
81.07024	0.8
95.08570	0.4
105.07001	0.4
107.08576	0.3
109.10146	0.5
112.78488	0.3
134.37711	0.3
313.27301	0.7
373.14386	0.3
388.17001	0.5
389.17599	0.8
390.18311	0.3
401.17987	0.3
402.18341	0.7
403.19238	2.5
404.20047	1.0
405.20938	1.8
415.19702	0.4
416.20520	0.7
416.83633	0.3
417.16772	0.9
417.21362	4.0
418.21780	2.4
419.22372	3.2
430.17682	0.8
431.18304	8.4
432.19354	1.7
432.24051	0.7
433.24194	6.5
433.78888	0.3
434.24698	1.0
445.19913	9.4
446.20792	3.8
447.21786	4.0
448.22488	0.3
449.23218	0.4
459.21503	3.2
460.22589	10.8
461.23322	8.9
463.21252	0.4
473.24084	1.8
474.24283	0.8
476.25763	1.1
477.22891	1.0
487.24896	0.8
489.26797	0.5
491.24841	1.5
492.25159	0.8
505.21878	4.3
515.24750	0.5
518.23145	0.5
519.23712	0.6
533.25525	41.9
534.25916	0.8
547.27399	0.4
564.23535	0.6
565.28058	0.8
578.24841	0.3
593.27606	100.0
594.27899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.7
56.74824	0.7
56.96547	0.9
57.07066	1.9
58.06594	1.4
60.08171	5.9
70.06594	1.5
71.07391	3.2
71.53279	1.2
72.08164	0.9
82.07816	0.7
86.09718	11.2
88.07657	3.2
102.09166	0.8
102.92564	1.3
104.10751	100.0
118.92109	0.7
136.93132	3.7
150.43268	0.7
154.94212	4.7
162.94713	2.6
172.95242	3.6
180.95760	11.1
182.80653	0.6
198.96817	23.6
203.10721	1.9
203.97432	1.1
210.96854	1.5
216.97859	8.3
221.98442	3.2
228.97960	1.8
239.99445	1.2
242.24962	0.7
242.74451	0.8
254.99472	1.4
256.26398	4.4
259.16940	2.0
284.82120	0.7
300.29028	2.6
313.20572	2.0
314.06598	0.8
331.21744	0.9
419.18924	1.2
449.19858	2.5
475.21384	1.9
478.25946	4.2
534.28741	6.8
535.23749	0.9
576.45935	5.9
594.21661	1.3
594.30981	19.7
594.46881	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	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.84090	0.1
67.05464	0.2
69.45156	0.4
69.45577	0.5
70.74372	0.1
81.07034	0.2
109.10134	0.2
117.03490	0.1
121.10164	0.1
189.44005	0.1
209.10768	0.3
211.12262	0.1
237.13959	0.1
255.94521	0.1
266.10522	0.1
299.14133	0.2
300.14920	0.1
312.15109	0.2
326.16586	0.1
328.17847	0.1
347.85132	0.1
350.16498	0.1
357.12460	0.1
387.16022	0.4
388.16809	0.3
389.17581	0.9
390.18774	0.2
391.19238	0.3
401.17664	0.5
402.18509	0.7
403.19308	2.1
404.20001	0.9
405.20700	1.6
406.21561	0.2
415.19507	0.5
416.15219	0.2
416.20602	0.9
417.16650	1.2
417.21524	3.1
418.21750	1.6
419.22369	4.0
420.23190	0.2
421.24353	0.1
430.17194	0.7
431.18271	8.1
432.18674	2.0
432.24207	0.4
433.24225	5.7
434.24847	1.2
444.19385	0.4
445.19977	9.6
446.20847	4.1
447.21725	5.7
449.23355	0.4
459.21567	3.4
460.22556	9.8
461.23294	8.6
462.20450	0.5
463.21362	0.4
473.23837	1.7
474.24271	0.7
475.20938	0.1
476.26572	0.8
477.22101	0.8
478.23996	0.1
487.25381	1.0
488.25867	0.2
489.26184	0.5
491.24207	0.7
492.25238	1.2
493.25970	0.3
504.21683	0.1
505.22018	5.5
515.24701	0.3
518.23328	0.6
519.23578	0.9
521.21881	0.2
533.25482	27.0
534.25861	0.5
547.27118	0.3
550.25909	0.2
561.24799	0.5
563.23230	0.2
564.23688	0.8
565.28223	0.8
575.26721	0.4
578.25043	0.2
593.27551	100.0
594.27631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17705	0.2
53.03942	0.5
55.01865	0.5
57.03430	0.4
59.11529	0.2
61.02910	0.5
63.02383	0.4
65.03960	0.2
68.99754	0.2
69.03433	2.2
70.06558	0.2
70.91005	0.4
71.04981	0.3
72.25113	0.2
73.02908	0.4
78.04725	0.3
81.03423	2.2
83.01310	0.2
84.08143	0.2
85.02909	4.8
86.09728	0.2
87.00829	2.1
89.03918	4.0
91.05493	2.5
95.04986	0.4
97.02891	1.3
99.04449	0.7
105.01867	1.1
106.04170	0.3
109.02884	2.4
117.03387	14.5
117.73698	0.2
119.04951	2.0
121.06556	0.2
127.03928	3.5
134.03607	0.8
135.04413	0.6
137.05981	0.4
145.02855	45.1
145.87401	0.2
146.03204	0.4
147.67471	0.2
149.04800	0.3
149.05988	5.0
151.07550	6.1
159.02933	1.2
161.06001	0.2
162.03159	1.1
163.03934	0.3
168.10178	1.0
177.05476	100.0
178.05804	0.6
186.05516	0.7
194.08195	0.3
219.06729	0.2
231.04979	0.8
344.14941	31.9
345.15421	0.3
357.34790	0.2
385.93808	0.2
416.15494	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01862	0.5
55.05526	0.2
57.03422	0.5
61.02921	0.3
63.02367	0.5
68.99789	0.2
69.03430	3.1
69.38273	1.2
70.06594	1.7
71.04978	0.4
72.08150	0.7
73.02918	0.5
78.04701	0.2
79.05463	0.3
79.94300	0.2
80.84406	0.2
81.03419	3.3
81.07103	0.2
84.04498	0.3
84.08134	0.8
85.02908	5.1
86.09699	1.0
87.00827	2.0
89.03922	4.6
91.05486	3.2
93.07053	0.2
95.04968	0.4
97.02900	1.7
97.90684	0.2
99.04453	1.1
103.05441	0.3
105.01879	1.1
105.07047	0.3
106.04153	0.3
109.02878	2.0
109.10197	0.2
110.07160	0.3
113.25418	0.2
115.08712	0.2
116.10740	0.3
117.03378	15.8
119.04926	2.0
119.08575	0.3
120.08101	0.4
127.03922	3.4
129.01854	0.3
129.10240	0.5
132.93689	0.2
134.03629	0.9
135.04396	1.0
136.05219	0.3
136.07607	0.4
137.05962	0.6
145.02849	47.1
145.04849	1.1
146.57187	0.2
147.04370	0.3
149.05989	5.4
151.07542	8.7
158.05994	0.2
159.02954	1.4
162.03146	0.3
163.03917	0.6
167.07063	0.3
168.10179	1.5
173.65616	0.2
177.05472	100.0
178.05806	0.6
186.05553	1.1
193.08591	0.2
194.08250	0.2
212.16409	0.2
230.17363	0.3
231.04965	0.5
311.09015	0.2
316.21292	0.3
340.75763	0.2
344.14932	35.7
345.15085	0.4
382.10806	0.2
410.50461	0.2
416.15555	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	590.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75923	0.7
52.60776	0.7
53.03939	0.9
55.01858	1.2
55.05511	0.9
65.03912	0.7
67.05501	5.8
69.03428	3.8
69.07069	6.7
70.06590	4.2
71.04996	8.8
71.24468	1.2
71.24808	1.2
72.08141	2.2
79.05487	6.0
81.03424	3.7
81.07068	7.7
83.04958	1.2
84.08129	1.8
85.02894	5.6
85.06540	1.1
86.09708	70.8
87.00818	3.4
87.04462	2.4
87.10004	0.7
88.07629	0.8
91.04907	1.2
91.05476	19.8
93.07043	6.3
95.04952	1.2
95.08598	2.6
97.02892	1.9
97.03970	0.7
97.06511	1.1
105.01885	0.9
105.07040	16.6
107.04944	1.4
107.08584	6.5
109.02876	2.5
109.06528	1.1
117.03363	1.0
117.07017	0.9
119.08580	12.0
121.06519	0.8
121.10158	3.6
123.08064	2.1
125.06018	1.4
127.03912	3.9
129.07004	3.2
129.10295	0.8
131.08557	4.9
132.10207	31.5
133.06522	4.9
133.10129	14.8
135.11697	1.2
137.05974	5.5
138.06332	0.9
145.02838	2.4
145.04919	1.1
145.10179	1.8
147.08055	9.1
147.11693	15.0
149.05972	0.9
149.09648	5.3
149.13210	1.8
151.07529	1.3
151.11185	2.7
157.10103	0.9
159.02881	1.4
163.03897	2.8
163.11182	1.7
173.09668	1.0
175.07632	1.1
175.09621	1.3
175.11180	19.0
177.05464	3.9
177.82458	0.8
187.29361	0.7
192.13824	1.1
193.12242	20.1
208.16875	1.7
248.20189	1.2
254.04868	1.1
254.17499	7.6
254.86911	0.9
260.20117	3.8
278.21179	6.4
294.20517	4.3
306.20670	12.4
324.21689	100.0
325.21744	1.0
342.22800	10.0
359.23215	1.3
359.73221	0.8
554.25885	1.2
572.26782	1.6
590.29083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
55.58199	0.2
56.05027	0.2
57.03442	0.4
61.02927	0.3
62.36949	0.2
63.02396	0.3
65.90210	0.2
67.31133	0.3
69.03448	1.2
70.06599	1.8
72.08160	8.7
73.02907	0.3
73.06540	0.3
80.67537	0.2
81.03428	0.7
84.04487	0.9
84.08159	1.3
85.02919	3.5
86.06088	0.2
86.09713	1.7
89.03911	2.7
90.09190	1.6
91.05475	0.5
95.04942	0.3
97.02903	1.2
98.97602	0.3
102.05553	0.6
103.05463	0.3
107.04970	0.3
109.02886	0.3
110.07175	0.4
117.03394	8.8
119.04936	0.5
120.08139	0.3
121.06522	0.3
123.04440	0.3
124.93609	0.3
127.03947	0.5
129.10252	0.9
131.04924	0.4
133.02878	0.3
134.03641	0.6
135.04436	1.2
136.07640	0.3
137.05994	1.6
144.06638	0.2
145.02849	40.4
146.03116	0.3
147.04530	0.3
149.05986	4.2
151.03943	0.3
152.07028	0.3
161.06013	0.5
163.03902	4.2
165.05522	0.3
166.41769	0.3
167.07063	0.3
177.05475	100.0
178.05833	0.5
179.07037	0.2
186.05472	0.6
203.07043	0.4
209.36382	0.3
213.07607	0.4
237.02806	0.3
266.13885	46.3
267.14203	0.4
327.12231	0.3
370.76038	0.3
428.19296	1.1
590.18390	0.4
590.28436	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	590.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
53.23043	4.2
55.05509	10.0
56.82209	4.0
57.07074	4.4
67.05508	19.0
69.03429	6.1
69.07062	30.6
69.16791	28.5
69.17199	8.0
70.06587	4.2
71.04999	21.7
71.81911	4.0
79.05506	27.5
81.03398	4.9
81.07061	100.0
81.96555	3.8
83.08606	10.4
84.10678	3.6
85.02906	7.2
87.00804	6.0
88.91185	4.6
91.05479	17.3
93.07058	63.3
95.04997	5.7
95.08617	52.8
97.02897	3.8
97.10167	3.8
98.20796	8.9
99.08104	8.4
101.02174	4.0
105.01876	7.5
105.07041	30.7
107.08607	75.8
109.02882	5.4
109.10168	69.1
117.14963	3.7
119.08587	37.0
121.06521	9.4
121.10152	47.3
123.11720	25.9
124.02474	4.4
127.03973	8.1
127.11207	47.4
131.08481	6.8
133.10136	32.9
135.11688	30.7
135.65019	4.0
137.13284	7.5
143.10696	7.8
145.10117	13.8
147.11694	28.0
149.13274	58.0
153.12759	14.3
159.11685	15.9
161.13280	15.2
163.14822	17.0
173.13260	14.6
175.14775	9.8
177.16325	6.8
187.14847	21.2
189.16412	11.4
191.17960	13.0
193.15973	10.3
201.16418	16.5
203.17947	48.5
207.17419	7.4
215.17981	6.8
219.17398	5.1
271.24228	24.4
289.25385	22.6
362.68274	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	590.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85696	1.6
58.01024	1.5
65.98782	1.9
69.16374	3.0
69.16771	15.5
70.06588	4.0
72.08166	4.8
84.08134	5.2
85.02925	3.5
86.09691	5.7
91.05482	7.8
95.15447	1.5
98.21528	4.1
98.97525	1.9
103.05449	10.7
105.06929	1.7
111.04404	2.0
119.04932	9.7
120.08068	1.7
121.06464	2.6
122.03664	3.2
125.05985	2.0
129.10237	2.4
131.04936	29.3
133.02849	4.9
135.04417	1.8
137.05983	100.0
145.02853	2.1
147.04388	16.1
149.05971	7.1
151.07545	2.5
159.04384	2.5
161.05997	27.2
162.06755	7.0
163.03877	2.3
163.07533	26.0
165.05496	5.1
172.05206	2.4
175.07535	10.3
177.05547	8.5
179.07050	6.8
179.08559	1.9
187.07535	2.1
191.07034	8.5
203.07057	31.7
221.06108	2.2
221.08101	32.5
233.08017	4.7
237.09079	2.5
245.69310	1.7
265.08429	2.0
267.10132	3.2
277.08575	2.9
285.11340	3.3
295.09598	2.2
297.11160	2.5
309.11188	6.1
315.12384	2.8
325.10699	3.5
327.12253	8.0
339.12469	1.9
343.12106	2.1
345.13452	23.6
355.21802	2.2
357.13501	8.9
499.63992	1.9
577.26343	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
53.50607	0.2
55.01873	0.7
57.03430	0.5
61.02929	0.4
62.01589	0.3
63.02382	0.6
68.99789	0.3
69.03432	3.1
69.13666	0.4
69.14075	1.6
70.06593	2.0
71.04987	0.4
72.08168	1.0
73.02918	0.5
81.03420	2.9
84.04508	0.5
84.08154	0.6
85.02907	6.2
86.09708	1.4
87.00822	1.6
89.03913	4.7
91.03946	0.3
91.05485	0.7
97.02887	1.9
99.04449	1.1
103.05459	0.3
105.01871	1.9
106.04151	0.4
109.02876	3.5
111.04433	0.3
115.04008	0.2
115.05466	2.1
116.07097	0.2
117.03380	15.3
117.07019	0.5
119.04961	0.3
120.08118	0.5
121.06505	0.3
123.04437	0.2
124.53891	0.2
127.03923	5.3
129.01816	0.3
134.03667	1.0
134.05998	0.2
135.04413	0.8
136.07573	0.3
137.05971	1.3
143.04924	1.6
144.05702	0.5
145.02846	46.2
145.04927	2.0
147.02885	0.4
147.04391	0.4
147.07954	0.2
148.92673	0.3
149.05988	5.4
151.03914	1.1
152.07248	0.3
157.06645	0.2
158.06064	0.3
159.02896	1.4
160.05209	3.3
161.05975	0.5
162.03143	1.4
163.03888	0.6
166.08641	1.0
175.06334	0.2
175.07550	9.4
177.05469	100.0
178.05768	0.3
186.05434	1.1
192.06554	0.5
206.08037	0.3
213.03970	0.3
218.08121	13.8
231.04919	1.7
249.46576	0.2
261.07669	0.4
278.91541	0.2
285.07590	0.5
328.15063	0.2
342.13361	23.4
345.15530	0.2
590.18988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72892	1.7
53.03942	4.4
55.05519	9.6
57.03427	5.6
65.03907	2.4
67.05513	14.1
69.03433	3.5
69.07056	3.9
69.52573	10.9
70.33492	1.7
71.01345	4.0
73.02902	3.5
79.05505	20.8
81.07066	26.1
81.76959	1.7
83.01300	2.1
83.04958	1.8
83.08616	3.0
85.02915	8.3
86.09693	1.9
91.05493	15.2
93.07047	27.3
95.04963	7.4
95.08613	31.1
97.06551	4.0
103.03939	2.3
105.03404	91.7
105.04488	3.7
105.07036	31.6
107.08595	41.8
109.06548	3.0
109.10158	6.5
113.02346	2.6
117.03317	1.8
117.07023	4.1
119.08590	36.4
121.06570	4.4
121.10153	44.2
123.04448	12.3
123.08067	14.3
125.09583	3.2
131.03432	2.3
131.08545	6.5
133.10135	30.5
135.08037	6.3
135.11710	33.1
137.09624	2.7
141.01811	2.9
142.07767	2.3
143.07047	2.2
143.08569	3.2
144.09277	2.7
145.02837	3.3
145.10139	6.4
147.08044	3.5
147.11707	13.8
153.05482	2.0
157.10120	4.7
159.11743	17.6
161.09634	7.3
161.13275	24.1
171.11694	3.2
173.13289	2.9
175.11209	3.9
175.14832	4.1
177.05505	3.7
179.07045	100.0
189.12827	3.0
189.16391	44.6
197.08130	2.6
199.14828	6.8
201.16370	2.2
217.15912	29.7
223.17694	1.8
235.16847	2.9
291.19626	12.5
355.10162	8.6
393.19171	3.5
432.49725	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.6
58.06615	0.4
59.62911	0.2
60.08166	5.8
62.06068	0.2
62.60758	0.2
67.05477	0.2
70.06577	0.2
70.48617	0.5
70.98131	0.2
71.07373	3.3
75.86359	0.2
86.09710	29.1
91.05482	0.2
93.07078	0.2
98.98470	3.0
104.10746	2.7
107.08594	0.2
121.70566	0.2
123.07993	0.2
125.00008	19.7
130.11507	0.2
133.10136	0.2
142.42924	0.2
184.07346	100.0
258.10980	0.3
504.93442	0.2
570.35553	1.0
588.36639	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
57.03431	1.0
60.87373	0.4
61.02916	0.7
69.03442	2.4
69.31170	2.4
69.31582	0.8
70.06571	1.1
71.04978	0.4
72.58384	0.4
81.03413	3.1
81.07034	0.7
85.02906	4.3
86.09689	0.7
90.38857	0.4
93.07008	0.5
97.02876	2.3
107.08584	0.7
109.02857	1.6
117.03350	0.7
119.08566	0.7
121.06523	0.4
121.10136	0.5
125.85214	0.4
127.03893	0.7
145.02849	1.7
146.03160	0.4
147.19319	0.4
153.06970	1.7
161.06007	0.5
163.03929	0.4
165.07014	1.6
176.60559	0.4
177.05472	3.1
178.05800	0.6
181.06503	0.7
193.06514	0.4
209.05983	6.4
221.93466	0.5
237.05444	3.9
250.47980	0.5
252.04311	0.5
253.04762	0.6
255.06552	0.6
265.04962	27.3
268.82684	0.4
280.03564	2.1
283.06027	0.7
287.06982	0.6
292.03497	0.9
293.04614	0.7
295.06015	100.0
296.06250	0.6
302.05685	1.4
303.07095	0.4
304.03851	0.5
304.07330	0.7
305.04410	0.8
305.07980	0.9
306.05078	0.7
307.05988	1.9
309.04306	0.7
309.07605	1.0
317.08154	1.2
318.05219	0.7
319.06042	1.5
320.06860	1.7
321.07568	1.6
325.07309	0.6
330.05307	1.4
333.07779	0.7
335.09119	8.2
345.07578	2.3
358.04752	2.0
361.07108	10.9
363.08652	1.3
373.07080	14.8
379.08127	35.0
391.08148	19.3
409.09192	14.2
427.04349	0.4
427.10254	8.8
589.31958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.6
70.06593	1.2
70.76164	0.9
72.08154	0.5
81.07074	0.5
84.08141	0.7
86.09695	0.7
89.95499	0.3
93.07050	0.4
98.97609	0.3
100.39784	0.3
105.07069	0.5
109.10172	0.5
119.04982	0.4
120.08102	0.5
126.77574	0.3
137.05981	0.4
145.02866	0.5
149.05962	0.4
150.69214	0.3
167.07069	1.0
168.07318	0.3
177.05533	1.1
179.14285	0.3
201.03679	1.4
203.05305	1.9
207.06528	0.4
210.42578	0.3
222.20702	0.3
326.66266	0.3
405.22443	5.5
407.24057	15.7
567.28534	0.4
585.28839	100.0
585.90430	0.8
586.29108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01876	1.8
61.02917	0.3
65.03926	1.4
67.05479	0.4
69.03425	0.8
70.06603	3.3
70.28166	1.2
72.08154	1.8
72.15260	0.4
75.04479	3.7
75.62163	0.4
77.03899	0.5
77.11864	0.3
78.04703	1.6
79.05498	1.8
81.03413	0.8
81.07043	0.5
84.04498	0.5
84.08123	1.1
85.02908	4.1
86.09697	2.3
89.03922	0.9
89.06033	1.1
91.05486	9.9
93.03410	9.6
93.07057	4.2
95.04964	2.7
97.02880	0.7
97.06530	1.5
98.97614	0.5
103.05463	6.1
105.03394	0.7
105.04514	1.1
105.07037	3.9
106.04181	20.2
107.04953	1.3
109.06528	0.9
110.06010	0.4
110.07214	0.5
111.04506	0.6
115.05470	0.9
116.07098	0.4
117.03386	1.8
118.04160	0.7
119.04945	1.6
119.08627	0.4
120.08095	1.0
121.06513	24.5
122.03657	0.4
123.04432	1.1
123.08066	0.7
125.06001	5.9
127.03925	0.7
129.10243	0.4
131.04944	2.1
133.02853	3.8
133.06487	3.6
134.03632	3.1
135.04420	1.0
137.05034	0.5
137.05984	5.6
138.06781	1.0
139.07539	2.0
145.02866	2.5
145.04935	0.5
147.04378	1.9
148.05206	2.1
149.05991	41.6
151.07550	2.5
152.08289	0.5
153.05478	1.8
153.07927	0.7
153.09113	11.5
161.05991	7.9
163.03940	0.7
163.07539	3.0
165.05505	1.6
166.06224	1.3
167.07063	1.3
175.07561	0.4
177.05475	21.4
177.08990	0.7
179.07118	1.9
181.08609	18.9
191.07039	12.0
192.06264	0.4
193.08632	7.0
201.05429	0.5
209.08099	100.0
210.08459	0.6
215.13968	0.3
218.08127	0.5
231.09805	0.5
277.08667	0.4
279.17422	0.4
339.12335	0.6
341.13818	0.9
357.13312	0.7
359.14603	0.4
543.44037	0.4
570.32532	0.5
586.19757	0.7
586.38104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73075	1.6
52.27518	1.7
53.03934	2.7
55.05520	8.3
57.07064	11.4
59.05013	2.0
65.03938	1.8
67.05511	10.5
69.03416	6.1
69.07072	10.6
69.76424	8.7
71.04998	1.7
71.08620	2.5
78.21283	1.5
79.05492	17.9
81.07069	21.0
83.04977	4.9
83.08610	4.7
85.06538	4.2
89.06039	10.4
91.05496	21.9
93.07051	37.5
95.04964	5.3
95.08612	21.1
97.06547	3.0
97.10168	3.0
103.05441	2.3
104.52031	1.9
105.07045	43.1
107.04993	2.3
107.08598	28.0
109.06528	5.6
109.10152	11.7
111.08087	2.2
115.05453	3.0
117.07012	13.4
119.04964	2.1
119.08588	59.9
120.09372	4.2
121.06527	4.4
121.10165	17.8
123.08090	9.4
123.11710	3.4
125.05974	1.9
128.06190	6.0
129.07014	11.5
130.07817	4.1
131.08572	33.1
132.09291	2.7
133.08563	5.3
133.10141	29.0
134.10535	3.2
135.08084	9.9
135.11696	10.5
137.09630	11.1
139.11215	1.8
141.06995	4.9
142.07771	11.0
143.08577	26.0
144.09300	6.3
145.10127	42.0
146.10687	2.3
147.08038	14.2
147.11661	10.0
149.09602	5.9
149.13225	2.4
151.07552	7.1
151.11246	2.4
153.06979	2.1
155.08565	7.8
156.09354	10.0
157.10147	39.7
158.10834	7.0
159.08049	4.7
159.11687	19.8
159.76534	1.7
160.08731	2.1
161.09573	5.4
161.13239	4.8
163.11137	9.0
163.14876	2.0
165.06998	3.4
165.09114	25.3
167.08589	6.6
168.09332	4.2
169.10138	13.7
170.10861	6.9
171.08168	2.2
171.11693	20.5
172.12418	4.8
173.09573	4.3
173.13258	12.8
175.11227	9.7
175.14876	8.8
177.12805	3.7
179.08575	4.9
180.09354	2.9
181.10136	10.4
181.12215	5.6
182.10890	7.3
183.11684	15.9
184.12430	2.5
185.09605	3.5
185.13258	12.6
187.11177	2.8
187.14799	6.3
189.12759	6.0
190.13547	5.1
191.10677	3.2
191.14241	4.1
193.10097	6.3
193.12204	6.1
194.10905	4.3
195.11725	12.6
195.13347	2.4
196.08789	2.3
196.12410	4.9
197.13313	15.2
198.14043	3.5
199.11226	5.1
199.14821	4.5
201.12772	4.3
201.16336	2.1
203.14316	12.2
204.14674	1.6
206.10889	3.0
207.11705	5.3
207.13811	5.8
208.12653	1.7
208.14586	5.5
209.13350	9.8
209.15092	2.4
210.13939	3.6
211.11090	3.2
211.14728	8.3
213.12807	2.7
217.15674	2.0
219.13728	2.8
220.12515	2.6
221.13319	5.7
221.15376	47.8
222.13847	2.1
222.15752	5.3
223.11182	3.6
223.14787	9.9
224.15536	2.1
225.12688	2.4
225.16383	4.6
231.11543	2.0
233.13313	3.5
234.10323	1.7
234.16164	7.6
235.14818	5.1
236.15395	2.2
237.12868	3.3
237.16333	6.5
239.17812	2.9
247.14743	2.7
247.17017	8.0
249.16425	3.1
251.14105	2.0
261.16296	4.1
271.20651	2.1
274.19342	2.8
281.18799	3.1
286.19397	2.6
299.20062	8.7
309.18509	2.2
311.29327	2.9
312.21005	2.9
325.21765	9.6
337.21515	5.7
352.23993	58.6
365.24631	9.9
371.22760	7.0
376.27515	2.4
378.25150	2.6
391.26315	2.3
398.28021	4.7
404.30600	6.8
411.29007	2.6
412.29782	12.6
425.30289	3.1
438.31326	11.6
440.10995	1.8
464.33075	2.1
474.34384	2.5
489.33542	4.3
491.34976	8.6
492.35693	5.1
504.36014	100.0
505.36441	2.8
584.42224	21.8
584.56396	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	3.2
63.15843	1.3
70.06611	7.9
71.08617	1.3
71.51337	1.9
84.77487	1.3
88.07642	9.4
92.98718	1.3
95.08567	2.0
106.08650	4.5
107.08575	1.8
131.04951	1.7
155.48796	1.7
164.07260	1.3
167.07112	2.0
174.32568	1.8
238.71875	1.8
256.26306	5.3
274.27414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28717	2.5
55.05499	6.6
55.51900	2.3
57.07082	18.1
59.04998	2.9
64.99992	2.3
65.15131	2.4
65.82202	2.1
67.05505	14.1
69.03419	4.6
69.07053	8.2
71.08630	4.0
71.53583	3.1
73.90638	2.0
76.27910	2.1
79.05504	16.4
81.07067	24.6
83.04980	5.1
83.08606	3.8
85.06541	4.4
89.06033	14.9
90.05377	2.1
91.05487	25.2
92.49542	2.2
92.65308	2.0
93.07043	26.8
95.04964	7.0
95.08614	24.1
97.06520	3.9
100.40499	2.1
101.17340	2.5
103.05453	3.7
105.07034	48.4
107.08603	26.9
109.06506	7.9
109.10165	12.8
111.08099	3.2
117.07023	12.2
119.08590	64.7
121.06485	6.3
121.10154	19.4
123.08042	6.9
123.11732	4.0
128.06235	5.8
129.07005	8.0
130.07780	4.7
131.08589	27.3
133.08572	8.5
133.10132	23.6
135.08054	9.6
135.11667	9.7
137.09593	6.4
141.06958	4.5
142.07755	11.9
143.08569	24.4
144.09306	9.0
145.10132	42.7
147.08038	9.3
147.11700	10.2
149.09619	8.8
149.13213	3.0
151.07530	4.9
155.08543	10.8
156.09360	11.1
157.10139	38.7
158.10846	6.1
159.08066	5.0
159.11705	25.8
161.09616	6.3
161.13235	5.2
163.11166	4.4
165.09096	25.1
167.08542	4.6
168.09349	6.1
169.10124	15.8
170.10890	5.5
171.11673	18.5
172.12445	6.2
173.09587	4.8
173.13260	10.5
175.11223	10.3
175.14876	12.1
177.11220	5.4
177.12605	3.2
179.08598	5.3
180.09323	2.7
181.10103	9.4
181.12234	7.3
182.10913	3.9
183.11710	17.1
184.12444	2.5
185.13174	13.4
187.14787	5.1
189.12842	4.1
190.13512	4.0
191.10614	3.0
191.14244	4.5
193.10135	6.0
193.12242	7.2
194.10858	5.9
195.11746	14.2
196.12521	3.7
197.09537	2.5
197.13290	16.0
198.10487	2.2
198.14023	3.1
199.11209	4.6
199.14816	5.1
201.12741	2.5
201.16319	3.6
203.14301	11.9
206.10838	3.5
207.11681	7.1
207.13712	5.0
208.12608	2.8
208.14551	4.9
209.13217	10.9
210.10454	2.4
210.14021	3.6
211.14859	8.8
213.16367	3.4
215.14230	3.3
221.13229	6.3
221.15335	50.6
222.15741	3.8
223.14896	10.5
225.12698	3.9
225.16229	3.7
234.16127	7.4
235.14674	5.4
237.16331	4.4
239.17984	2.9
247.16920	7.4
256.26154	2.7
259.17026	2.6
263.17981	3.4
271.16919	3.1
271.20718	2.9
281.18964	3.4
283.26492	4.0
286.19449	3.2
287.19974	3.3
291.21033	2.7
295.16861	2.5
299.19983	8.9
300.20996	2.4
300.28976	4.7
311.29346	7.8
319.20853	2.8
325.21606	8.1
337.21533	6.3
352.23984	60.4
365.24725	14.8
371.22760	8.8
378.25330	2.7
391.26181	2.4
398.28040	3.2
404.30728	5.5
412.29712	17.4
438.31390	15.1
491.35284	11.6
492.35172	4.5
504.36035	100.0
566.41272	3.0
569.39612	3.0
584.42261	31.2
584.56372	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32315	0.8
53.03942	2.0
55.01880	1.0
55.05511	5.0
57.07081	6.4
59.04992	2.6
64.01614	0.8
65.03937	1.9
67.05506	10.6
69.03427	7.8
69.07064	4.1
71.52116	1.1
71.52518	1.4
79.05147	0.9
79.05504	11.5
81.07056	14.4
83.04992	2.4
83.08624	2.1
85.06546	2.3
89.06049	1.0
91.05486	18.4
93.07044	26.4
95.04965	3.4
95.08614	14.6
96.19331	0.8
97.06541	1.8
103.05466	2.8
105.06313	1.6
105.07033	29.9
107.04945	1.6
107.08593	18.6
109.06532	4.2
109.10165	9.7
111.08070	3.6
115.05418	1.6
117.07035	7.9
119.06102	0.9
119.08586	32.6
121.06512	5.0
121.10151	16.2
122.07292	1.3
123.08076	11.4
123.11701	1.9
125.05985	1.2
128.06226	3.7
129.07016	5.6
130.07806	3.0
131.08560	11.8
131.25955	0.9
133.06458	1.2
133.10144	17.2
135.08080	8.5
135.11707	10.2
137.09613	15.1
139.07608	1.2
140.79295	0.8
141.07010	2.2
142.07764	8.4
143.08559	10.8
144.09343	2.2
145.10132	22.3
147.06947	1.7
147.08047	20.9
147.11713	7.0
149.09605	2.6
151.07538	6.7
151.11159	1.1
153.06976	1.4
154.07784	1.5
155.08594	4.8
156.09329	5.3
157.10139	15.6
158.10880	1.3
159.08061	1.5
159.11700	10.9
161.09651	4.2
161.13271	6.5
163.11169	3.5
165.06985	2.2
165.09120	39.4
166.07805	1.3
167.08569	2.5
168.09343	1.3
169.10130	6.5
170.10931	3.0
171.11687	8.8
173.09682	2.2
173.13245	7.3
175.14839	5.5
178.07780	1.1
179.08563	4.0
179.14217	1.0
180.09293	1.1
181.10141	4.4
181.12193	2.8
182.10887	2.4
183.11678	6.6
184.12444	1.4
184.35826	0.9
185.13297	4.7
187.11250	1.3
187.14801	6.6
189.12727	3.3
191.14296	1.6
193.10147	3.4
194.10974	2.8
195.11716	5.6
195.13438	1.1
196.12482	1.2
197.13274	4.5
199.14861	2.3
201.12703	1.6
201.16353	1.3
203.14351	14.4
205.10100	0.9
207.11694	4.0
207.13792	3.5
208.12502	1.4
209.06583	0.9
209.13264	5.4
209.15225	2.0
211.11154	1.1
211.14845	4.1
213.16263	1.3
215.14279	1.0
220.12363	1.4
221.13542	3.9
221.15370	100.0
223.14758	3.7
225.12703	1.3
225.16385	1.6
227.14301	1.1
233.13139	1.0
235.14798	3.9
237.16495	2.0
245.13339	1.2
247.14651	1.2
247.16972	1.3
249.16322	1.7
265.19540	1.4
277.19376	1.1
283.20697	1.2
299.20010	2.6
313.21786	1.2
352.24094	2.0
357.25537	1.2
365.24600	2.0
378.25320	1.3
391.26401	1.0
397.27686	1.0
411.28748	1.7
437.30243	1.3
473.34204	6.2
491.35239	7.2
503.35242	5.5
565.40424	6.6
583.41431	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4152
Annotation	Diadinochrome
Peak:m/z	Relative Intensity
53.03934	2.3
55.05522	8.3
55.71742	1.0
57.02284	0.8
57.07076	4.4
57.92178	1.0
59.04997	1.9
65.03938	1.3
67.05511	15.3
67.05850	1.8
69.03429	3.2
69.07082	10.1
69.47979	1.8
69.48398	4.1
71.05012	1.2
79.05499	14.6
81.07059	22.2
83.04983	4.1
83.08617	5.2
85.06548	3.5
91.05489	27.1
92.48833	1.0
93.07051	32.6
93.07640	1.8
95.04973	5.4
95.08613	21.4
95.09186	2.0
97.06544	6.0
97.10184	2.0
103.05510	2.6
105.04523	1.1
105.07043	37.9
106.07890	1.1
107.08604	28.8
109.06548	5.4
109.10162	16.1
111.08103	1.8
115.05475	2.8
116.06210	1.2
117.07028	8.3
119.08595	44.3
121.06510	2.5
121.10158	33.0
123.08078	10.2
123.11717	4.5
125.06018	1.8
125.09647	2.8
128.06219	6.2
129.07021	8.1
130.07800	4.1
131.08575	18.1
133.06497	1.1
133.10139	25.0
135.08109	5.1
135.11697	10.6
137.09618	5.6
139.07574	1.1
139.11197	2.8
141.07008	4.6
142.07782	12.5
142.55528	1.3
143.08569	22.9
144.09328	4.1
145.10141	28.5
147.08078	6.0
147.11688	11.1
149.09618	5.1
149.13322	2.9
151.07574	10.3
153.07051	2.8
154.07881	1.4
155.06070	1.0
155.08554	9.4
155.10641	1.6
156.09355	9.6
157.10147	32.3
158.10956	4.5
159.08073	3.2
159.11691	16.4
160.08945	1.1
161.09663	4.7
161.13281	4.3
163.11221	3.5
165.07045	4.6
165.09128	14.2
166.07808	2.1
167.08609	6.3
167.10704	19.4
168.09312	4.7
169.10153	13.3
170.10895	5.6
171.11713	18.9
172.12405	1.4
173.09680	2.4
173.13268	13.6
175.11232	4.0
175.14809	5.7
177.09183	0.9
177.12740	1.3
178.07878	1.0
179.08612	8.4
180.09328	3.1
181.10172	12.1
181.12036	4.7
182.10916	4.5
183.11713	18.7
183.13255	1.5
184.12495	2.1
185.09634	2.0
185.13283	10.9
187.11281	2.4
187.14833	5.5
189.12779	4.1
191.08591	1.2
191.14348	4.7
192.09406	2.8
193.10127	9.8
194.10947	6.2
195.11737	13.9
196.12483	3.8
197.13258	12.7
199.11172	1.1
199.14845	10.5
201.16418	3.1
203.08543	1.2
203.14374	7.0
205.10233	2.8
205.16054	1.4
206.10953	4.0
207.11763	12.0
207.13869	5.7
208.12508	4.4
209.13306	18.3
209.15317	1.6
210.14153	2.4
211.14836	8.5
213.16414	2.9
215.14357	2.8
217.10240	2.3
217.15898	5.6
218.10876	1.7
219.11774	4.5
219.17482	2.0
220.12531	3.1
221.13295	10.8
221.15439	25.8
222.14070	3.0
223.14824	10.9
225.12889	1.5
225.16429	5.0
229.10291	1.3
229.15764	2.0
230.10971	2.1
231.11665	2.9
231.17354	1.2
232.12578	2.3
233.13312	5.6
233.15466	6.9
234.14030	2.6
235.14839	8.9
235.89439	1.0
236.15604	2.0
237.16447	4.2
239.14368	1.3
239.18001	3.2
241.15768	1.1
241.19560	1.1
243.17561	1.2
245.13454	4.6
246.14030	2.8
247.14819	6.3
248.15611	2.1
249.16438	5.3
251.17957	5.6
253.15857	2.2
253.19562	1.9
255.17499	1.1
257.13309	3.2
257.19000	5.9
258.14169	2.7
259.14746	4.6
260.15701	2.2
261.16434	6.5
262.17395	1.3
263.18045	5.1
265.19620	3.9
265.25192	1.3
267.17380	1.3
267.66229	1.2
269.19092	3.6
271.14954	2.6
271.20688	1.3
273.16321	3.1
275.17938	6.7
276.18887	1.3
277.16177	0.9
277.19592	3.1
279.21100	1.5
281.13919	1.1
281.19086	2.6
283.20584	8.6
287.17728	2.0
287.20404	1.7
289.19598	3.4
290.20230	1.3
291.21283	2.2
293.19055	1.1
295.20496	3.2
297.22043	1.7
303.21152	1.1
307.20624	1.6
309.22003	1.6
315.20966	1.2
329.22763	1.9
331.24338	4.0
335.23822	2.2
343.24170	1.8
345.22275	1.1
347.23911	2.6
349.25391	3.8
357.26019	1.4
359.23749	1.5
361.25595	2.0
373.25214	1.4
375.26877	3.0
385.28641	1.3
395.27136	1.0
403.29935	3.6
413.28259	1.1
427.29861	1.0
443.29910	1.1
445.30377	1.0
491.35138	4.0
498.36453	1.2
503.35135	2.0
509.33981	1.4
547.39301	4.6
565.40454	21.0
583.41510	100.0
584.42438	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14949	1.5
53.03935	3.6
55.05511	11.9
57.07082	7.4
65.03943	2.1
67.05512	21.6
69.03430	6.1
69.07075	14.9
69.86012	7.2
79.05494	18.9
81.03433	2.0
81.07067	27.2
83.04989	7.1
83.08620	5.8
85.06539	5.0
91.05484	32.8
91.06019	2.3
93.06480	2.9
93.07050	41.5
95.04977	5.1
95.08611	31.4
97.06525	5.0
97.10185	1.7
98.20732	1.4
103.05476	3.2
104.43624	1.4
105.04542	1.5
105.07034	54.7
107.08595	37.0
109.06519	7.7
109.10158	16.5
110.66549	1.6
111.08102	2.5
115.05452	4.0
117.07011	11.3
119.08591	57.3
120.20316	1.4
121.06504	5.2
121.10148	39.6
123.08067	14.5
123.11713	3.4
125.09661	1.8
128.06252	9.8
129.07005	13.7
130.07748	7.2
131.08577	23.8
133.06467	2.1
133.10127	26.9
133.91142	1.5
135.08052	6.4
135.11711	11.3
137.09599	10.3
139.11220	2.7
141.07010	5.9
142.07771	15.9
143.08563	29.0
144.09331	4.3
145.10127	35.1
147.08047	14.2
147.11684	12.0
149.09653	5.8
149.13266	3.6
151.07538	14.2
151.11198	1.6
153.06963	3.9
154.07806	3.9
155.08554	12.2
156.09352	16.8
157.10144	40.1
158.10931	5.5
159.08105	2.9
159.11705	19.1
161.09671	3.1
161.13298	5.9
163.11250	7.0
165.07010	5.4
165.09114	30.1
166.07816	4.0
167.08611	9.0
167.10725	8.9
168.09404	5.7
169.10117	21.9
170.10938	5.3
171.11694	24.8
173.13271	15.3
175.11159	2.6
175.14886	5.2
178.07838	2.0
179.04033	1.6
179.08540	13.4
180.09389	5.2
181.10133	13.1
181.12238	5.2
182.10966	6.7
183.11717	20.7
183.13202	1.9
184.12477	5.6
185.09613	2.1
185.13237	13.5
187.11307	1.9
187.14874	3.5
189.12831	5.6
191.14342	5.8
192.09427	4.5
193.10182	11.7
194.10953	10.2
195.11702	17.8
196.12479	3.9
197.13278	17.0
199.11353	2.9
199.14830	14.0
200.15570	1.6
201.12859	2.0
201.16481	1.8
203.08675	1.8
203.14267	11.9
205.10168	3.0
205.16127	2.0
206.10979	6.8
207.11725	14.5
207.13849	6.1
208.12534	5.4
209.13303	22.5
209.15276	1.5
210.14040	2.4
211.14792	8.4
213.16406	3.4
215.14427	2.3
217.10214	2.6
217.15886	7.4
218.11006	2.1
219.11725	6.5
220.12514	5.3
221.13281	16.6
221.15425	56.4
222.14130	3.7
223.14813	10.2
224.15633	2.8
225.12720	1.8
225.16406	4.9
227.14278	2.3
230.10823	2.6
231.11736	4.6
231.17517	2.2
232.12436	3.3
233.13275	9.5
233.15459	3.7
234.14023	3.5
235.14842	9.4
236.15651	2.4
237.16412	5.1
239.17918	4.5
241.16208	1.6
243.11671	1.7
245.13356	5.9
246.14088	3.3
247.14738	8.7
247.17093	1.7
247.24310	1.6
248.15623	2.3
249.16423	4.6
250.17006	2.0
251.18034	4.9
257.19016	6.3
259.14850	6.2
260.15594	3.1
261.16476	6.2
262.17102	2.4
263.17960	5.2
265.19556	6.3
265.25220	4.4
269.19000	3.6
271.14755	1.9
273.16422	6.2
275.17831	9.8
277.19583	5.3
281.18906	1.9
282.14008	1.8
283.20612	14.7
287.20270	3.2
289.19543	3.9
291.21063	2.2
291.42764	1.8
293.19034	1.9
295.20779	4.4
297.22177	3.5
301.19254	2.0
303.21085	2.4
321.22351	2.3
331.24213	3.9
339.28934	4.2
349.25296	7.8
361.25369	2.1
365.24683	2.2
375.26871	6.5
403.30084	5.5
427.30051	1.6
437.30768	1.9
454.13080	1.5
491.35114	5.4
503.35425	4.3
509.34424	3.1
547.39917	2.7
565.40399	25.6
583.41492	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01883	1.5
55.05510	4.2
56.95781	1.3
56.99264	1.3
57.07074	5.9
59.04998	2.5
67.05509	13.5
69.03422	6.4
69.07082	6.8
71.52353	2.7
73.06349	1.0
79.05489	9.7
81.07056	16.7
83.04999	1.9
83.08620	2.0
85.06557	2.3
89.34904	1.3
91.05482	17.5
93.07047	25.5
93.63539	1.4
95.04967	4.2
95.08609	17.9
97.06567	2.5
97.08466	1.3
99.04491	1.3
100.19397	1.3
103.05453	1.3
105.07044	27.6
105.07703	2.4
107.08590	16.1
109.06511	4.8
109.10169	10.5
111.08110	4.5
112.88586	1.1
116.06242	1.9
117.07065	7.0
119.08588	36.5
121.06497	4.4
121.10143	19.2
123.08069	11.0
123.11657	2.4
125.06013	1.9
128.06256	4.7
128.86026	1.2
129.07043	6.1
130.07800	2.5
131.08572	13.1
133.06528	2.6
133.10129	18.1
135.08063	9.2
135.11673	11.0
137.09621	14.9
139.07458	1.6
141.06958	2.2
142.07794	6.2
143.08560	12.0
144.09355	2.8
145.10135	23.9
147.08047	20.4
147.11656	6.1
149.09645	2.7
151.07552	9.0
154.58757	1.3
155.08598	4.1
156.09358	4.5
157.10141	19.6
158.10959	2.0
159.08136	1.6
159.11700	11.2
161.09653	4.0
161.13284	4.9
163.11224	4.3
165.07014	3.0
165.09122	42.8
167.08612	3.0
168.09364	2.3
169.10143	7.7
170.10909	1.8
171.11662	12.3
173.09619	1.6
173.13252	6.4
175.11176	2.5
175.14876	5.6
179.08578	4.2
181.10194	3.6
181.12216	3.3
182.10916	1.9
183.11713	8.2
185.13257	8.6
187.11211	1.3
187.14854	5.8
189.12775	3.4
191.14394	1.6
193.10159	2.5
194.10983	2.8
195.11659	6.8
196.12439	2.4
197.11700	1.4
197.13287	4.9
199.14868	2.3
203.14357	17.9
207.11832	2.9
207.13794	4.2
209.13217	5.4
211.14790	2.9
213.16481	2.1
219.11827	2.0
221.15370	100.0
223.14772	2.9
235.14850	3.4
237.16394	2.1
247.14767	1.4
265.19534	1.8
299.20059	1.8
331.20581	1.3
343.24060	2.0
365.24585	1.9
375.26599	2.1
377.24802	1.4
390.32614	1.3
402.10461	1.3
411.28745	1.7
423.91675	1.5
437.30396	2.0
473.34262	6.7
491.35333	9.3
503.35077	4.4
565.40057	6.3
583.41510	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
55.05287	2.5
55.05512	19.3
57.07066	13.9
59.05012	3.6
65.03939	4.2
67.05175	3.4
67.05508	33.3
67.60899	2.0
69.03433	9.1
69.07072	20.9
71.37821	3.1
79.05495	29.0
81.07062	36.0
81.49583	2.2
83.04984	7.8
83.08632	10.4
85.06557	7.8
91.05477	45.6
93.07044	57.7
95.04969	8.4
95.08612	37.0
97.06544	6.2
97.10168	2.8
103.05497	3.3
105.07037	78.9
107.08598	50.8
109.06524	9.0
109.10169	23.7
111.08051	3.7
114.33637	2.2
115.05457	8.0
116.06258	3.0
117.07012	24.0
119.08586	86.9
121.06529	6.2
121.10148	47.0
123.08071	14.2
123.11707	7.1
125.05992	4.3
128.06201	13.0
129.06982	22.8
130.07803	6.3
131.08594	34.3
133.06497	2.8
133.10144	42.0
135.08084	8.8
135.11707	16.6
137.09645	15.4
139.11182	2.4
141.07022	8.2
142.07767	27.5
143.08557	49.1
144.09378	9.2
145.06514	2.5
145.10129	61.5
147.08043	16.5
147.11702	17.0
149.09648	8.6
149.13287	4.7
151.07536	12.1
151.11133	2.7
153.07062	4.6
155.08560	21.0
155.10623	2.6
156.09348	22.7
157.10139	62.5
158.10960	8.1
159.08110	3.5
159.11699	26.9
160.15201	2.0
161.09630	5.7
161.13298	9.4
163.11214	8.4
165.06972	7.1
165.09122	32.0
165.55966	2.1
166.07726	4.1
167.08580	14.3
167.10669	12.7
168.09352	8.9
169.10110	26.2
170.10936	9.5
171.11685	32.0
173.09645	5.3
173.13268	23.9
175.11284	5.3
175.14848	10.8
179.08551	21.4
180.09357	7.2
181.10143	18.1
181.12273	8.1
182.10934	8.7
183.11696	32.1
184.12498	8.0
185.09651	2.5
185.13286	21.0
187.11348	3.1
187.14813	6.7
189.12790	6.5
191.08604	2.6
191.14233	11.7
192.09280	4.8
193.10138	18.7
194.10945	13.6
195.11668	26.1
196.12486	7.5
197.13269	21.4
199.11238	3.9
199.14851	19.0
201.16464	3.3
203.14331	13.5
205.10162	7.7
205.15935	3.2
206.10924	7.0
207.11765	21.7
207.13855	6.1
208.12508	7.9
209.13281	34.3
210.14017	6.2
211.14845	14.4
213.12891	2.3
213.16484	4.1
215.14391	2.7
217.10088	4.2
217.15952	13.0
218.10866	4.6
219.11723	9.9
220.12511	3.8
221.13303	17.9
221.15430	61.7
222.13983	4.0
223.14836	15.1
225.12845	2.4
225.16444	8.3
229.09953	2.6
230.11044	3.6
231.11708	8.9
232.12511	3.3
233.13287	13.5
233.15407	5.4
234.14076	4.0
235.14804	13.8
236.15578	3.5
237.16489	9.0
239.17920	5.2
243.11812	3.2
245.13327	9.0
246.14142	5.3
247.14850	14.1
247.17136	4.0
248.15709	5.1
249.16400	13.0
251.18047	7.5
253.15875	2.3
253.19716	2.4
255.11722	2.1
257.13300	5.6
257.19031	12.7
258.14160	3.2
259.14883	8.6
260.15671	4.9
261.16354	11.4
263.18039	9.9
265.19601	9.4
265.25418	2.5
269.19025	5.3
271.14801	4.0
273.16440	5.2
274.17325	3.3
275.17935	12.9
277.19708	4.8
279.21112	2.9
283.20572	19.6
285.16275	2.8
287.17654	3.5
289.19540	5.3
295.20514	3.5
297.22391	3.8
300.21240	2.3
303.21228	3.4
307.20981	2.6
309.22250	3.5
331.24271	7.0
335.23633	3.6
347.23627	3.2
349.25354	9.7
357.25931	3.5
361.25037	2.4
375.26758	3.8
403.29865	6.1
473.33588	2.9
474.94339	2.3
491.35287	7.7
503.35278	5.0
565.40466	22.1
583.41492	100.0
601.51898	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	1.0
69.34543	6.4
71.44919	0.8
73.86476	1.0
95.08637	0.9
98.21493	1.7
133.10121	0.9
142.52475	0.7
187.23885	0.8
187.73276	0.8
197.10860	1.3
204.10150	1.6
216.10265	2.6
217.11011	0.8
223.12425	1.2
225.10300	0.8
230.11792	3.7
236.11853	1.1
245.10507	1.9
248.77225	0.9
251.11795	3.1
252.14977	1.2
258.11270	2.3
265.12161	1.2
276.12567	0.9
278.12778	1.0
280.14444	5.6
284.11432	0.9
296.14087	0.9
301.11981	1.5
304.11786	9.0
306.16058	2.6
307.16846	1.0
319.12872	2.6
326.12921	1.1
328.14572	1.6
340.14447	1.2
342.16098	2.4
343.12827	2.2
343.16711	1.5
344.17490	1.1
356.17651	3.7
367.45627	0.8
373.14423	1.2
374.14880	3.9
386.14758	1.1
387.15683	2.0
402.18103	7.3
404.17856	0.8
421.21320	1.1
435.17862	0.9
436.19104	1.3
449.19107	0.8
450.20038	1.0
481.22220	1.4
506.20880	1.2
509.21786	1.5
553.20593	1.2
568.23187	2.7
583.25494	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2179
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
50.45071	0.4
53.03944	0.6
55.01857	0.7
55.79248	0.3
57.42513	0.3
62.28896	0.3
65.03933	1.6
66.04720	0.9
67.05501	0.7
69.03426	0.6
70.06602	2.7
71.52178	0.4
72.08155	1.9
78.04704	0.9
79.05496	2.7
81.03409	1.4
81.07051	1.2
84.08136	0.8
85.02914	1.3
86.09697	1.8
91.05487	6.3
92.05789	0.4
93.07043	0.7
94.04181	2.8
95.04969	0.9
97.02901	0.4
103.05486	1.1
105.03391	0.7
105.07040	4.1
106.04148	0.5
107.04953	4.6
108.05284	0.6
109.06519	0.4
109.10128	0.3
110.03647	0.5
110.07133	0.4
110.62669	0.3
111.04459	0.4
115.05464	4.7
115.23791	0.3
117.03391	0.6
117.07039	2.9
118.04166	0.4
119.04963	1.6
119.08573	1.0
120.08112	1.8
121.06527	0.8
121.10112	0.4
122.03663	7.5
123.04437	1.3
124.05214	0.8
125.05951	0.6
129.07050	0.4
129.10194	0.7
131.04930	1.5
132.05721	0.5
133.02863	0.9
133.06461	1.5
137.05983	100.0
143.04936	6.8
144.05684	0.8
145.02870	0.6
145.06505	3.9
147.04422	0.9
147.08070	1.1
149.06009	0.5
151.03932	7.3
151.05043	0.6
151.07555	3.4
152.04683	0.8
152.07921	1.0
153.05464	1.5
155.04945	0.4
155.06068	1.4
157.06499	0.4
159.07986	0.5
160.05211	1.5
161.05971	2.6
163.03896	0.5
163.07565	0.7
165.05453	0.8
167.07047	31.2
168.07384	2.1
168.10196	1.1
169.10596	0.6
171.04391	0.6
171.06450	0.4
172.05072	0.3
173.05997	5.6
174.06752	0.5
175.03929	0.6
175.07552	2.5
177.05455	3.0
178.05951	0.4
179.07050	1.3
179.17047	0.4
181.04977	14.0
181.06409	0.6
181.08478	0.5
182.07228	0.4
187.07520	0.6
189.05417	0.7
189.09148	0.4
190.06229	0.7
191.07027	0.8
193.08629	1.0
195.08131	0.5
198.03203	0.6
199.03580	0.5
201.05338	0.5
203.07001	2.2
205.08627	4.6
207.06551	1.3
207.10152	0.6
209.08098	0.5
211.07652	0.6
217.08583	1.5
219.06386	0.5
219.10172	0.6
221.08063	0.7
231.06497	10.3
232.06871	8.5
233.06104	0.4
233.08022	2.1
235.07533	0.7
235.09662	4.8
241.08591	1.1
245.07924	0.4
249.09196	0.4
263.06906	0.6
265.08603	0.7
269.08047	0.6
277.08557	0.7
279.06699	0.5
279.10272	0.4
289.08261	0.5
291.10059	0.5
293.08282	0.5
295.09622	0.8
297.07523	0.5
301.10800	0.9
307.09604	1.0
313.10788	0.8
323.09198	0.7
325.10818	0.6
329.10089	1.8
337.10611	1.0
339.12521	0.6
343.12009	0.4
349.10785	0.6
351.12375	0.4
355.11826	2.3
357.13324	9.0
367.11725	0.9
379.11716	0.5
381.13397	1.1
383.15045	0.7
385.12827	0.8
387.14398	50.3
388.15048	0.4
391.11911	0.6
397.12970	0.6
398.12933	0.4
399.16696	1.8
403.11993	0.7
403.40891	0.4
411.14493	0.8
415.13696	1.4
416.14240	1.5
417.15924	0.6
429.15353	0.6
433.12967	0.5
441.15475	0.7
446.16455	0.4
459.16653	2.6
469.14896	0.5
481.15012	0.5
535.19751	0.5
547.19342	1.4
553.20959	1.7
565.21094	3.1
583.21832	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	583.2175
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03941	3.7
55.01888	1.5
63.77351	1.2
63.96823	1.4
65.03931	3.5
67.05495	2.9
69.03424	2.6
70.06591	2.7
71.52509	2.1
74.50739	1.4
78.04701	2.5
79.05501	7.6
81.03416	8.7
81.07049	3.0
82.04200	1.5
84.08151	2.3
85.02917	3.0
86.09679	1.6
88.76625	1.4
91.05490	11.6
93.07034	2.2
94.04185	5.1
95.04955	3.7
95.08575	1.3
96.11506	1.3
97.06547	1.2
103.05467	6.7
105.03446	1.4
105.04543	1.2
105.07034	13.2
105.34731	1.2
106.04169	1.6
107.04961	14.5
109.06524	1.8
111.04417	1.6
115.05467	13.5
116.06202	1.4
117.03432	1.3
117.07020	12.7
118.04167	2.4
119.04947	1.9
119.08585	3.2
121.06524	4.4
122.03654	8.1
123.04454	5.1
124.05231	2.1
125.05983	2.5
127.03932	1.8
128.06241	1.4
129.07047	2.7
130.04190	1.9
131.04944	7.1
131.08554	2.4
132.05759	2.0
133.02858	19.0
133.06505	9.8
135.04433	2.2
137.05981	100.0
143.04907	3.7
144.05672	4.0
145.06493	17.2
147.04398	3.2
147.08025	6.1
148.05226	1.8
149.05971	4.2
151.03914	15.4
151.05003	3.0
151.07570	5.3
152.04721	2.2
153.05443	4.2
155.06000	6.0
156.05742	2.8
157.06490	3.8
159.04561	1.3
159.08078	2.7
160.05226	1.5
161.06004	15.2
163.07523	1.6
163.43459	1.3
165.05469	3.7
166.06329	1.3
167.07047	85.6
171.04382	1.6
172.05215	3.0
173.05992	15.8
173.78432	1.2
175.07574	9.9
177.05394	7.1
179.07065	5.8
181.04962	32.3
181.06540	2.6
181.08560	4.1
185.05954	1.5
187.07585	5.7
189.05417	1.3
190.06261	3.5
191.07079	6.1
192.07954	1.4
193.08659	7.9
195.06537	4.7
197.06053	2.6
198.06793	1.7
201.05469	2.5
203.07027	2.9
205.04822	1.6
205.06723	2.6
205.08565	12.6
207.06546	12.8
207.10194	5.2
209.08037	2.1
211.07497	1.7
213.05305	1.6
217.08543	9.7
218.05751	1.9
219.10046	6.3
221.08092	3.6
223.09645	2.6
224.08488	1.3
225.05470	2.0
226.06258	5.0
229.08607	1.9
231.06386	2.1
233.08073	13.2
235.07555	2.0
235.09633	24.5
236.08556	1.4
237.05511	2.2
237.11351	2.3
239.07216	1.4
241.08621	9.5
243.06181	1.4
247.07472	2.0
247.09764	2.1
248.08336	1.9
249.05542	1.8
250.06230	1.3
251.07010	2.1
252.08054	1.7
254.05820	2.4
255.06561	1.8
257.08054	3.1
260.08350	2.1
263.07004	3.7
263.09366	3.0
265.08505	2.6
265.16922	1.4
267.10309	1.9
268.07309	2.5
269.08078	5.0
271.06149	2.7
271.09659	2.7
275.07016	3.4
275.10596	1.5
276.07822	2.4
277.08585	3.5
279.10660	1.5
280.07309	1.7
285.07526	1.6
287.12778	1.5
289.10864	2.7
290.09094	1.7
291.10175	2.0
293.08179	1.8
295.09668	3.1
297.07477	1.4
299.05890	1.8
299.09146	2.4
300.06769	1.5
301.10938	6.9
307.09641	4.3
309.11273	1.8
311.09143	2.3
313.10663	3.0
314.07932	3.8
314.11618	1.6
315.12094	2.5
319.09555	2.9
321.07642	1.9
321.11124	3.0
322.08157	1.8
323.09128	2.6
324.10141	1.5
327.12192	2.6
329.10162	14.8
331.11697	4.8
337.10681	3.0
339.12231	2.8
343.11453	1.9
349.10590	1.6
351.12244	5.3
353.09955	2.5
355.11743	3.9
363.12357	3.1
367.11783	3.2
368.12479	1.6
369.13242	4.7
373.12769	2.6
379.11896	2.8
381.13455	7.6
383.14944	5.2
385.12766	6.5
395.14951	2.2
397.12750	3.8
399.14536	6.0
401.16068	2.7
411.14337	8.0
415.13898	4.5
423.14633	2.3
429.15442	1.6
441.15619	6.1
459.16544	22.3
529.18799	2.1
535.19141	4.3
547.19885	8.7
553.20679	12.1
565.20648	30.7
583.21350	30.7
583.35760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01863	2.9
56.96560	1.5
65.03948	3.4
67.05498	2.0
69.03442	1.1
69.07060	0.9
70.06588	2.2
71.01360	1.2
71.52402	1.5
72.08167	0.9
77.03923	0.9
79.05478	3.5
81.03415	2.0
81.07075	1.6
84.08148	2.0
85.02900	3.1
86.09693	1.1
87.98862	0.9
91.05482	4.8
93.03439	1.3
93.07031	1.6
94.04186	1.3
95.04984	3.0
95.08612	1.2
98.97598	1.1
102.04655	0.9
103.05475	17.8
105.03378	1.6
105.04539	1.0
105.06995	4.4
107.04973	4.6
108.02094	2.1
109.06531	1.6
111.04446	1.9
115.05467	4.0
117.03439	1.1
117.07026	2.9
118.04169	4.2
119.04923	2.4
119.08537	1.2
119.90714	1.0
120.08961	1.0
121.06494	4.3
121.10084	1.2
122.03638	2.7
123.04440	3.4
124.05199	1.7
125.06029	2.2
129.06975	1.3
130.04112	1.3
131.04945	27.2
133.02863	3.4
133.06494	3.2
135.04414	2.7
135.08069	1.8
137.05984	56.1
141.05458	2.1
143.04900	1.9
145.02876	2.1
145.06497	4.2
146.03610	1.4
147.04440	1.4
147.08029	2.2
148.05223	7.9
149.05981	4.2
150.06770	1.0
151.03917	100.0
151.05009	7.2
153.05447	3.3
153.16551	1.0
160.05156	2.2
161.05989	4.0
163.03951	2.0
163.07547	18.9
165.05461	3.6
167.07028	10.6
173.05980	3.2
173.13327	1.2
175.07582	5.9
176.04732	1.8
177.05455	6.5
178.06262	2.0
179.07063	1.5
181.04991	15.5
187.07520	2.0
189.05444	1.3
191.07037	84.5
193.08592	2.2
195.06476	2.9
203.07062	4.0
205.06645	1.4
205.08614	3.8
207.06482	1.2
207.10031	1.7
209.08084	4.3
217.08644	1.5
219.10104	1.3
221.08081	1.1
223.07530	1.1
223.09575	1.6
231.06441	1.3
233.08076	2.9
234.06802	1.4
235.07622	1.2
235.09692	3.8
237.09236	2.2
249.09203	2.1
251.07054	1.0
263.06973	1.3
263.09256	13.1
265.08325	1.0
267.10123	1.3
277.08591	2.0
283.09723	1.1
293.07980	1.2
295.09607	1.1
297.11215	1.3
299.09244	0.9
307.09296	1.1
309.11276	1.5
325.10760	1.7
327.12347	2.7
329.13751	2.2
337.10818	1.5
351.12299	2.4
355.11835	9.0
357.13449	2.5
369.13333	3.6
387.14410	19.8
583.26007	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.01882	7.8
57.03448	7.9
61.02927	8.3
64.92190	1.1
66.21069	1.1
68.99789	3.4
69.03433	30.9
69.45634	2.4
69.46040	6.8
69.86685	1.4
70.06586	5.7
71.04990	7.1
72.08157	3.3
73.02923	8.5
74.06068	1.2
74.70679	1.1
81.03422	23.0
84.04498	2.8
84.08143	3.5
85.02910	100.0
86.09694	3.4
87.00829	32.9
87.04439	1.8
91.03934	1.9
91.05473	10.1
93.07067	1.2
95.04986	1.4
97.02896	35.7
98.11056	1.3
98.21529	1.3
99.04463	13.0
103.03934	3.4
103.05465	1.5
105.01878	34.6
105.07036	7.9
109.02891	25.2
109.06506	1.6
110.07189	2.9
111.04438	2.0
115.05472	2.1
117.01853	2.5
119.04945	4.7
120.08113	2.8
123.04430	4.7
127.03922	45.8
128.06221	1.3
129.01843	4.1
129.06966	3.9
129.10220	2.1
131.04929	2.1
133.06497	5.8
135.04413	1.9
136.07584	3.4
137.05992	43.7
143.04942	3.1
143.08556	1.8
145.02847	4.6
145.04965	21.7
145.06261	1.4
145.06470	1.1
147.02985	2.5
147.04401	8.0
149.05965	5.0
151.07549	29.5
153.06967	1.5
155.07021	1.4
157.06540	6.4
159.02888	11.3
161.05988	30.6
163.03937	4.2
165.05489	16.7
167.07050	2.6
171.02820	1.7
171.08064	3.3
173.04535	1.5
173.05963	2.5
175.07552	12.0
177.05487	12.4
179.07040	69.1
181.06500	4.1
185.05952	4.6
187.07567	1.9
189.03964	22.3
189.05487	2.2
189.09084	2.3
191.07095	3.3
195.06470	1.2
197.06062	1.8
197.08095	5.6
199.07555	9.7
203.07050	24.1
205.08623	2.5
213.04008	2.2
217.08606	9.2
219.01677	1.9
221.08099	46.3
223.80844	1.4
227.07050	5.9
231.05000	10.6
233.08107	5.3
245.08104	37.3
249.06053	4.3
263.09161	81.4
281.10281	2.9
307.08084	3.6
317.06555	1.8
323.11169	2.9
331.08081	2.2
333.91458	1.5
349.09201	25.7
367.10223	34.0
376.00909	2.0
376.06207	1.4
385.11227	14.7
391.03424	4.2
403.12234	2.0
468.00256	1.4
501.11288	2.1
514.07123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03940	2.2
55.01876	2.3
56.05059	0.4
57.03445	0.6
60.04530	0.6
65.03941	3.3
67.05505	1.5
69.03426	0.8
69.07057	0.5
70.06602	4.9
70.28587	0.8
71.01363	0.5
71.04990	0.8
72.08141	2.2
74.06065	0.5
75.04474	3.8
77.03957	0.5
78.04698	2.2
79.05085	0.5
79.05484	3.2
81.03407	1.7
81.07061	1.1
83.04979	0.8
84.04495	1.2
84.08147	3.4
85.02910	4.0
86.09713	2.7
86.17682	0.4
89.03931	2.1
89.06025	1.2
91.05490	14.0
93.03416	10.4
93.07050	5.9
95.04964	4.3
95.08582	0.6
97.02900	0.9
97.06529	3.1
98.06100	0.5
98.97600	0.6
103.05465	6.3
105.03413	0.7
105.04470	0.8
105.07039	2.2
106.04183	27.9
107.04970	2.7
107.08610	0.5
109.06527	1.4
110.07184	1.3
111.04442	0.8
115.05482	0.6
117.03371	4.6
118.03649	0.6
119.04973	2.9
119.08580	0.6
120.08105	1.0
121.06508	29.3
121.10171	0.7
122.03570	0.6
123.04438	2.0
123.08077	1.0
124.05301	0.5
125.05992	6.8
129.05502	0.6
129.10217	1.5
131.04944	1.7
132.05669	0.5
133.02812	0.5
133.06497	1.1
133.10143	0.8
134.03659	4.5
135.04395	2.0
135.08073	1.2
137.05966	5.5
138.06747	1.0
139.07555	2.1
145.02849	8.0
145.06442	0.5
145.10109	0.6
146.03226	1.9
147.04391	1.4
147.08072	0.5
148.05153	1.7
149.05988	45.8
150.06526	0.5
151.02763	0.7
151.03923	9.9
151.05104	0.7
151.07578	3.3
152.04231	3.3
152.07051	1.6
152.08221	0.8
153.05473	1.9
153.09105	10.9
159.11597	0.6
160.05223	0.5
161.05988	1.3
162.01372	0.6
162.03171	0.6
163.03889	1.4
163.07536	2.1
165.05504	1.3
166.06201	1.8
167.07053	4.6
168.07341	0.6
171.04457	0.6
172.41356	0.5
173.05934	0.8
175.03860	1.0
176.04501	0.7
177.05472	31.8
178.05894	3.7
179.06963	1.1
180.07526	0.8
181.08598	20.3
191.06953	3.5
193.08653	0.7
195.06458	0.9
196.07268	0.9
201.05502	0.7
207.08966	0.6
209.08098	100.0
220.42998	0.4
223.04243	6.0
231.06595	2.5
232.06891	0.4
241.92342	0.4
251.09142	6.6
308.16986	0.5
309.07526	0.5
312.08984	1.1
325.10568	0.6
339.08615	0.9
340.08990	2.5
353.10208	0.7
354.10294	0.6
369.13336	1.9
371.11325	1.4
372.11588	3.6
401.15851	2.1
546.23413	0.9
582.19781	0.6
585.68225	0.5
590.18359	0.4
595.97546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.9
53.03937	3.6
55.01862	2.4
55.05510	7.6
56.24842	0.6
57.03412	2.0
57.07063	1.1
59.89994	0.7
61.02917	2.4
65.03938	2.1
67.05508	24.5
69.03426	8.3
69.07072	8.1
70.06587	2.8
72.85367	0.7
73.02924	1.2
79.05491	14.6
81.03425	4.8
81.07059	48.7
82.86640	0.6
83.08607	2.6
84.08150	1.7
85.02907	34.1
86.09686	1.9
86.34260	0.7
87.04472	1.1
91.03985	1.1
91.05482	18.4
93.07048	33.6
93.07642	1.6
95.04958	2.7
95.08611	59.3
97.02888	10.0
97.06512	1.1
97.10165	2.4
98.20748	1.7
99.04468	1.8
100.11200	0.8
103.05447	1.7
105.07034	64.7
107.08598	58.7
109.02879	3.8
109.06523	1.1
109.10159	43.7
111.08093	0.9
111.11714	1.0
115.82503	0.8
117.07005	1.9
119.06026	1.0
119.08585	43.0
120.08060	0.9
121.06557	0.7
121.09338	1.5
121.10149	20.2
123.11704	9.1
125.78658	0.8
127.03918	8.3
131.08617	1.7
133.06584	0.8
133.10136	25.0
135.11703	11.0
137.05980	0.9
143.69624	0.7
145.02870	1.5
145.04970	12.9
145.10114	4.1
147.11694	51.0
149.05914	1.0
149.13249	2.8
150.21692	0.7
151.11182	2.5
159.11702	2.9
161.13272	16.0
163.03923	0.8
163.06023	5.0
163.14832	12.1
164.16791	0.8
165.12738	1.4
167.07051	2.3
171.11658	1.0
173.95647	0.7
175.14839	9.0
177.05418	2.2
181.04950	0.9
191.34280	0.7
201.16443	1.0
203.17960	100.0
203.74023	0.7
209.96010	0.7
221.19006	8.6
261.14911	0.7
325.11319	1.0
331.08081	2.2
332.08456	3.4
580.43530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23213	0.8
55.05522	5.1
56.04996	1.2
56.96538	0.9
57.84090	0.8
69.31380	0.9
70.06590	1.3
71.11347	0.9
71.51591	1.5
72.08160	76.8
82.06568	1.6
85.04037	2.3
86.09701	1.3
91.05496	6.7
96.56595	1.0
99.09225	1.1
101.32894	0.9
107.04969	1.3
117.03385	1.1
119.04962	7.9
120.04465	11.1
121.06476	2.0
127.08699	6.3
127.52397	1.1
132.04445	1.3
136.07590	100.0
145.02890	2.3
146.04837	1.8
146.06015	35.3
148.03926	4.7
156.04425	2.9
158.06049	1.0
161.05960	0.9
163.08662	2.6
164.07120	2.3
171.14932	12.9
173.07109	2.6
174.05519	39.0
177.05487	3.5
181.08249	1.8
181.09731	23.3
191.08220	4.9
199.14456	9.7
201.06584	1.4
202.05011	19.7
219.07616	1.8
227.11830	3.0
235.14462	6.9
245.12860	2.2
255.11143	1.8
261.08817	1.3
262.15790	1.1
263.13904	4.0
273.12387	3.8
290.15015	13.6
301.11874	3.0
317.18637	1.7
318.14478	11.8
354.14426	3.1
362.20795	2.1
379.23196	1.5
382.13989	17.6
384.11407	1.1
389.21875	6.8
400.18680	2.3
417.21268	10.4
453.21344	2.8
481.20886	27.5
552.28235	6.9
580.27582	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	580.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
52.84892	0.6
53.03936	2.3
55.01867	2.1
55.05514	2.1
57.03426	1.2
61.02932	1.0
64.03130	0.6
67.05513	0.9
68.99787	0.9
69.03438	8.1
70.06593	3.5
70.84252	1.8
71.04978	1.4
72.08157	2.0
73.02922	1.4
74.06116	0.8
79.05489	1.6
81.03416	5.1
81.07070	1.4
82.06594	1.2
83.08611	1.5
84.04467	0.7
84.08139	3.4
85.02914	16.5
86.09705	4.2
87.00850	6.0
91.05486	2.6
93.07064	1.6
95.08603	0.9
97.02896	8.1
99.04475	2.8
100.11276	4.9
103.05460	1.5
105.01898	4.1
105.07044	7.4
107.04965	100.0
109.02892	6.2
109.10143	1.4
110.07157	0.9
111.04501	1.3
115.05356	0.9
116.07118	0.8
117.07071	0.8
119.04929	0.9
120.08125	1.1
121.06526	3.9
123.04498	0.7
127.03925	10.8
128.07123	1.1
129.01817	0.8
129.07091	0.8
129.10303	1.5
131.04939	2.2
131.08626	0.7
133.06509	54.5
137.05974	1.5
137.09630	0.9
139.08675	1.1
140.07053	0.6
144.05705	0.7
145.02884	2.2
145.04973	5.2
145.06476	1.7
145.10185	0.7
147.04385	0.9
147.08032	0.9
149.05977	10.1
151.07574	1.6
153.05573	0.9
157.06516	4.2
159.02910	3.6
161.05986	0.9
162.63509	0.6
163.03928	1.6
165.09126	5.3
167.07050	9.8
168.07404	4.0
171.02760	0.7
171.08063	0.9
173.06036	2.4
173.09534	0.6
175.07469	1.2
177.05490	4.1
177.09122	8.3
178.05959	0.8
181.04977	2.6
182.15457	2.9
189.04018	1.0
189.09108	1.4
191.07069	2.0
191.10698	5.9
191.91316	0.6
194.11957	0.7
199.07646	0.8
209.16524	2.1
210.14986	2.8
217.08572	0.7
231.05032	2.5
233.08138	1.0
237.02821	0.8
257.58066	0.7
279.13885	2.4
297.14847	26.8
315.15942	13.4
321.14685	1.6
336.22995	2.1
339.15979	1.4
405.17282	0.7
548.19379	1.4
550.36218	0.7
562.39368	2.5
580.21112	5.7
580.40582	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91071	0.7
66.98055	0.7
70.06589	1.2
71.51003	1.1
72.08165	1.0
72.34457	0.6
72.60722	0.7
74.02441	1.1
74.97768	0.7
86.09696	0.9
91.05495	1.1
98.97597	0.8
110.03668	0.9
115.05449	1.0
117.07055	1.0
118.06556	16.8
127.03893	0.8
130.06532	2.5
132.08127	3.5
142.06563	1.1
143.07277	1.6
144.08098	10.8
146.06024	57.4
149.06097	0.7
151.03941	1.3
153.60072	0.8
159.09177	5.5
160.07561	1.1
167.07072	0.7
170.06020	4.2
188.07082	100.0
189.07433	1.2
205.09744	45.7
213.07594	3.3
514.24927	1.0
550.16980	0.9
579.19086	1.0
602.15222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1347
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
58.43911	0.4
68.99785	0.9
69.69080	1.8
70.06578	0.7
81.70854	0.3
84.08146	0.6
85.02892	0.5
86.09702	0.8
91.05450	0.5
95.65442	0.3
99.00814	1.3
109.83434	0.3
112.01606	1.0
119.04971	0.4
127.00265	1.3
127.03886	0.4
131.04936	7.3
135.04434	0.9
145.02846	0.7
148.05194	2.3
149.05940	0.9
165.09308	0.4
166.99785	1.0
167.07030	1.5
168.00557	18.2
177.05482	1.4
181.04955	0.6
183.02942	2.9
185.00812	1.9
186.01605	6.9
209.08157	0.5
225.05518	1.1
228.04182	0.4
255.02942	0.4
256.03671	0.5
267.06604	0.5
270.05295	1.1
271.06042	1.0
273.03989	0.7
283.02374	0.4
284.03214	1.6
285.07446	0.9
297.04221	0.4
298.04742	7.3
299.05493	0.7
301.03510	2.4
315.58795	0.3
316.05786	10.4
331.08145	100.0
332.08484	0.6
338.00632	0.4
363.08688	0.5
368.68805	0.4
547.19781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
56.05017	0.8
58.06585	0.4
65.03927	0.9
67.30343	0.3
69.03433	1.9
70.06596	12.1
71.51815	0.6
72.08164	1.8
74.06077	1.6
78.04702	1.7
79.05477	1.3
81.03410	0.9
81.07042	0.4
82.04190	0.5
82.56821	0.3
84.04488	1.4
84.08125	1.4
84.85934	0.3
85.02895	2.9
86.09721	1.6
91.05460	1.6
93.03424	0.6
93.07020	0.4
95.04958	0.8
97.02899	1.1
101.07116	0.8
102.05577	0.4
103.05466	1.3
105.03414	0.6
106.04173	1.0
107.04956	1.5
109.02885	0.4
110.03674	0.8
113.07117	0.5
115.05453	3.1
116.07105	0.6
117.07019	5.2
119.08549	0.5
120.08095	2.0
122.03687	0.6
123.04433	5.6
124.05222	1.6
127.03947	0.8
127.05433	1.0
127.08666	2.7
129.10191	0.5
132.37903	0.3
135.04414	0.4
137.06004	0.9
142.02669	0.5
145.02786	0.5
145.06494	7.8
145.07634	0.5
147.04424	0.5
147.08067	0.5
151.03885	1.4
152.04701	1.5
155.06044	4.1
155.08167	1.4
159.07660	1.2
160.05099	0.8
161.06010	0.6
163.03961	0.7
165.05531	0.3
167.07043	100.0
168.07352	0.4
171.06552	0.6
171.11310	0.9
173.05989	20.0
175.07512	0.6
176.10600	0.4
177.05492	0.8
181.04959	21.7
187.07126	0.5
191.07060	0.4
192.07704	0.8
199.10841	0.6
201.05421	0.8
205.08614	4.2
210.99622	0.4
211.10895	0.4
215.08316	0.3
221.08127	0.6
221.12851	1.6
230.29816	0.4
233.08070	5.1
235.09663	4.5
244.09232	0.4
245.51735	0.4
256.13031	0.8
274.13940	1.9
313.15121	1.4
331.16046	3.7
374.82538	0.3
387.14398	12.9
417.15460	12.0
417.20883	0.6
460.28430	0.4
492.17130	0.4
579.20709	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	579.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09296	4.1
55.05519	39.2
57.07078	52.1
67.05513	51.8
69.03429	7.7
69.07069	63.3
69.19317	7.1
69.19718	34.7
71.08636	35.4
73.06512	4.1
73.09126	3.6
77.89790	3.7
79.05499	38.5
81.07057	85.2
81.35168	3.8
83.04987	36.5
83.08620	27.4
85.10187	24.3
87.04470	7.5
89.06026	44.9
90.72479	3.9
91.05485	39.8
93.07042	54.9
95.04977	10.9
95.08615	70.2
97.06522	8.2
97.10175	16.6
98.21543	9.3
99.11685	4.3
104.87016	3.5
105.07040	77.0
107.08605	59.2
109.06525	18.9
109.09474	7.3
109.10163	73.8
111.08097	3.7
111.11745	7.9
114.17833	4.9
117.07022	12.2
117.09167	5.5
119.08596	63.3
121.06480	5.1
121.10159	33.2
123.08079	6.2
123.11716	12.7
124.55183	3.8
125.13360	4.1
128.06229	5.2
129.06993	11.6
131.08582	25.3
133.08617	23.6
133.10139	37.7
135.08092	9.7
135.11691	24.7
137.09610	17.3
142.07739	9.1
143.08565	20.8
144.09341	4.9
145.10146	46.7
147.11693	60.9
149.09628	100.0
149.13225	5.6
151.11185	5.2
155.08557	7.9
156.09528	3.9
157.10135	24.2
159.11732	26.2
160.09857	3.6
161.09665	4.4
161.13260	14.4
163.11203	5.7
163.14822	5.9
169.10165	14.0
171.10295	3.5
171.11679	24.4
173.13326	20.5
175.14838	9.0
177.11238	10.5
177.16446	7.8
181.10179	5.8
183.11729	11.1
185.13243	10.7
187.14813	9.0
191.14354	5.6
195.11726	6.2
196.18031	4.5
197.13228	11.4
199.14867	10.5
199.74567	3.8
201.12712	4.4
201.16374	8.8
203.14378	4.3
205.15948	3.7
209.13254	8.4
211.14857	9.3
212.64738	4.4
213.16399	9.8
215.14397	7.1
217.15918	4.9
221.13570	7.2
223.14844	5.0
237.16405	7.3
239.17981	5.2
241.19585	6.2
277.19666	4.4
283.20670	5.3
336.98236	4.4
397.38168	12.9
427.39355	4.4
436.36032	3.7
531.49927	4.5
543.48865	5.4
549.50220	16.3
561.50519	27.3
579.38043	15.4
579.51648	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	578.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	22.8
55.01880	9.5
55.05497	25.4
57.80821	8.2
60.12514	6.9
64.99550	8.3
65.03934	10.5
67.05512	95.9
69.03426	46.4
69.07064	22.0
71.53611	13.7
74.32381	6.9
79.05496	70.8
80.05047	7.6
80.15506	6.7
81.03416	76.5
81.07064	91.5
83.04977	15.5
83.08619	16.9
84.08115	11.1
85.02901	33.9
91.05474	61.6
93.07045	100.0
95.04947	21.1
95.08613	79.5
97.02904	27.3
97.10198	13.0
105.07047	56.7
107.04967	8.2
107.08594	46.5
108.04476	18.5
109.02879	18.6
109.06533	11.7
109.10146	30.3
111.04488	8.0
111.08087	11.8
117.07029	38.3
119.08594	47.3
121.10141	39.8
123.11728	9.3
127.03919	13.9
128.06261	9.2
129.07013	19.5
130.08655	29.2
131.08530	43.8
133.10115	34.4
135.08055	17.7
135.11708	27.4
143.08626	16.7
145.10126	35.8
147.08153	8.9
147.11700	27.4
149.09615	8.6
149.13254	11.3
156.96368	13.8
157.10098	12.3
159.08046	10.1
159.11719	28.4
161.13277	17.8
169.10165	7.7
171.11725	11.7
173.13280	22.1
185.13295	11.6
187.14885	10.3
201.43512	7.2
208.26221	8.0
261.22333	11.7
277.21878	11.1
289.21494	8.1
291.23126	8.6
303.23196	17.4
341.24744	12.1
351.22961	14.9
353.26801	26.2
369.24280	30.9
387.25156	24.5
405.26266	26.1
493.22900	24.9
578.37543	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	579.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03158	0.2
53.00322	0.2
53.03931	0.6
55.01865	0.6
57.03424	0.2
61.02934	0.5
65.03942	1.1
67.05490	0.4
68.99743	0.3
69.03428	1.4
69.96235	0.8
69.96606	0.3
70.06579	0.9
72.08145	0.3
73.02913	0.2
74.99288	0.2
76.79279	0.2
78.04716	1.6
79.05477	0.9
81.03437	1.0
81.07062	0.2
81.90285	0.2
82.04183	0.4
84.08108	0.4
85.02905	2.3
86.09693	0.6
87.04444	0.2
91.05477	0.9
92.76340	0.2
93.03413	0.3
95.04955	0.8
96.05707	0.2
97.02882	0.9
97.06526	0.6
98.20845	0.3
103.05490	1.3
106.04165	1.7
107.04961	1.2
108.02094	0.2
109.02904	0.2
110.03645	0.6
111.04409	0.3
115.05464	3.4
116.06322	0.2
117.07027	4.8
119.08557	0.3
120.08078	0.3
122.03607	0.3
123.04431	5.2
124.05205	2.0
125.05969	0.4
127.03917	0.3
127.05453	0.9
131.04924	0.5
132.05672	0.2
133.06367	0.2
134.03641	0.3
134.76210	0.2
137.05940	0.7
138.03101	0.2
142.02641	0.3
143.04855	0.3
144.05733	0.2
145.06487	8.8
147.08040	0.4
151.03908	1.2
152.04655	1.7
153.05466	0.7
155.04938	0.4
155.06039	4.4
155.07166	0.4
161.06003	0.3
163.03934	0.3
167.07045	100.0
168.07483	0.3
171.06573	0.7
173.05992	19.2
174.06461	0.2
175.07574	0.8
177.05540	0.5
181.04964	23.1
189.05371	0.4
190.06287	0.4
196.25626	0.2
201.05484	0.6
205.08603	3.8
212.10526	0.2
213.12390	0.5
221.08357	0.3
233.08089	4.9
235.09674	4.0
295.09549	0.2
355.12122	0.3
356.12445	0.2
387.14404	14.4
394.73090	0.2
405.68011	0.2
417.15439	9.6
565.82532	0.2
579.20740	56.3
580.21045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.4
55.01876	1.0
55.05510	1.7
57.07076	1.3
60.47018	0.5
65.03954	0.6
67.05507	4.9
69.03436	1.8
69.06731	0.8
69.07075	8.9
69.52753	3.8
71.04999	0.7
79.05070	1.2
79.05500	13.7
81.03419	2.6
81.07066	10.7
83.04999	1.0
83.08613	0.8
85.02896	3.9
86.09711	100.0
87.00838	2.1
91.05485	6.5
93.07048	22.1
93.07634	1.2
95.04970	1.1
95.08602	5.4
97.02903	1.7
97.06496	1.0
105.01893	1.3
105.07049	3.0
107.04984	1.0
107.08597	13.0
109.02886	1.7
109.06550	1.0
109.10204	0.7
117.07025	2.2
119.08604	1.6
121.06471	0.8
121.10168	4.1
123.08119	0.7
123.68193	0.6
127.03917	2.1
128.10716	1.6
131.08595	2.2
132.10211	50.1
133.10139	5.3
135.08061	2.1
135.11693	14.2
145.04958	0.6
147.11716	1.0
149.13261	14.9
151.11191	1.5
151.14827	1.6
153.12701	0.8
159.02946	0.7
159.11772	2.7
177.12769	9.6
192.13808	1.7
194.15274	0.6
195.13675	0.6
206.15468	0.7
225.12709	0.9
238.14444	1.1
254.17531	4.5
262.21671	14.7
280.22714	2.4
290.21136	1.7
308.22205	72.8
326.23282	28.9
326.26434	0.4
329.43927	0.6
336.21759	0.7
424.69611	0.6
556.27979	0.7
574.19702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
68.99789	0.4
69.03441	0.3
71.04986	0.3
81.03408	0.8
81.07054	0.6
85.02912	1.3
86.09717	0.3
87.00819	0.5
89.03889	0.3
91.05467	0.6
93.07064	0.5
95.08604	0.6
97.02882	0.8
98.20774	0.5
105.01850	0.4
107.04909	0.3
109.02866	0.5
109.10153	0.5
115.05453	0.4
117.03392	0.5
119.08635	0.3
121.06524	0.5
125.02341	0.4
127.03928	0.7
128.12628	0.3
133.75600	0.2
134.03621	0.9
135.04428	0.3
145.02846	0.6
145.04904	0.3
149.06012	0.5
155.04947	0.5
159.02917	0.5
159.11771	0.4
163.03990	0.3
167.07117	0.4
168.00458	0.3
175.03960	1.3
177.01886	0.4
177.05453	1.1
180.00551	8.7
181.01343	8.0
183.04391	0.5
193.39667	0.3
198.01614	4.5
201.05536	0.4
201.96246	0.2
211.03990	0.6
213.05498	0.3
215.07181	0.3
223.03952	0.3
224.13344	0.3
225.05299	0.4
230.05438	0.3
239.03365	1.0
241.05043	1.7
243.06482	0.3
257.04456	0.7
258.05072	0.3
267.02817	0.4
268.03650	0.3
269.04489	6.4
271.06055	1.0
273.07672	0.7
286.04736	0.5
296.03253	1.1
297.03955	3.2
299.79346	0.3
301.07104	0.6
308.07080	0.3
311.05533	0.5
314.04214	5.0
316.21231	0.4
329.06573	100.0
330.06909	0.7
577.20361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
53.93304	0.4
54.02192	0.4
57.07076	5.8
57.34311	0.3
57.94156	0.3
58.06604	1.7
59.59169	0.4
69.07052	0.4
70.06597	15.3
71.08633	2.8
71.52531	0.4
72.08151	0.4
74.06055	0.5
74.52656	0.4
76.87265	0.3
77.70358	0.4
79.05488	0.4
85.10200	0.6
88.07634	18.3
91.05531	0.5
102.09187	13.9
105.03395	13.1
131.04893	0.6
149.02365	9.2
149.05988	58.9
175.03877	0.6
177.05986	0.4
181.06468	1.5
193.04980	10.5
212.23822	0.8
219.06595	1.0
256.26367	41.8
288.09863	0.5
297.07581	12.6
300.25247	0.4
337.27243	0.7
341.10205	48.7
342.10593	0.6
570.34271	100.0
571.34418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
54.62016	0.3
55.01862	0.5
57.03439	0.8
61.02930	0.6
69.03435	2.2
70.06594	4.4
71.04996	0.5
71.33896	0.7
72.08148	2.0
73.02905	0.5
75.62707	0.3
79.05442	0.4
81.03413	1.2
81.07050	0.6
84.04485	0.6
84.08144	1.7
85.02912	7.0
86.06072	1.1
86.09711	1.8
86.11327	0.4
87.04472	0.5
91.05479	1.1
94.04182	1.6
95.04967	0.5
97.02879	2.2
98.97593	0.4
103.05510	0.6
105.07042	0.7
107.04959	0.8
109.02891	1.1
109.06511	0.4
110.07189	0.7
115.05456	0.7
116.07095	0.4
117.03425	0.4
119.04980	0.6
120.08115	0.6
121.06509	0.6
122.03658	3.1
123.04431	0.6
125.06014	0.6
127.03924	1.4
129.10240	0.7
131.04889	1.3
133.02808	0.6
135.04453	0.8
136.07635	0.6
137.05988	100.0
143.04932	0.8
144.08136	0.8
145.02850	0.9
145.04973	1.3
147.04413	0.5
149.06003	1.1
151.03922	0.7
151.05060	0.4
151.07571	0.6
152.07008	1.1
153.05524	0.6
159.04489	0.6
160.05209	0.4
161.06000	3.0
163.03889	3.8
163.07530	1.2
164.07144	0.7
165.05540	0.6
165.07079	0.5
166.76988	0.3
170.02097	0.3
175.07558	3.1
177.05511	1.7
179.07051	1.4
179.08627	1.0
181.06436	0.5
188.04741	0.4
190.06108	0.3
191.07068	3.8
191.08643	0.5
193.06606	0.6
195.08165	0.5
203.07021	1.9
207.08041	0.7
209.08138	0.6
210.06946	0.4
217.06496	0.4
219.08092	0.5
221.06015	1.2
221.08104	1.1
222.06686	0.6
224.08299	0.6
225.09154	0.9
233.06052	0.6
234.06851	0.9
235.07588	0.9
237.09122	1.3
239.10707	0.9
241.08484	0.5
249.09099	1.0
251.07115	0.4
253.08569	2.3
262.06287	0.9
265.08597	2.4
266.09399	0.4
267.10153	2.3
269.08118	0.6
273.11447	0.5
277.08691	2.7
279.06638	0.4
283.09753	0.5
284.10471	0.7
285.11221	3.1
294.08911	1.9
295.09662	1.4
297.11292	2.3
299.12814	1.0
309.11218	7.8
315.12274	4.6
327.12308	9.7
339.12198	0.7
345.13354	36.5
357.13419	0.9
410.14468	1.8
572.18414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46855	0.4
53.03936	0.7
56.05023	1.2
61.01146	0.7
63.02370	0.7
65.03916	0.6
66.92313	0.4
69.07060	0.6
70.06603	2.2
71.51849	0.6
72.08145	1.0
74.89865	0.4
78.04701	0.8
79.05476	0.7
81.07063	0.8
84.04483	0.7
84.08132	1.7
86.09709	2.6
89.03919	7.5
91.05482	8.8
93.07043	2.5
95.04965	2.0
97.02930	0.6
103.05480	3.4
104.05321	1.6
105.04494	0.5
105.07005	0.7
106.04154	1.2
107.04974	2.6
110.07121	0.5
115.05436	0.8
117.03384	21.0
117.06976	0.5
119.04942	3.2
120.08109	1.3
121.06525	4.1
121.10155	0.5
122.03614	0.9
125.06040	0.6
125.13273	0.4
129.10262	1.5
131.04941	2.0
134.03638	1.4
135.04387	1.9
136.05202	0.9
137.05989	14.7
143.04926	0.7
145.02849	54.7
146.03195	0.8
147.04398	1.4
148.05165	0.7
149.05991	12.7
150.06746	0.5
151.03973	0.6
151.07536	5.5
155.07042	0.9
158.03624	1.1
161.06000	1.0
163.03946	2.2
163.07533	0.6
165.05452	0.7
166.08755	0.6
167.07045	11.4
168.07437	0.4
173.05971	2.6
175.03874	1.1
175.07556	1.1
177.05472	100.0
178.05861	3.4
179.07050	2.9
180.07849	0.9
181.08528	1.3
181.37071	0.4
182.09375	1.0
186.03072	0.9
186.05533	1.9
187.07628	0.5
191.07053	1.5
192.07794	1.4
194.08134	2.3
201.05476	25.8
206.08122	0.6
207.06541	0.8
209.08080	9.5
210.08876	1.1
211.09549	0.6
213.05420	2.0
218.08191	1.1
227.08887	0.5
231.06520	3.2
264.07928	0.5
309.11237	0.5
323.08969	0.6
335.08936	0.6
342.13330	5.1
344.14944	1.6
346.16446	1.8
355.11725	3.0
367.11862	1.7
385.12796	1.8
467.59744	0.5
522.21234	4.2
552.22198	1.1
570.23157	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.01871	5.9
55.05510	10.1
56.05033	2.9
56.96576	6.2
57.03447	6.9
57.07072	4.6
61.02923	7.6
63.55968	2.6
64.75061	2.4
67.05507	11.1
69.03439	27.2
69.07088	11.5
69.56441	13.1
69.56849	4.6
70.06599	28.4
71.01349	2.4
71.05000	19.0
72.08150	11.9
73.02934	4.1
75.46505	2.5
79.05492	14.8
81.03425	10.5
81.07060	17.9
83.04986	23.6
83.08635	6.3
84.04495	5.3
84.08142	10.5
85.02913	57.3
85.06558	26.6
86.09692	12.5
87.04502	3.2
89.03912	3.5
91.03958	5.3
91.05487	17.5
93.07050	18.6
95.04984	27.5
95.08616	17.0
97.02908	21.1
97.06557	12.5
97.53570	2.9
98.97613	3.7
99.04462	10.3
99.08087	2.9
103.05466	3.5
105.07036	29.1
107.04956	8.6
107.08604	31.3
109.02878	9.7
109.06532	28.0
109.10160	27.5
110.00241	2.2
110.07183	6.5
111.04424	3.9
111.08082	6.7
115.05465	3.2
115.07485	3.9
115.08754	2.6
117.03394	6.9
117.07036	3.7
119.04966	5.3
119.08584	34.3
120.08111	5.8
121.06524	11.9
121.10155	23.0
123.04441	9.2
123.08063	5.1
123.11748	4.3
125.06009	3.0
125.09634	8.8
127.03926	15.6
129.05490	7.1
129.06982	5.4
129.10260	3.8
131.04968	3.4
131.08582	52.1
133.06548	3.3
133.10139	64.0
135.02771	2.4
135.04434	10.9
135.08073	10.4
135.11710	20.5
136.07584	5.9
137.05959	11.9
137.07776	2.4
137.09648	3.0
143.08511	3.9
145.02855	20.2
145.04955	11.2
145.10136	23.7
146.03210	4.0
147.04504	4.6
147.11716	18.8
149.06007	6.4
149.09602	21.0
149.13280	11.2
151.03955	4.2
151.07512	2.7
151.09956	2.4
151.11172	5.9
153.05495	6.6
153.06830	2.1
153.09123	15.1
158.10933	5.6
161.05980	2.9
162.05588	2.7
163.03929	33.3
163.06015	5.0
163.11214	11.1
163.14818	5.2
164.04266	3.1
164.07013	4.3
165.09169	5.8
165.12779	5.0
167.07066	31.2
167.10727	10.1
167.14339	6.8
173.09413	3.6
173.13280	55.6
175.07527	2.3
175.14845	54.7
177.05495	32.5
178.05920	5.8
181.04965	4.3
181.06462	2.7
183.08176	2.6
189.07111	4.6
189.08952	2.7
191.10695	19.8
191.14322	54.3
193.07005	3.2
206.07228	3.7
207.06439	4.0
207.08112	8.7
209.11771	64.7
209.15366	88.5
220.05305	3.3
221.06000	4.5
223.07648	3.4
227.12820	72.9
227.16380	46.7
234.06787	8.8
235.07576	24.1
237.02946	5.8
238.06177	4.5
245.63210	2.9
249.05513	5.3
251.07071	3.3
252.07832	5.8
253.08734	6.5
262.06247	30.4
263.07025	26.2
265.04974	6.3
265.07556	2.8
266.05756	5.1
269.08261	3.0
270.08847	5.2
273.11359	3.3
279.06537	6.6
280.07132	4.5
280.09955	4.2
281.08139	14.2
285.11316	9.2
290.05762	6.8
291.06439	4.6
294.07758	5.9
295.05942	3.8
297.07755	2.5
298.08203	3.5
303.05087	3.6
303.12320	6.2
307.08386	5.9
308.06497	12.1
309.07541	9.8
311.05688	3.7
313.10721	14.6
320.14981	20.7
323.09109	30.8
324.08868	3.5
325.09494	6.1
326.07797	6.6
340.11804	21.0
341.10233	55.0
341.14398	3.2
343.01144	2.7
358.12912	100.0
361.02240	15.8
362.02676	6.1
371.20779	4.2
377.01990	12.8
379.03119	3.4
413.08084	3.0
414.07819	3.1
417.10739	2.7
431.64639	2.6
550.18866	8.8
568.20264	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01862	1.8
59.52273	0.8
65.03951	1.0
66.91791	0.9
69.03428	0.9
69.17142	8.1
70.06602	5.9
72.08144	2.5
76.02265	0.9
78.04700	1.6
79.05485	3.9
81.03422	31.2
81.07027	1.2
84.08144	2.5
85.02898	1.4
86.09708	2.7
89.03902	1.4
91.05495	6.2
93.03424	0.9
93.07055	0.8
94.04174	2.6
95.04961	2.3
95.23644	0.8
97.02921	1.0
98.21509	2.2
103.05477	9.9
105.03383	1.1
105.07020	3.7
106.04197	1.5
106.06552	0.9
106.31851	0.9
107.04955	9.1
108.95221	0.8
109.06536	1.4
110.07129	1.2
111.04446	1.0
115.05457	9.4
116.07060	1.3
117.03381	3.5
117.07004	6.0
118.04189	1.0
119.04935	3.3
119.08597	1.3
120.08088	1.8
121.06509	3.0
122.03675	6.2
123.04453	5.1
124.05207	1.7
125.05953	1.0
129.06964	0.9
129.10242	1.4
131.04938	12.1
132.04436	1.8
132.77419	0.8
133.06491	2.5
134.06007	1.6
135.04369	2.1
137.05981	100.0
138.06409	1.3
143.04901	4.6
144.05695	1.0
145.02846	9.0
145.06491	9.4
145.90590	0.8
146.03648	1.6
147.04384	1.4
149.06026	5.2
151.03949	4.9
151.07483	4.6
152.04649	1.4
153.05469	2.8
155.04948	1.1
155.06062	2.7
156.05725	1.1
156.72092	0.9
160.05185	6.8
161.04767	1.9
161.05956	7.8
163.07542	3.6
164.07135	1.6
165.05508	1.3
165.06943	1.6
166.08656	3.1
167.07047	72.9
168.07335	1.1
169.06500	1.1
170.06039	1.4
171.04489	0.9
172.05144	2.1
173.04767	1.3
173.06009	8.1
175.07547	19.0
176.04718	1.8
176.07083	8.0
177.04106	1.8
177.05495	17.8
177.09091	1.6
178.04813	1.0
179.06964	0.9
181.04967	2.2
181.08702	1.2
182.06020	1.2
182.08209	0.8
183.08095	2.4
184.07536	1.8
187.07579	11.1
190.06187	2.0
191.07013	2.3
192.06587	4.0
193.08659	2.3
194.08144	1.9
196.09726	2.1
200.07201	1.1
201.05409	2.0
203.06960	2.3
204.06514	1.2
205.08620	7.7
206.08130	9.3
207.10072	1.0
209.08046	1.0
211.07565	2.6
212.07109	1.2
214.08916	1.0
217.08588	2.9
218.08157	1.4
220.09602	1.0
222.07643	1.8
230.08035	1.8
231.06458	2.1
232.09644	1.0
233.08121	3.2
234.07355	1.3
235.07742	1.5
235.09671	6.2
242.08121	2.9
243.10201	1.7
244.09708	2.6
246.06886	1.0
247.07637	1.3
248.08354	1.8
252.07933	1.4
255.06372	1.3
258.07745	1.7
260.09177	2.7
263.07019	1.9
271.09601	2.5
272.09177	12.2
274.10672	0.9
277.08624	1.9
279.10138	1.3
281.11380	1.0
289.10925	1.1
290.10291	4.7
297.11151	1.0
302.10126	1.8
303.12283	6.0
307.09543	2.5
308.09903	0.9
309.11295	1.2
311.12747	1.6
315.12222	1.2
322.01807	0.9
324.10074	1.0
330.13486	8.0
333.10782	1.0
337.10681	0.8
339.12238	2.1
340.12329	2.3
341.13675	2.9
353.13889	1.6
356.11472	1.6
365.13525	0.9
366.09070	1.0
366.13373	3.5
382.12759	1.2
394.12750	4.7
396.14417	7.7
398.16022	3.4
408.14780	5.2
426.15466	23.6
520.19550	2.1
532.19769	5.1
536.29852	1.0
550.20703	16.8
568.22144	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01883	0.4
55.05521	0.3
63.02380	0.5
65.03939	0.9
67.05503	0.4
69.03434	0.5
70.06594	1.1
70.53341	0.3
71.01344	0.3
71.52177	0.3
77.93134	0.3
78.04701	0.4
78.16436	0.2
79.05489	1.0
81.03432	0.3
81.07056	0.7
82.04196	0.3
85.02917	0.6
86.09698	1.1
89.03916	5.1
91.05483	3.6
93.03401	0.5
93.07069	1.7
94.04207	0.3
95.04965	1.1
95.08598	0.7
100.30184	0.3
103.05497	2.1
104.10733	0.4
105.03405	0.5
105.04548	0.5
105.07079	0.5
106.04194	0.3
107.04948	1.2
107.08585	0.4
109.06521	0.8
109.10142	0.4
110.03652	0.3
111.04463	0.3
117.03385	14.8
117.07032	0.4
119.04941	1.1
119.08492	0.3
120.08112	0.3
121.06532	1.8
121.07259	0.3
121.10143	0.4
122.03647	0.4
123.04423	0.6
123.69830	0.2
131.04939	0.8
132.10196	0.4
133.02872	0.7
133.06511	0.4
134.03625	1.3
135.04405	1.6
137.05986	14.7
140.04626	0.3
142.02585	0.3
145.02850	41.9
146.03195	0.4
147.04431	0.7
149.05984	7.3
150.06732	1.1
151.03995	0.4
151.07527	1.7
153.05478	0.9
155.06989	0.3
159.04230	0.3
161.05907	0.3
162.03041	0.3
163.03918	0.7
163.07533	0.5
165.05444	1.7
166.06294	0.4
167.07014	1.3
168.10304	0.3
175.07613	0.6
177.05478	100.0
178.05782	0.7
179.07095	0.6
180.07819	1.1
181.04979	7.5
184.07230	0.5
184.16116	0.3
186.05521	1.8
191.06992	0.4
193.04973	0.7
195.06610	0.4
195.19704	0.3
197.08057	0.4
203.07098	0.3
206.08153	0.6
207.06577	0.7
208.07306	2.3
209.08054	0.5
219.06482	0.4
225.07520	1.8
226.08357	1.0
249.18443	0.3
264.80829	0.3
325.10590	0.4
342.13358	3.2
348.16724	0.4
357.13083	0.5
362.15906	1.1
369.09573	0.5
374.16046	0.6
379.80045	0.3
383.10944	0.5
386.16040	0.4
388.14041	0.5
392.16998	2.1
401.12280	0.4
402.71066	0.3
420.84564	0.3
520.20068	0.3
538.20746	3.6
568.21887	0.7
568.34009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.8
55.01866	7.6
55.05513	34.2
56.05865	2.8
57.07074	43.2
57.50559	3.1
59.05006	4.0
65.03934	3.3
67.05509	44.9
69.03427	6.3
69.07071	55.3
69.32603	19.4
69.33022	5.3
71.04981	4.7
71.08635	29.8
79.05487	33.9
81.07064	100.0
83.04993	22.2
83.08617	33.0
83.78741	2.8
85.10180	14.8
91.05485	42.7
93.07050	69.0
95.04962	9.0
95.08611	76.3
97.06536	19.1
97.10174	19.6
98.21008	12.0
99.11735	3.2
103.05455	3.1
105.07043	85.1
107.08604	74.8
109.06525	22.2
109.09473	5.1
109.10162	63.8
111.08105	5.0
111.11749	15.3
117.07014	7.5
119.08591	61.2
121.06507	10.3
121.10152	38.6
123.08073	11.4
123.11717	19.8
125.09620	6.9
125.13300	3.8
128.06189	3.2
129.07011	6.8
131.08591	31.2
133.10150	40.9
135.08055	10.3
135.11703	23.6
137.09607	11.8
137.13258	3.8
139.11198	4.5
141.06970	4.8
142.07820	5.1
143.08553	19.9
145.10139	43.8
147.08032	5.4
147.11707	40.3
149.09633	21.9
149.13277	10.9
151.11203	8.9
153.09229	3.7
155.08568	9.2
157.10179	18.4
159.07999	3.7
159.11716	29.7
161.09621	5.7
161.13252	12.2
163.11246	6.8
163.14853	6.4
165.12749	15.7
167.10683	5.5
169.10152	8.2
171.11662	17.0
173.09557	3.8
173.13272	17.9
175.14844	8.6
177.12805	3.8
183.11723	10.7
185.13246	10.1
187.14853	9.3
189.12735	5.9
189.16420	6.5
193.12068	3.7
195.11813	4.9
196.12410	3.4
197.13310	7.2
199.13103	3.8
199.14825	10.1
201.12862	5.2
201.16400	6.8
208.12509	4.0
209.13223	4.9
210.36397	2.7
211.14856	4.7
213.16389	5.1
215.14368	5.0
223.14786	6.2
225.16383	8.5
227.14279	4.6
227.17949	6.0
243.17572	3.4
245.19012	4.6
251.17928	4.4
255.21182	5.5
257.18909	6.2
265.19482	4.8
279.20975	5.2
283.20566	4.6
297.22089	4.7
301.21643	3.7
369.35123	4.5
397.38281	12.1
415.39413	28.4
467.42096	6.1
493.44138	12.5
511.45239	15.5
531.49493	25.3
549.50275	59.2
567.42444	5.0
567.51282	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.9
55.05521	30.6
57.07083	34.8
67.05513	47.2
69.03436	9.6
69.07068	48.1
69.31554	15.2
69.31985	18.2
71.08636	35.5
79.05502	36.5
81.07059	100.0
83.04981	5.6
83.08624	25.6
85.10169	13.1
89.02238	4.3
91.05470	47.4
93.07047	66.7
95.04965	6.9
95.08607	79.5
95.34153	3.8
97.06533	11.6
97.10153	21.0
98.20795	6.9
105.07023	64.7
107.08596	95.2
109.06517	15.0
109.10161	48.0
111.08116	5.0
111.11714	13.4
113.38691	3.7
115.05503	3.8
117.06985	9.7
119.08587	52.0
121.06495	10.3
121.10161	49.0
123.08064	17.4
123.11701	21.0
125.09591	12.4
129.06993	6.7
131.08566	30.6
133.10150	47.9
135.08043	5.6
135.11673	25.0
137.06013	7.7
137.09630	7.0
137.13248	5.7
139.11145	4.5
142.07765	4.9
143.08527	16.7
145.10133	41.7
147.11691	29.1
149.09598	13.3
149.13275	9.8
155.08505	6.2
157.10144	20.6
159.11690	30.0
161.13278	17.2
163.11168	5.4
163.14861	6.9
167.10709	6.7
169.10114	11.8
171.11665	17.0
173.13268	25.8
175.14830	9.1
183.11664	10.0
185.13235	10.7
187.14839	11.4
189.12814	6.3
189.16386	5.0
191.14314	5.2
197.13280	13.8
199.14873	11.7
201.16344	4.9
203.14458	4.9
209.13411	4.6
213.16374	6.8
215.14288	4.7
223.14771	7.7
225.16273	6.1
241.19469	5.2
283.20593	9.7
286.10245	5.3
286.27426	7.0
359.36566	4.2
385.38303	7.7
531.48975	13.9
542.09235	4.3
549.50146	51.3
567.42126	7.0
567.51105	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	568.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
52.66689	0.2
53.03942	0.8
55.01878	0.4
55.05520	0.3
56.05034	0.2
57.03432	0.7
58.32246	0.2
61.02921	1.0
67.05502	0.3
69.03433	4.9
70.06596	2.2
71.04992	0.5
71.51425	0.3
72.08147	0.8
73.02921	0.8
78.03033	0.3
78.03458	4.1
79.04228	0.4
79.05491	0.5
80.05013	2.3
81.03420	5.2
81.07053	0.4
83.05001	0.2
84.04508	0.6
84.08150	1.0
85.02907	9.4
86.09701	1.2
87.04480	0.5
91.03941	0.4
91.05486	1.1
93.07050	0.6
96.04502	1.7
97.02892	3.7
97.06505	0.4
99.04460	0.7
102.05505	0.3
103.05460	0.5
105.07034	0.6
105.49826	0.2
106.02917	21.0
107.04953	0.8
109.02885	4.9
109.06513	0.2
110.07159	0.4
110.44148	0.2
111.04426	0.3
115.05421	0.2
117.03361	0.3
117.07019	0.5
119.04961	0.2
119.08582	0.4
120.08121	0.4
121.06507	0.7
122.03674	0.2
123.04408	0.4
124.03957	100.0
125.04271	0.4
125.05975	0.5
127.03925	2.9
129.10249	0.6
131.04955	0.5
131.08543	0.3
133.06464	0.2
133.10146	0.4
134.05925	0.2
135.04395	0.2
136.07568	0.3
137.05988	4.6
138.06389	0.3
143.07101	0.3
145.02853	0.7
145.04967	1.1
145.06271	0.3
145.10139	0.2
147.04401	0.4
147.11652	0.3
149.06003	0.7
151.03925	0.3
151.07529	0.4
154.08699	0.3
157.10153	0.2
159.11681	0.3
161.05977	0.7
163.03891	0.5
163.06207	0.2
163.07549	0.4
164.07002	0.2
165.05434	0.3
166.05009	0.5
166.08537	0.2
167.07083	2.2
173.05930	0.3
175.07555	0.6
177.05460	1.2
187.07599	0.2
191.07094	0.3
193.08774	0.2
196.06075	0.4
201.05489	0.4
205.08646	0.3
213.12257	0.2
217.08464	0.2
232.06062	2.5
235.13269	0.2
250.07132	5.1
268.08163	70.7
269.08450	0.4
330.13174	0.2
358.12939	0.2
394.11520	0.7
406.22180	1.8
426.15353	0.6
430.13351	1.5
503.34369	0.2
532.19733	0.4
550.19397	0.3
555.64520	0.2
568.19678	0.2
568.27649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92641	2.6
53.03929	6.4
55.01873	3.5
55.05511	30.2
57.07079	40.8
64.34877	2.3
64.80753	2.7
65.03933	5.4
67.05510	35.1
69.03420	8.0
69.07071	53.0
69.37805	2.2
69.82388	6.3
69.82782	6.0
71.04987	6.4
71.08627	33.7
77.82417	2.4
79.05498	36.3
81.07057	100.0
83.04984	9.5
83.08616	24.2
85.06541	4.2
85.10194	15.2
91.05486	45.1
93.07046	64.4
95.04972	11.9
95.08609	83.1
97.06525	14.6
97.10172	21.3
99.08134	3.3
105.07030	68.3
105.07693	4.8
107.07878	5.4
107.08597	90.5
107.12266	2.6
109.06517	18.5
109.10158	53.0
111.08105	6.9
111.11722	12.8
115.05465	3.1
117.07004	14.7
119.08585	60.2
121.06504	10.6
121.10150	51.0
123.08064	18.3
123.11711	16.3
125.09663	17.9
125.13249	3.7
128.06233	5.5
129.06982	7.6
130.07780	4.5
131.07712	4.0
131.08586	34.5
133.10141	50.4
135.08035	9.5
135.11661	18.4
137.09598	8.2
137.13258	5.6
139.11192	5.8
141.07005	5.2
142.07782	7.4
143.08589	16.9
144.09360	4.2
145.10133	50.7
147.11700	43.1
149.09628	11.0
149.13245	11.1
151.11226	6.4
155.08531	9.7
156.09377	7.4
157.10132	26.0
159.08101	3.5
159.11694	31.1
161.09752	4.4
161.13264	14.3
163.11188	7.4
163.14827	6.6
165.12782	5.4
167.10709	6.5
169.10147	13.6
171.11714	18.5
173.09692	3.2
173.13278	25.1
175.11250	6.2
175.14841	10.1
177.12740	4.8
177.16339	2.7
181.10036	7.0
182.10939	2.9
183.11812	14.5
185.13255	14.2
187.14845	11.6
189.12761	4.2
191.14288	7.7
195.11752	5.7
197.13239	12.3
199.14929	12.9
201.16341	8.1
203.14371	5.4
209.13319	11.5
211.14859	7.2
213.16393	7.6
215.14276	4.2
215.17955	4.7
223.14841	8.2
225.16463	3.9
227.18077	3.8
237.16409	5.0
239.17952	5.0
241.19626	4.6
255.21027	3.7
265.19553	5.1
271.20605	3.1
271.64017	2.6
273.42239	2.8
279.21048	7.3
279.37213	3.0
283.20605	8.8
297.22089	5.0
338.25989	3.9
345.35309	3.3
354.46735	2.8
357.34869	2.9
385.38388	8.6
397.38138	5.9
399.39685	3.9
415.39114	4.6
423.39951	2.8
425.41299	3.1
463.43005	3.2
475.77856	2.9
490.44781	2.9
493.44955	3.1
499.88593	3.6
531.49463	16.0
549.50323	57.3
567.42285	5.1
567.51343	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	565.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39901	7.7
55.05513	41.1
57.07088	39.3
64.94607	9.1
67.05508	71.3
69.03429	22.2
69.07070	51.2
70.71098	9.5
70.71445	18.1
71.05021	11.4
71.08630	40.5
78.65831	7.4
79.05475	40.2
81.07072	100.0
81.38440	7.7
81.38937	8.0
83.05001	11.5
83.08617	34.9
85.06525	13.6
85.10182	25.2
90.34540	9.0
91.05482	33.8
93.07034	65.0
94.13032	7.3
95.08607	77.5
97.06523	13.5
97.10171	21.9
105.07047	78.0
107.08592	71.5
109.06511	9.8
109.10169	85.0
111.11736	8.9
113.17330	7.5
119.08586	89.4
119.86552	8.6
121.10132	33.3
123.08076	35.8
123.11741	10.9
125.09566	8.8
129.07021	13.3
131.08565	39.6
133.10143	57.2
135.08073	11.6
135.11713	20.7
143.08575	25.9
145.10162	47.0
147.11687	33.1
149.09669	20.1
155.08621	14.8
157.10135	39.4
159.11720	33.2
161.13214	13.1
163.11206	13.0
163.64449	9.6
163.73993	8.6
169.10158	14.8
171.11705	16.5
173.13300	23.9
175.14925	9.5
181.10254	12.4
183.11754	14.4
185.13290	14.2
187.14842	10.7
189.16438	8.7
197.13242	25.0
199.14813	18.6
207.11700	10.6
211.14825	11.7
213.16461	13.3
223.14948	10.5
229.14397	8.3
235.14812	11.4
409.88403	8.9
467.37558	64.0
547.48535	37.4
565.41248	16.1
565.49609	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	567.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54377	0.9
71.28397	2.0
73.96848	1.1
75.11442	0.9
76.86956	1.1
118.57321	0.9
151.73042	1.2
216.98886	1.5
235.00092	4.2
240.98930	7.2
256.96744	1.2
258.99997	28.9
260.00092	1.3
261.03317	1.9
264.98981	2.2
267.82968	1.1
274.97849	1.8
277.01041	19.2
278.01138	1.3
282.99994	97.7
284.00244	3.6
284.99942	2.4
298.97894	2.2
301.01053	100.0
302.01297	3.3
303.00934	2.8
316.98959	3.0
318.98795	2.1
319.02194	3.8
324.02658	1.2
359.00479	2.1
383.00262	2.8
398.94772	2.1
401.01126	10.7
407.00580	4.8
425.01163	32.5
426.01721	1.3
443.02319	56.9
444.02603	3.9
445.02393	2.4
460.99982	2.3
466.03906	2.8
482.84018	1.3
500.98145	3.7
525.00781	1.3
549.01245	39.2
550.01190	1.5
567.02429	58.3
568.02380	2.3
585.00507	5.4
590.04175	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19655	1.3
51.97142	1.3
53.03941	2.3
55.01873	1.9
56.05013	1.2
65.03939	7.2
67.05511	2.5
69.03441	1.9
70.06594	3.0
71.04957	1.3
71.51994	2.3
72.08137	1.5
73.02909	1.3
78.04714	2.3
79.05499	9.0
81.07056	1.7
85.02908	1.9
86.09734	1.8
89.03910	1.8
90.25185	1.2
90.27869	1.2
91.05482	13.5
93.03411	4.3
93.07047	3.3
94.04180	1.4
95.01330	1.3
95.04955	3.5
95.08607	2.5
97.06563	1.3
100.11249	1.8
103.05515	5.8
105.07030	13.1
106.04165	2.7
107.04964	10.3
110.03676	6.2
111.04428	5.9
115.05453	6.2
117.03349	2.5
117.07031	1.7
118.04193	2.6
118.09635	1.4
119.04964	9.1
119.08568	3.3
120.08129	1.2
121.06533	3.0
122.03664	2.5
123.04423	6.2
123.50069	1.3
124.05202	3.4
125.05988	8.5
128.06219	3.9
129.06963	9.4
130.04163	2.0
131.04916	4.8
131.08589	1.8
132.05711	4.1
133.02827	2.7
133.06511	7.7
135.04376	1.6
137.05994	19.6
137.38374	1.2
138.03096	2.0
144.05687	2.3
145.02873	4.4
145.06464	2.8
147.04411	14.3
147.08032	3.4
149.06001	5.6
151.03978	1.8
151.07581	4.3
152.04692	2.6
153.05475	38.5
156.05684	1.9
159.08041	8.3
160.05145	2.6
161.05998	15.2
163.03848	2.1
163.07515	2.9
165.05458	2.3
167.07051	100.0
168.05664	1.8
171.08051	1.8
172.05235	2.2
175.07553	22.9
177.05481	9.7
178.07808	2.2
179.07036	9.5
179.08479	2.2
181.04915	1.9
181.06419	1.3
181.08588	3.0
184.05141	1.5
185.06042	2.0
186.06758	1.5
187.07535	22.4
189.05457	7.9
189.06944	2.1
189.09111	3.1
190.07713	2.3
191.07004	7.1
191.08574	2.8
199.07550	7.6
202.07819	5.2
203.08557	4.6
205.06464	2.7
206.07303	3.3
207.06416	3.0
207.08119	2.2
209.08046	1.6
215.06903	1.9
215.08768	2.0
216.07722	2.4
217.06482	1.5
217.08621	2.2
218.05496	1.5
218.07182	6.2
219.08040	7.8
220.08881	4.0
221.05931	2.5
221.09607	4.7
229.08569	1.9
231.08118	4.5
232.08858	2.0
233.05980	2.1
233.09702	3.0
234.06715	4.2
235.07515	5.1
236.08331	3.3
237.09216	2.5
245.06000	1.5
246.06876	3.4
247.07526	7.4
248.08353	4.9
249.09125	9.2
250.09842	2.6
251.06950	1.4
251.10695	4.9
259.07559	2.4
260.08322	3.5
261.05478	3.8
261.09073	6.1
262.06274	2.2
262.09991	2.3
263.06989	3.9
263.10626	2.7
264.07800	4.6
265.08548	5.9
266.09549	1.7
268.82645	1.2
275.07086	4.5
276.07791	10.1
277.08636	6.7
278.09494	4.3
279.10226	6.1
280.10794	1.4
281.08624	1.9
281.11734	9.0
283.09506	1.3
288.07663	2.2
289.08585	5.0
291.10052	3.8
292.07358	2.5
292.10867	1.1
293.08075	5.7
293.11688	2.6
294.08798	1.9
303.42599	1.3
304.07254	1.7
305.08188	3.0
306.08765	2.8
307.09601	17.5
308.10382	4.1
309.11246	8.9
319.09714	10.8
321.11276	7.8
323.12750	7.2
326.11462	2.5
329.10324	1.6
337.10629	2.0
339.12302	55.9
339.16425	2.7
341.13843	19.9
351.12299	27.2
353.13922	8.6
369.13223	2.2
567.20642	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01875	2.8
57.03439	2.1
61.02925	1.9
67.05497	0.5
68.99783	1.2
69.03430	10.3
69.43829	0.7
69.44223	2.2
70.06600	2.1
71.04984	1.7
72.08153	0.8
73.02907	2.2
79.05499	1.4
81.03416	9.6
83.01340	0.4
84.04506	0.7
84.08128	1.0
85.02904	25.4
86.09701	1.0
87.00829	11.2
91.03952	0.6
91.05478	1.3
93.07062	0.6
95.04951	1.1
97.02896	11.9
98.20818	0.7
99.00729	0.4
99.04456	4.2
103.03943	1.5
103.05513	0.4
105.01871	8.1
105.07034	1.9
107.04955	100.0
109.02879	8.0
110.07156	0.5
111.04415	0.6
115.03881	0.4
115.05446	0.5
117.01862	1.1
117.03357	0.5
117.07009	0.8
119.04977	0.7
119.08614	0.4
120.08125	0.5
121.06483	3.2
122.62882	0.3
123.04366	0.3
127.03914	14.9
127.69132	0.4
129.01836	1.7
129.07076	0.5
129.10239	0.8
131.04930	3.5
133.02840	0.6
133.06490	16.6
137.05952	2.3
137.34586	0.3
144.05701	0.6
145.02904	0.7
145.04968	8.0
145.06490	5.6
147.02884	0.7
147.04445	0.5
147.08041	6.9
149.05975	2.0
149.09633	0.6
151.03935	0.7
151.07596	0.9
157.03339	0.3
157.06509	2.2
159.02905	5.5
159.08124	0.9
161.09615	3.3
167.07010	2.7
169.06520	0.7
171.02864	0.4
171.08070	1.3
173.05957	2.9
173.09631	1.1
177.05353	2.0
178.05750	0.5
181.04942	1.5
185.09627	0.8
187.11177	16.4
189.03960	2.8
197.09596	0.4
199.07628	1.0
205.12302	0.8
211.11130	1.3
213.04042	0.5
215.07089	1.0
217.08536	0.6
229.12224	0.5
231.04962	3.3
241.08551	0.6
257.11685	0.4
281.15350	10.8
299.16409	3.3
305.15402	2.2
317.06619	0.9
317.17590	0.6
323.16507	0.4
325.15524	0.3
340.45206	0.4
347.16541	2.3
359.58075	0.4
371.16397	0.7
381.12561	0.5
387.14362	0.7
389.17328	1.3
403.13910	0.3
462.27014	1.2
565.20972	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18688	1.2
55.01871	4.0
59.04970	1.3
61.02925	1.7
69.03436	4.3
70.06600	13.2
71.01370	3.1
71.51686	2.1
72.08157	5.2
73.02922	5.1
75.04486	7.0
79.05505	1.7
81.03419	4.8
83.01353	4.6
84.04514	2.1
84.08150	6.2
85.02916	5.8
86.09707	6.2
89.03956	2.0
91.05495	8.2
95.04959	1.6
97.02894	14.3
101.02383	7.2
102.05540	1.5
105.07028	2.8
107.04956	5.0
107.28188	1.6
108.04487	2.6
109.06505	1.6
110.07199	4.0
111.04436	4.8
115.05498	2.5
117.03405	4.2
119.04935	13.0
120.08138	2.7
122.03703	1.6
124.05219	2.3
125.02377	1.3
127.03940	2.7
129.05493	4.1
129.10214	2.9
130.04134	2.6
131.04926	2.1
133.02867	1.5
133.06496	1.9
136.07623	2.6
137.05980	26.3
143.04877	1.9
145.02846	7.2
145.06528	2.0
147.04454	8.8
149.06035	3.6
150.06802	2.5
151.03940	1.6
151.07576	2.4
158.03615	1.9
161.06010	4.0
162.06761	3.5
163.03961	4.9
165.25534	1.5
167.07063	6.7
173.05988	9.2
175.03862	7.3
177.05498	12.4
179.07042	3.2
180.07852	2.9
185.06201	1.9
186.03189	6.9
189.05479	2.3
189.07027	2.2
193.07060	1.7
199.08763	1.6
201.05473	100.0
203.07123	3.2
205.06488	3.6
206.07233	3.5
207.06499	2.0
211.08679	10.3
213.05524	2.4
217.06375	3.2
221.06180	1.6
222.06793	2.0
222.08977	2.0
223.08820	3.0
225.10167	8.6
231.06604	4.9
233.06032	4.7
234.06744	9.9
235.07619	2.3
237.09155	3.7
239.11902	5.2
241.09659	1.6
245.06055	3.9
247.07452	1.6
249.09084	3.3
250.06369	2.3
251.08281	2.1
253.09721	10.8
262.06342	7.9
263.07190	2.1
265.08716	6.3
267.11386	9.7
273.05460	1.4
277.08597	7.5
279.06509	2.1
287.05414	6.5
290.05731	8.3
292.07373	3.2
293.08209	6.4
295.10742	9.3
305.08102	17.5
307.09747	4.3
313.11816	15.7
313.15033	1.9
322.08554	2.9
323.10440	2.8
325.10849	6.9
337.07101	2.6
337.10773	15.8
355.11780	77.4
373.13989	13.6
533.17651	3.6
547.19220	6.7
555.35199	1.4
565.20306	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18688	1.2
55.01871	4.0
59.04970	1.3
61.02925	1.7
69.03436	4.3
70.06600	13.2
71.01370	3.1
71.51686	2.1
72.08157	5.2
73.02922	5.1
75.04486	7.0
79.05505	1.7
81.03419	4.8
83.01353	4.6
84.04514	2.1
84.08150	6.2
85.02916	5.8
86.09707	6.2
89.03956	2.0
91.05495	8.2
95.04959	1.6
97.02894	14.3
101.02383	7.2
102.05540	1.5
105.07028	2.8
107.04956	5.0
107.28188	1.6
108.04487	2.6
109.06505	1.6
110.07199	4.0
111.04436	4.8
115.05498	2.5
117.03405	4.2
119.04935	13.0
120.08138	2.7
122.03703	1.6
124.05219	2.3
125.02377	1.3
127.03940	2.7
129.05493	4.1
129.10214	2.9
130.04134	2.6
131.04926	2.1
133.02867	1.5
133.06496	1.9
136.07623	2.6
137.05980	26.3
143.04877	1.9
145.02846	7.2
145.06528	2.0
147.04454	8.8
149.06035	3.6
150.06802	2.5
151.03940	1.6
151.07576	2.4
158.03615	1.9
161.06010	4.0
162.06761	3.5
163.03961	4.9
165.25534	1.5
167.07063	6.7
173.05988	9.2
175.03862	7.3
177.05498	12.4
179.07042	3.2
180.07852	2.9
185.06201	1.9
186.03189	6.9
189.05479	2.3
189.07027	2.2
193.07060	1.7
199.08763	1.6
201.05473	100.0
203.07123	3.2
205.06488	3.6
206.07233	3.5
207.06499	2.0
211.08679	10.3
213.05524	2.4
217.06375	3.2
221.06180	1.6
222.06793	2.0
222.08977	2.0
223.08820	3.0
225.10167	8.6
231.06604	4.9
233.06032	4.7
234.06744	9.9
235.07619	2.3
237.09155	3.7
239.11902	5.2
241.09659	1.6
245.06055	3.9
247.07452	1.6
249.09084	3.3
250.06369	2.3
251.08281	2.1
253.09721	10.8
262.06342	7.9
263.07190	2.1
265.08716	6.3
267.11386	9.7
273.05460	1.4
277.08597	7.5
279.06509	2.1
287.05414	6.5
290.05731	8.3
292.07373	3.2
293.08209	6.4
295.10742	9.3
305.08102	17.5
307.09747	4.3
313.11816	15.7
313.15033	1.9
322.08554	2.9
323.10440	2.8
325.10849	6.9
337.07101	2.6
337.10773	15.8
355.11780	77.4
373.13989	13.6
533.17651	3.6
547.19220	6.7
555.35199	1.4
565.20306	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
52.26347	0.6
53.03926	1.7
53.66940	0.6
55.01830	0.5
67.05495	1.2
70.06572	1.7
70.63311	1.2
70.63680	1.1
78.04695	2.3
79.05490	2.2
81.03347	0.6
81.07033	1.4
83.46325	0.6
85.02856	0.8
86.09713	0.9
91.05495	5.6
93.07047	5.0
94.04215	0.6
95.04962	2.2
95.08620	1.2
103.05466	5.4
105.04510	1.0
105.07024	1.1
106.04146	0.9
107.04948	2.7
115.05415	0.9
117.03473	0.7
118.04116	0.8
120.05731	2.6
121.02834	0.6
121.06517	21.4
122.03648	0.7
123.04425	5.9
123.43011	0.6
124.05225	1.8
129.07028	1.0
131.04907	3.3
132.05702	0.7
133.06483	0.9
137.05991	2.1
143.05029	0.8
145.02831	1.2
145.06467	1.2
151.03883	0.9
152.04680	2.0
153.05455	0.7
158.03658	1.8
161.06013	1.2
167.07053	55.7
172.05193	0.8
173.06009	3.3
175.03879	1.1
177.05490	3.0
181.04861	0.9
187.07559	1.2
189.07013	1.0
191.07062	4.8
191.08554	1.0
192.07883	2.1
198.03146	1.3
201.05469	15.7
205.06459	0.8
213.05484	22.1
215.07082	1.5
217.06546	0.7
218.07291	1.8
219.08087	3.6
221.05986	1.7
221.09624	0.7
230.08076	1.5
231.06480	8.9
232.44939	0.7
234.06783	1.8
235.07445	2.9
236.08281	1.1
246.06824	2.6
247.07591	4.1
248.08299	1.6
249.05554	2.8
249.09265	1.0
250.06296	1.1
253.08630	0.7
257.05908	1.3
260.04681	1.4
261.05536	1.5
261.09006	0.7
262.06302	1.1
263.07050	3.5
264.07947	4.7
265.08524	1.4
267.10211	0.7
269.17532	1.5
273.05542	0.6
274.06290	2.1
275.06970	6.1
275.19891	0.6
276.07870	1.1
277.05029	2.4
277.08624	2.3
279.10123	2.1
280.07211	1.1
281.08264	0.6
288.04193	2.2
289.04843	2.1
289.08118	1.1
291.06381	1.3
292.07306	6.3
302.05841	1.3
303.06519	14.3
304.07162	1.3
305.04483	3.8
305.08218	1.8
306.08691	1.0
307.09689	6.0
309.07730	0.7
309.11188	0.9
317.08231	0.8
320.06732	9.8
321.07623	0.7
322.08475	1.0
323.09055	1.3
324.10049	1.2
325.10919	0.9
333.11340	1.4
335.09149	34.4
336.09604	0.7
337.07126	0.8
337.10785	2.8
338.13953	2.1
339.12253	1.5
349.10565	0.8
349.23688	0.9
350.13626	0.9
352.09497	2.4
355.11804	2.2
367.11798	100.0
369.12991	0.7
385.12628	1.4
440.14951	1.6
472.17615	5.1
492.20215	2.4
504.20175	7.1
522.21167	2.2
564.22351	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	562.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	15.0
56.42498	11.7
60.08155	12.3
67.05504	58.9
69.07069	22.8
69.36474	100.0
79.05501	14.4
81.07065	52.2
81.26077	12.6
83.08599	17.5
86.09707	49.1
93.07042	17.7
95.08614	28.8
115.81104	13.8
121.10152	38.4
136.93071	16.9
152.07109	23.0
154.33298	13.1
154.94167	27.6
161.13307	19.7
164.95392	20.5
172.70123	13.6
172.95221	14.0
175.14655	17.9
177.09424	13.8
181.76620	12.0
184.07147	15.8
184.68965	12.4
194.17688	12.6
235.39320	13.3
245.22711	56.9
263.23730	93.4
298.95993	13.1
307.75616	13.0
337.27374	49.8
351.80847	14.9
383.26462	14.7
399.74258	15.4
411.15298	15.4
503.23993	61.2
521.21588	17.5
562.31458	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41651	0.2
55.07430	0.2
63.02392	0.6
63.52665	0.2
69.03430	0.5
70.06603	1.3
72.08167	0.4
78.04701	0.6
79.05476	0.4
81.07056	0.3
84.08152	0.6
85.02899	0.4
86.09711	0.6
89.03918	8.7
91.05495	0.6
93.07053	0.3
97.02943	0.3
103.05495	0.6
105.07047	0.3
106.04176	0.6
107.08575	0.3
110.07191	0.4
117.03384	25.3
120.08067	0.5
128.42131	0.2
129.10225	0.4
134.03627	2.4
135.04420	1.4
137.05972	0.4
145.02849	53.8
146.03183	0.3
147.04482	0.3
149.05986	8.4
151.03941	0.2
158.06087	0.3
162.03131	0.5
163.03931	0.7
165.18446	0.2
167.07069	0.4
177.05472	100.0
178.05913	0.4
186.05527	1.3
247.89397	0.3
285.07516	0.8
292.38141	0.3
369.11639	0.4
545.16174	0.4
563.17267	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
53.03945	0.2
55.01858	0.1
62.01581	0.2
63.02385	0.4
78.04712	0.4
79.05486	0.2
81.03384	0.3
85.02885	0.2
86.09714	0.2
89.03917	9.0
91.05479	0.8
96.74151	0.2
103.05472	0.4
106.04165	0.8
107.08553	0.2
117.03380	24.3
119.04879	0.2
121.06512	0.3
124.05198	0.2
134.03625	2.1
135.04417	1.2
137.52010	0.2
145.02847	52.5
145.28087	0.2
146.03232	0.2
149.05986	8.2
151.03871	0.3
158.05998	0.3
161.05959	0.3
162.03072	0.2
163.03894	0.6
167.07018	0.3
177.05469	100.0
178.05762	0.6
179.03426	0.3
186.05496	1.6
220.39220	0.2
229.62790	0.2
247.06073	0.2
279.06436	0.5
297.07632	1.2
311.08987	0.6
315.08551	0.2
369.11661	0.2
497.38147	0.2
545.16321	0.3
563.54089	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05506	1.9
57.03441	2.4
57.07080	8.9
59.04995	0.9
66.91756	1.0
67.05503	3.2
67.64967	0.8
69.07059	3.4
70.90658	1.8
74.18962	0.8
79.05471	2.5
81.07048	6.8
85.06539	6.1
91.05462	1.5
93.07050	3.7
95.08612	4.3
105.07033	1.6
107.08597	5.1
109.06520	4.5
109.10168	2.8
111.04433	1.7
111.08076	1.1
119.01857	0.9
119.08554	2.7
121.10134	3.0
123.08067	5.3
123.11743	1.5
125.06041	1.0
131.08638	1.3
133.10143	2.0
135.08008	4.9
135.11668	2.1
137.05980	7.4
137.09596	1.1
147.11700	2.2
149.09619	1.5
149.13182	1.2
151.07555	3.7
151.11160	1.2
152.08308	3.1
153.12698	1.0
161.13211	1.5
165.09138	3.8
165.12808	3.7
166.09982	0.9
175.11264	1.1
177.12747	1.3
179.10678	1.8
179.14374	1.5
185.13235	0.9
193.12207	1.2
194.13110	2.4
207.13863	4.9
235.17113	0.9
238.97792	0.9
263.20053	2.6
319.26233	4.7
322.23767	1.9
329.24744	1.1
335.25876	1.2
347.25830	55.5
365.26920	26.7
378.26523	1.7
390.29977	2.0
393.29880	1.7
403.28525	1.3
421.29504	100.0
422.29892	1.3
439.30548	23.6
476.24228	2.3
501.26346	4.9
518.80475	0.9
519.27179	9.7
544.29865	1.2
562.23212	1.7
562.31415	27.8
569.84229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
53.03933	0.8
55.01862	0.4
57.03435	0.7
61.02929	0.4
63.02365	0.5
68.99780	0.4
69.03429	4.1
70.06590	1.3
70.84156	0.3
70.84494	0.3
71.04995	0.5
72.08161	0.3
73.02914	0.6
74.06087	0.2
77.03912	0.2
77.48449	0.2
78.04680	0.3
78.32381	0.2
79.05472	0.2
81.03423	3.2
84.08150	0.5
85.02439	0.4
85.02910	5.6
86.09697	0.6
87.00833	2.0
89.03915	5.6
91.05470	1.7
93.07035	2.7
95.04955	0.4
97.02881	2.0
99.04478	0.9
100.20256	0.2
103.03949	0.5
103.05470	2.3
105.01868	0.8
105.07043	0.2
106.04193	0.2
109.02876	2.7
117.03381	16.7
119.04911	0.3
120.08083	0.3
121.06502	25.7
127.03917	3.4
129.01816	0.4
129.10233	0.3
134.03619	1.2
135.04433	0.5
138.09135	2.5
145.02846	47.8
147.04337	0.2
149.05978	5.8
151.07527	0.3
155.74490	0.2
159.02924	0.9
159.80269	0.2
162.03043	0.2
163.03951	0.6
164.07034	0.2
177.05469	100.0
178.05844	0.5
179.04710	0.2
186.05531	1.0
194.08154	0.5
231.04994	0.3
300.14346	0.3
314.13858	39.8
385.16449	0.2
386.14450	20.7
431.41458	0.2
562.19092	2.2
562.32373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.2
51.89632	0.2
53.03939	0.8
55.01865	0.4
57.03429	0.7
61.02927	0.4
63.02384	0.6
65.07479	0.2
65.79770	0.2
68.99790	0.4
69.03093	0.2
69.03434	3.2
69.15223	0.2
70.06587	1.3
70.76894	0.5
71.04980	0.3
72.08140	0.4
73.02908	0.6
78.04713	0.3
81.03424	3.3
84.04509	0.3
84.08146	0.6
85.02438	0.3
85.02909	4.2
86.09709	0.6
87.00825	2.0
89.03917	5.4
91.04005	0.3
91.05482	1.7
93.07045	2.1
95.04953	0.5
97.02901	1.4
99.04464	1.1
103.03943	0.4
103.05460	1.8
105.01873	0.5
105.06979	0.2
106.04200	0.3
109.02886	2.6
110.07166	0.2
111.04514	0.2
111.08233	0.2
117.03383	15.6
119.04916	0.2
120.08089	0.4
121.06507	21.4
127.03922	3.3
129.01881	0.4
134.03612	1.2
135.04428	0.6
138.09122	1.8
142.66515	0.2
145.02849	48.3
146.03268	0.2
149.05980	5.4
151.07484	0.3
154.77589	0.2
159.02913	0.8
163.03853	0.5
163.07564	0.2
164.07111	0.3
177.05473	100.0
186.05556	1.1
187.05978	0.4
194.08176	0.3
314.13864	29.3
329.82181	0.2
386.14453	17.3
509.42892	0.2
544.16504	0.4
562.19183	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	557.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96325	1.7
55.05499	7.1
57.03431	5.3
57.07077	56.7
57.89518	1.6
60.93932	1.9
67.05510	13.9
67.41180	1.9
69.07065	10.1
69.21684	14.6
69.22092	3.0
71.08636	38.2
75.04486	3.7
78.08643	2.0
81.03386	2.1
81.07058	19.6
83.08620	14.7
85.10178	23.6
87.04472	2.7
89.06026	16.4
93.07030	2.7
93.52776	1.8
95.08616	32.8
97.10168	6.5
99.08086	2.7
103.75247	1.9
109.02878	2.1
109.10146	15.7
111.11718	2.1
123.11697	6.4
125.07003	2.2
133.08627	9.0
137.13257	3.8
161.54349	2.0
177.11270	3.0
188.02254	1.9
191.00044	3.3
239.23706	38.2
257.24719	4.1
263.38574	2.2
284.63782	2.0
313.27383	100.0
331.28470	4.8
371.22888	2.7
372.23297	4.0
450.23584	2.1
557.30719	34.2
557.53107	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	560.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23420	10.7
61.58683	10.5
67.05502	63.8
70.01778	31.6
70.02197	22.3
79.05489	26.4
81.07067	49.0
93.07046	30.0
95.08607	42.7
103.46674	11.8
107.08569	18.8
109.10148	30.8
119.08588	14.0
121.10159	20.1
122.80870	13.0
123.11739	24.1
133.10007	12.4
147.11650	12.2
149.13272	20.8
163.14752	11.3
177.05400	16.7
211.76682	12.8
226.58995	11.7
243.21097	38.4
260.88040	12.3
261.22177	100.0
295.94931	14.2
335.25705	40.5
347.99231	11.5
353.26938	52.9
409.77451	13.7
507.11151	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	561.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
70.20242	0.6
70.20638	0.4
77.03929	0.3
85.02921	0.3
101.84647	0.3
105.03402	1.5
107.33224	0.3
133.82039	0.2
149.02304	0.4
152.06244	0.8
153.06989	4.7
165.06999	2.8
181.06480	3.3
193.06459	0.6
209.05986	13.8
209.43625	0.2
221.05904	0.7
237.05464	5.5
252.04152	2.3
265.04962	28.9
279.02893	0.4
280.03644	2.9
295.06009	100.0
296.06357	1.0
338.44806	0.3
561.31830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.0
57.03432	4.4
57.07079	29.2
60.11738	2.4
66.94875	2.1
67.05518	12.8
69.07063	9.7
69.22924	21.1
70.06587	10.5
71.03455	2.1
71.04977	2.7
71.08634	17.2
79.05491	11.4
81.07059	14.4
83.08608	8.3
84.08169	3.3
85.10172	8.5
86.24163	2.3
88.07641	7.7
89.06027	18.6
91.05444	2.8
93.07050	19.1
95.08608	29.3
97.02898	2.3
97.10170	3.6
98.21547	4.4
100.25880	2.1
100.46543	2.2
102.09176	4.2
104.10735	4.9
105.07072	2.8
107.04949	3.0
107.08607	14.1
109.10163	4.9
117.07004	3.3
119.08573	6.2
121.06440	2.8
121.10159	3.1
124.63634	2.3
132.10240	5.2
133.08611	11.9
135.11674	22.2
145.10129	14.3
146.11751	2.8
151.43240	2.4
163.11166	28.2
169.69443	2.5
177.11160	4.2
181.12207	4.3
227.12798	41.1
256.26395	8.7
283.15439	38.0
283.26324	44.5
300.29001	21.9
311.29343	3.0
313.27365	59.0
313.30783	4.3
368.52054	2.3
371.22739	4.9
521.38422	47.7
556.52930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26506	1.2
58.93348	1.3
67.05510	1.8
69.03443	1.5
70.06585	5.6
70.75614	3.0
72.08146	2.3
79.05488	4.2
80.05022	2.7
81.03411	1.6
82.06577	3.4
84.08124	1.5
85.02914	2.0
86.09696	3.6
91.05504	6.5
93.07045	9.7
94.06567	9.2
95.04936	1.6
95.05518	1.3
95.07359	10.2
95.08596	1.9
95.86273	1.3
96.08132	26.1
97.06532	1.6
103.05459	2.4
108.08118	19.3
109.08857	1.7
110.09689	41.5
118.06550	1.1
120.08114	29.7
122.06038	1.8
124.07596	2.3
136.07564	12.7
137.05997	2.7
138.09143	52.6
145.02823	2.0
146.06041	2.9
148.07553	10.4
154.08696	1.6
163.03864	2.6
166.08650	95.8
172.03941	2.1
177.05499	4.8
178.05675	1.6
204.06497	1.6
211.08733	2.1
213.10194	1.8
222.07457	1.2
223.08707	2.3
225.10236	6.5
227.08253	2.2
235.08652	1.4
237.10190	13.3
238.07458	1.9
238.11038	2.2
239.08244	6.1
239.11777	2.5
241.09717	6.2
246.63997	1.4
250.07202	1.5
251.08183	5.1
253.09721	16.7
254.10353	1.3
255.11292	4.1
265.09729	31.7
266.10449	2.5
267.07663	6.0
267.11267	13.4
269.09192	3.5
273.12314	1.4
281.09235	20.5
283.10770	16.1
287.10272	2.7
293.09204	19.3
294.09964	1.5
295.10742	20.5
297.12173	1.6
299.10284	6.9
301.11780	2.6
309.08597	3.8
311.10226	19.1
321.08667	10.0
324.15564	1.4
325.11771	1.4
327.09726	21.0
331.12958	2.1
339.09772	34.8
341.11255	5.3
353.11356	4.6
359.12375	40.4
371.12393	22.6
388.16437	3.4
400.16617	2.5
402.10242	1.3
410.67932	1.3
418.17520	5.5
436.18622	2.6
446.17209	10.9
448.18439	2.7
464.18222	34.4
474.16403	5.2
478.19583	2.0
492.17679	100.0
506.19168	11.4
524.20343	35.0
534.05487	1.4
557.50403	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2933
Annotation	Acrovestone
Peak:m/z	Relative Intensity
55.05498	3.1
56.96571	3.2
57.07067	9.8
67.05478	4.9
67.50806	1.4
67.52345	1.5
69.07050	4.5
71.08620	6.3
71.52221	2.4
72.74022	1.8
72.77190	1.6
79.05457	1.5
81.07051	5.2
81.72452	1.3
82.47870	1.7
93.07056	3.3
95.08611	6.9
97.10152	2.8
98.89857	1.5
98.97559	2.8
98.98460	18.2
103.23029	1.6
109.10188	3.7
120.48256	1.5
123.11739	1.8
131.00122	2.2
149.01187	2.0
155.01027	20.9
169.63937	1.6
176.29341	1.8
214.41496	1.6
235.39960	1.5
239.23708	2.5
293.05463	3.4
311.06537	2.0
313.27368	20.1
313.30746	2.0
337.20752	3.0
393.23788	2.2
474.87433	1.6
491.75839	1.6
495.18149	3.2
536.50787	2.5
542.55170	1.8
555.29309	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05507	1.7
57.03437	1.6
61.55429	1.2
69.03421	4.8
69.07084	1.4
69.37572	1.4
69.37889	10.8
70.06599	13.5
72.08152	5.2
79.05500	4.0
81.03427	1.8
81.07044	2.0
82.06558	3.6
84.04525	2.1
84.08141	4.4
85.02905	6.1
85.25603	1.5
86.09711	8.3
87.04472	3.0
87.72068	1.2
89.03899	1.3
91.04926	1.6
91.05483	20.3
93.07052	9.8
94.06572	9.7
95.04957	1.8
95.07367	9.0
95.08607	3.6
96.08141	29.2
97.02898	5.6
97.06530	1.3
103.05475	3.1
107.04940	2.0
108.08117	17.1
110.07162	3.0
110.09692	45.4
115.03948	3.7
117.03416	3.7
120.08119	32.0
121.06514	2.7
122.06045	1.7
124.07597	3.2
129.10233	3.3
133.04955	3.5
135.04468	1.4
136.07599	12.2
137.05956	2.5
138.05551	1.8
138.09151	54.2
145.02863	6.0
146.05968	2.0
148.07587	9.7
149.05963	2.0
150.09161	1.7
152.07040	2.7
152.08223	1.5
164.07112	2.3
166.04962	2.7
166.08656	100.0
167.07040	3.3
172.03944	2.3
177.05495	11.2
199.08748	1.3
204.06506	3.2
211.08714	2.7
223.08675	3.7
225.10229	5.7
227.08183	3.0
237.10228	16.8
238.10902	2.0
239.08168	8.9
239.11783	3.3
241.09674	5.1
250.08784	1.4
251.08133	5.5
252.08998	1.8
253.09705	18.5
255.07944	2.0
255.11284	4.1
265.09741	31.1
266.10565	3.1
267.07666	5.2
267.11310	10.0
269.09344	2.8
279.07611	3.1
281.09216	18.9
283.10818	20.3
287.10327	4.0
293.09198	24.7
294.09662	1.8
295.10773	23.6
297.08774	1.6
297.12228	1.9
299.10275	5.4
301.12045	2.4
309.08798	4.2
311.10312	19.0
313.11838	1.8
321.08664	10.2
325.11789	3.5
327.09799	19.5
330.12750	1.6
331.13077	2.6
339.09778	30.5
341.11383	5.2
343.12848	1.6
353.11038	6.5
359.12381	45.5
359.16867	2.4
360.12802	2.5
371.12378	22.7
372.13382	1.9
388.16595	3.1
388.83795	1.4
418.17517	6.3
428.16370	1.8
436.18912	2.4
446.17120	8.4
448.18546	5.5
464.18216	38.3
466.19809	1.5
474.16492	6.7
478.19656	1.6
492.17728	99.0
506.19165	12.8
524.20313	39.4
556.26849	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.5
59.59900	0.2
67.01864	0.4
67.05492	0.3
67.11745	0.2
69.16244	2.3
70.06594	0.7
72.08155	0.3
74.84525	0.3
75.51295	0.2
77.03951	0.5
79.05511	0.3
81.07069	0.4
84.04459	0.3
84.08141	0.5
86.09696	0.3
89.03905	0.3
90.70224	0.3
91.05486	0.6
93.07040	0.4
95.04945	0.3
95.08661	0.3
98.97587	1.0
105.03385	1.4
105.04556	0.2
105.07039	0.5
107.08602	0.5
108.05225	0.3
109.10192	0.4
109.11189	0.2
116.98582	0.3
117.03380	0.7
119.08585	0.4
121.06580	0.4
126.66245	0.2
131.04951	0.3
132.98108	0.4
137.06027	0.4
145.02878	1.2
150.99069	0.3
152.06244	0.5
153.07004	4.4
160.01636	0.3
165.07005	3.7
167.07054	5.4
168.07341	1.5
177.05490	2.1
178.05804	0.6
181.06465	2.4
193.06493	0.7
197.05939	0.4
201.05490	0.3
209.05992	12.1
221.05916	0.5
237.05482	4.9
252.04181	2.2
265.04980	30.5
280.03638	2.0
295.06021	100.0
296.06497	0.6
378.18784	0.3
392.99805	0.9
405.26495	0.2
406.95868	0.3
411.00745	2.0
424.05890	0.3
454.21503	0.3
555.27753	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	555.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26556	1.6
52.31528	1.6
54.40798	1.5
55.01879	2.3
65.24280	1.6
67.05506	2.4
70.63669	4.6
77.03938	2.1
79.05486	1.9
81.07026	2.0
83.01347	1.8
84.49101	2.1
85.02911	14.1
86.09718	3.9
91.05476	6.8
92.42516	1.5
93.07022	2.1
95.04952	1.8
98.97565	2.0
103.05489	3.6
105.07072	2.4
107.04951	4.8
113.02371	26.5
118.04087	1.9
119.08636	1.9
121.06504	12.3
131.04973	9.7
132.05699	10.6
133.02887	2.1
134.03647	2.8
137.06010	2.5
147.04385	2.3
148.05212	12.4
149.05971	11.2
160.05222	3.2
161.06009	4.5
163.03925	1.9
165.05479	3.6
167.07111	8.0
169.01338	55.5
172.05205	3.2
175.03914	2.2
175.07501	2.4
177.05470	6.5
180.07779	2.7
182.09415	1.8
191.07185	2.3
192.07852	11.9
193.08626	2.7
194.08180	3.4
197.00813	39.7
200.04791	4.6
201.00487	2.0
202.01047	2.9
212.04744	1.8
215.01823	36.8
215.03690	2.0
216.02684	2.6
243.02927	1.7
246.05219	3.2
248.60098	1.8
274.04636	4.5
284.03180	12.2
285.03918	3.7
299.05521	17.7
302.04279	5.0
314.04291	2.2
315.05038	1.8
317.06589	17.0
327.04971	18.3
345.06042	98.1
347.07684	3.2
371.07593	4.3
392.78705	1.8
392.99319	1.8
411.00961	2.7
505.11261	10.5
525.13770	7.7
531.36353	1.7
537.14044	31.5
555.14966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
67.05508	1.4
69.39193	6.2
72.65469	0.8
82.28101	0.7
95.08581	1.1
98.21589	1.4
99.03671	0.9
141.72253	0.8
198.97479	5.7
201.57147	0.8
377.26624	4.4
553.30011	100.0
554.30890	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01864	4.1
56.05025	1.5
57.03431	4.0
57.36702	1.5
61.02915	2.7
68.99787	4.0
69.03094	2.4
69.03436	24.9
70.06597	18.5
70.32243	1.4
71.01356	1.4
71.04979	3.1
71.51230	2.0
72.08140	6.3
73.02911	3.8
79.05504	5.5
81.03424	25.2
84.04504	3.3
84.08143	7.3
85.02437	3.1
85.02908	36.7
86.06078	2.2
86.09701	5.7
87.00831	12.0
91.05472	6.5
93.07058	2.5
95.04984	3.9
97.02903	13.2
98.97558	1.9
99.04490	7.4
102.05528	1.9
103.03948	2.0
103.05470	4.1
105.01847	5.4
105.07027	4.6
106.06583	3.2
106.68262	1.5
107.04955	22.9
109.02880	15.8
110.07166	3.0
115.05446	4.6
116.07133	2.4
117.07024	4.7
119.04971	3.5
120.08109	4.3
121.06503	11.7
123.04425	23.1
127.03079	2.6
127.03931	23.2
129.01834	3.5
129.10233	4.6
131.04929	2.1
133.02879	3.3
133.06509	26.8
134.05983	2.5
135.04427	42.2
135.08063	4.2
136.07571	6.7
137.05980	32.5
139.03891	16.2
145.02895	2.0
145.04979	7.1
145.06505	9.3
147.04401	2.1
149.05942	2.2
151.03931	11.2
152.07072	47.1
152.10825	1.6
153.05479	13.2
154.16399	1.6
159.02910	3.2
161.06105	3.4
163.03915	16.2
164.04713	2.3
164.07187	2.2
165.05489	3.8
167.07065	2.8
174.09038	2.0
175.07533	1.6
177.05482	4.2
179.07060	2.7
179.08534	3.0
181.04987	2.3
183.08055	2.0
197.09802	3.4
199.07593	1.7
207.08078	2.3
210.06683	1.6
217.08305	1.7
225.09103	11.2
229.04930	3.6
238.06358	1.9
239.07111	2.2
241.04863	2.2
253.08595	13.1
255.06538	14.0
256.07336	35.9
271.09662	71.3
287.74194	1.8
288.12274	5.7
289.10703	66.8
306.13361	100.0
309.11298	2.0
311.28210	1.8
348.14539	2.8
396.14734	2.8
468.18588	5.2
474.17892	1.8
492.19058	1.9
497.47470	1.5
510.19797	7.4
518.16687	2.6
536.17548	5.4
554.18628	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86118	2.5
54.16266	2.3
55.05495	8.2
56.05018	4.1
57.07073	3.9
58.13506	2.7
59.36198	2.4
60.04517	4.2
60.28541	2.5
67.05489	11.8
69.07066	10.3
71.52879	3.9
74.09701	2.7
79.05493	12.6
81.07063	13.8
82.06568	4.9
83.08611	7.0
91.05482	11.9
93.07066	15.0
94.06565	19.7
95.07357	9.5
95.08583	15.0
96.08128	6.8
99.31100	2.7
105.07037	11.5
107.08588	12.0
109.10164	11.4
116.98521	2.7
119.08573	15.3
120.08953	3.6
121.10137	11.6
122.09680	3.0
123.11736	2.8
131.08539	3.5
131.28380	2.8
133.10132	10.2
135.11697	7.8
136.12012	2.8
145.10139	5.8
146.10445	5.4
147.11795	2.7
157.10117	5.3
159.99774	3.5
165.09126	5.5
169.10127	3.5
171.11763	4.2
175.14783	3.5
185.13237	2.9
233.22591	4.5
240.17073	3.2
245.22705	3.9
250.25319	9.6
262.25293	100.0
272.25735	6.0
280.26419	10.2
311.29465	8.0
312.53302	3.2
318.88724	2.8
368.59802	3.5
504.47440	5.4
516.47754	12.4
534.48834	16.6
552.35883	6.2
552.42883	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	552.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	0.6
69.73333	1.2
69.73740	0.7
70.06593	1.4
79.05502	1.0
81.03414	1.2
82.06585	0.4
84.08154	0.8
85.02904	1.1
86.09679	0.7
89.03931	0.5
91.05482	1.3
93.07048	1.7
94.06574	1.3
95.07340	0.9
95.08587	0.4
96.08134	3.3
100.11291	0.6
108.08116	3.3
109.60775	0.4
110.09687	5.2
117.03384	2.1
117.07043	0.5
120.04465	3.1
120.08110	4.6
121.06511	0.8
123.04403	0.5
123.06837	0.5
124.07602	0.8
136.07605	3.1
137.05995	1.3
138.09140	7.7
138.10115	0.7
145.02875	3.5
145.06554	0.6
148.07581	1.0
149.05977	0.6
150.09122	0.8
152.07095	1.3
152.10768	0.6
153.01810	3.0
154.02208	1.3
164.07101	1.0
166.08649	7.8
167.07080	2.5
171.02997	0.5
173.06044	0.8
177.05484	7.9
194.08229	0.8
195.02975	0.5
197.10789	0.9
201.05457	2.8
209.10829	0.5
211.12267	0.8
212.09486	0.7
213.10179	0.5
221.10742	0.5
223.08693	1.1
223.12381	0.8
224.09468	0.7
225.10249	3.4
226.11024	0.8
227.11839	0.9
233.10989	0.5
234.78987	0.4
235.08823	0.8
235.12228	0.5
236.09456	1.1
237.10245	6.6
238.11079	1.2
239.08206	1.1
239.11783	2.7
241.09778	0.9
245.12898	0.5
248.09323	1.2
249.10243	4.7
250.11095	1.8
251.08202	2.4
251.11804	4.6
252.09171	0.4
252.12642	1.2
253.09711	3.4
254.10493	0.6
255.11264	0.8
261.10226	2.4
262.11017	0.8
263.08307	0.5
263.09137	0.5
263.11850	2.8
264.08804	0.4
265.09775	7.1
266.10550	1.8
266.14188	0.4
267.11359	4.0
268.11920	0.5
269.09235	0.9
269.12726	0.4
271.10861	1.7
273.12283	0.6
277.09863	1.9
278.10648	3.2
279.07739	2.9
279.11343	8.1
280.12070	1.5
281.09286	1.6
281.12659	2.0
282.10004	0.8
283.10818	5.9
287.14020	1.0
289.09732	4.9
291.11249	2.0
293.09238	1.6
293.12888	3.0
294.10080	4.0
294.13275	0.7
295.10916	2.6
296.11542	1.9
297.08817	0.5
297.12347	1.3
298.09467	0.5
299.10370	1.7
303.08661	1.5
304.08969	2.8
306.09872	0.9
307.10767	1.6
308.11853	0.8
309.12360	1.9
311.10272	5.5
311.14029	2.3
312.11139	2.6
313.11823	1.3
314.12836	1.4
317.09058	0.6
321.12482	0.7
323.10449	0.8
323.13901	1.0
324.11111	2.3
325.11884	1.5
326.12622	3.9
327.13409	7.3
328.14548	0.6
335.10263	7.2
336.11047	0.6
337.08105	0.5
337.11893	1.1
339.13409	43.8
340.10443	2.8
342.16513	0.4
346.14737	0.4
352.10706	0.9
353.11072	1.1
354.12131	4.3
355.12894	10.6
362.11093	0.4
367.12888	26.6
371.12393	0.5
386.14767	0.6
387.15546	1.0
420.57114	0.4
442.17755	0.5
447.18112	0.6
451.21136	0.7
460.18762	1.7
479.20654	1.5
488.18173	11.1
492.21219	5.2
496.78171	0.4
512.04785	0.4
520.20837	100.0
521.21283	1.1
522.21985	0.6
552.23346	10.3
552.45508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01560	0.6
53.03935	2.7
55.01871	0.9
55.05506	1.3
56.96548	0.7
58.41587	0.6
65.03934	1.7
69.03419	1.2
70.06606	4.2
72.08144	1.8
78.04688	1.3
79.05516	3.2
81.03423	53.2
81.07047	1.8
84.04521	0.8
84.08140	2.1
85.02897	1.3
86.09697	2.5
89.03925	1.6
91.05483	19.2
93.07045	1.0
94.04227	0.7
94.19289	0.6
95.04978	4.0
97.02891	1.0
98.97559	0.7
100.11265	2.0
103.05473	5.6
105.03344	0.7
105.07030	2.2
106.04147	1.9
107.04968	5.8
107.08617	0.9
109.06488	1.4
110.07185	0.8
111.04434	1.2
115.05455	9.1
117.03374	2.5
117.07045	5.7
118.04166	0.8
119.04961	12.0
119.08564	1.0
120.08140	1.5
121.06519	3.0
122.03652	1.8
122.14999	0.6
123.04440	5.5
124.05198	2.2
128.06219	0.7
129.07016	1.1
129.10274	1.2
131.04948	8.2
132.05711	0.9
133.06488	2.1
133.39456	0.6
134.03685	0.8
135.04504	0.7
136.05215	1.4
136.07567	0.7
137.05991	18.4
140.04707	1.3
143.04948	4.2
144.05707	2.2
145.02847	5.2
145.06503	9.1
146.03674	4.1
147.04407	1.2
147.08092	0.9
149.05997	3.0
150.06721	1.0
151.03915	1.8
151.07556	26.5
152.04767	1.4
153.05469	1.3
154.98405	0.6
155.04939	0.8
155.07104	1.5
156.05685	1.2
160.05202	9.9
161.06004	11.5
163.03929	1.4
163.07562	6.1
165.05493	1.8
166.08626	1.2
167.07054	100.0
168.07391	0.8
168.10204	1.0
172.05330	3.6
173.05988	7.2
175.07558	35.9
176.04643	0.6
176.07045	0.9
177.05498	10.0
177.09088	1.4
179.07103	1.0
181.05014	1.6
181.06476	0.8
182.15399	1.8
183.04254	0.7
183.06645	0.9
186.03123	0.6
187.07559	24.2
190.06238	2.2
191.07036	3.5
193.08633	1.1
194.08148	12.3
194.09912	0.7
201.05492	7.1
201.09248	1.0
203.07022	2.0
205.06714	1.2
205.08557	5.5
206.07336	0.8
207.08125	1.4
210.14864	1.0
213.05501	1.9
217.08612	3.5
219.08128	1.1
221.09586	0.8
229.45868	0.8
230.08061	0.7
231.06398	3.4
233.08151	2.4
234.06819	2.8
235.07661	1.7
235.09662	36.6
237.09123	0.7
241.08614	0.8
246.11266	0.7
247.07501	1.2
249.05522	1.2
249.09079	2.9
251.07104	1.0
263.07269	1.5
264.07935	0.9
265.08746	0.8
266.09326	1.3
267.10159	1.6
274.10764	2.0
275.06998	0.8
276.07971	0.8
277.05780	0.7
277.08609	4.2
279.06564	0.6
280.07358	1.1
281.11829	1.7
289.10760	2.7
291.06583	0.8
292.07401	1.1
294.08755	0.8
295.09738	2.0
297.07819	0.6
303.06476	1.4
305.04816	0.8
307.09628	0.9
309.11237	5.7
310.12350	0.6
311.09308	0.8
320.06781	1.6
323.09183	1.4
326.11591	2.2
327.12381	0.9
335.09262	3.0
337.10886	1.2
337.23849	0.7
339.08572	1.1
339.12161	4.3
341.13855	11.3
355.11771	6.0
367.11807	5.9
368.15054	0.9
380.14914	0.7
385.12756	1.6
398.16043	1.4
400.17352	1.5
428.17242	4.1
464.99963	0.7
520.20428	1.0
522.21497	2.9
534.21124	2.5
552.22540	13.7
552.30701	1.5
552.41180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	1.0
65.03932	3.2
65.39865	0.9
65.98947	0.9
67.05519	1.0
68.87485	0.8
69.07053	0.8
70.06587	2.0
71.52225	1.5
73.17317	0.8
78.04707	2.0
79.05484	4.2
81.03405	3.3
81.07053	2.4
82.21723	0.9
85.02898	1.3
86.09702	1.7
87.00845	4.4
89.03888	2.0
91.05488	27.5
93.07030	1.7
95.04958	4.0
97.02895	9.3
103.05456	2.8
105.01839	2.0
105.07036	2.0
106.04198	1.0
107.04966	8.1
109.10134	1.2
114.62997	0.9
115.03881	0.9
115.05442	3.0
117.03357	4.6
117.06987	2.2
119.04946	17.1
121.06487	2.3
123.04431	3.9
124.05192	2.5
128.06229	1.3
131.04912	5.2
132.05682	2.0
133.06451	1.3
135.04523	1.8
136.05151	2.3
137.05994	4.4
140.04671	3.5
143.04898	1.6
145.02870	11.8
145.06502	4.1
147.04376	1.4
147.07996	1.2
149.05980	3.1
150.06670	1.1
150.58728	1.2
151.03894	1.3
151.07545	22.2
152.04564	1.9
153.05457	4.4
155.07010	5.4
158.03656	4.2
160.05205	1.4
161.06053	1.7
165.05348	1.7
167.07047	63.7
168.10217	1.4
170.03577	1.1
173.06017	8.8
175.07562	2.8
177.05481	25.7
179.06989	1.0
181.04945	2.5
184.07225	2.0
186.03078	5.5
187.07565	3.4
189.07008	2.0
190.07809	1.7
191.06989	5.1
191.08556	2.2
192.07796	3.8
198.03166	1.7
201.04112	3.8
201.05481	77.7
203.07118	2.7
204.05798	1.5
205.06468	2.9
206.07283	1.6
207.06392	1.2
207.08064	4.4
208.08867	1.1
210.09039	1.0
213.05473	37.9
216.04082	1.6
217.06514	2.0
218.07278	3.8
219.04874	1.4
219.08055	6.2
220.05173	3.0
221.05991	5.3
221.09570	1.0
222.06648	1.2
229.06357	1.3
231.06520	20.7
232.05397	1.6
233.06036	3.2
234.06747	3.3
235.07567	10.0
235.09634	1.2
236.08356	4.4
237.05412	1.6
237.09067	1.3
245.06047	1.7
246.06763	5.8
247.07524	10.2
248.04765	3.0
248.08362	2.5
249.05479	6.9
250.06110	2.3
251.07047	3.3
252.07848	2.7
257.05942	2.4
260.04727	4.2
261.05466	4.3
261.08978	2.0
262.06244	2.3
263.04486	1.6
263.07028	12.9
264.07846	8.9
265.08575	3.9
267.10196	4.0
273.05481	1.4
274.06259	4.8
275.07010	9.9
276.07828	3.0
277.04932	7.3
277.08597	2.8
278.09247	1.6
279.06857	1.6
279.10156	3.4
280.07352	2.3
281.08167	2.5
288.04178	3.3
289.04956	4.3
289.08276	2.2
291.06607	5.2
291.09540	1.1
292.07291	14.8
293.08066	3.2
294.08932	1.5
295.09604	7.7
302.05731	3.5
303.06534	25.0
304.07367	3.2
305.04428	9.0
305.07968	2.6
306.08698	1.8
307.06082	1.5
307.09634	10.3
308.06796	1.9
309.07721	4.4
309.10883	1.6
312.09985	1.4
317.08112	2.1
319.06168	2.2
320.06796	23.0
321.07501	2.6
322.08353	2.2
323.09149	6.0
324.09851	2.0
325.06836	1.4
325.10730	1.5
327.12238	2.7
335.09125	57.8
337.06967	2.4
337.10690	7.4
339.08624	1.3
339.12296	1.8
340.44174	1.1
341.13806	1.2
349.10791	1.2
352.09354	2.8
355.11761	96.7
367.11780	100.0
385.12701	13.3
522.21338	22.6
552.21838	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	551.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01868	3.3
65.03936	0.7
69.03430	1.0
70.06580	4.6
70.67504	1.3
70.67847	1.5
72.08146	2.5
79.05494	7.9
81.03403	1.2
84.04499	2.0
84.08130	1.7
85.02899	3.0
86.06068	2.9
86.09707	3.4
90.04665	0.8
91.05482	5.8
93.07074	0.7
94.74210	0.6
95.04991	1.1
95.08558	0.8
97.02885	0.8
103.05473	22.5
105.03413	1.2
105.07034	73.4
107.04949	2.1
107.08584	1.1
107.61007	0.6
110.07141	1.5
115.05456	16.7
117.07009	0.8
118.04169	9.9
119.04931	2.6
120.08099	1.9
121.06481	0.9
123.99340	0.7
130.04185	0.7
131.04935	15.4
132.05717	1.3
133.02827	1.3
133.06494	56.8
135.04376	0.9
136.07643	0.8
137.05977	4.0
143.04947	1.6
143.06044	5.1
146.03647	0.8
147.04416	3.9
148.05202	6.9
149.05962	0.8
161.05984	100.0
162.06386	1.3
163.03899	1.3
163.07535	11.9
164.07024	0.7
167.07056	2.5
173.06085	0.9
176.04669	1.2
177.05467	1.7
179.07069	1.7
191.07039	68.7
193.08606	41.5
209.15390	2.6
227.16458	1.2
305.11325	1.7
348.24710	0.8
357.10855	1.9
428.39120	0.7
540.92346	0.8
551.20941	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1035
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03938	0.7
55.01869	0.5
56.05030	0.3
57.03429	0.6
61.02917	0.7
68.99789	0.8
69.03435	6.2
69.71296	0.8
70.06598	1.8
71.01363	0.2
71.04986	0.5
71.06938	0.2
72.08141	1.1
73.02911	0.8
79.05495	0.3
79.83707	0.2
81.03421	4.3
83.01415	0.2
84.04509	0.4
84.08140	1.0
85.02438	0.4
85.02908	4.7
86.09695	0.9
87.00833	4.8
87.04472	0.2
88.51958	0.2
91.03049	0.2
91.03942	0.9
91.05481	0.4
93.03404	0.2
93.07014	0.3
95.04986	0.2
97.02900	2.5
98.20763	0.4
99.04453	0.9
101.20831	0.2
102.05501	0.2
103.05446	0.3
104.28889	0.2
105.01867	2.0
105.07055	0.2
107.04948	0.4
109.02886	2.6
111.00777	0.9
111.04444	0.4
112.70103	0.2
117.01860	1.3
120.08102	0.6
121.02882	0.9
121.08385	0.2
123.04462	0.3
127.03921	4.4
129.10219	0.5
131.04936	0.4
133.06433	0.2
135.04454	0.3
136.07594	0.3
137.02348	2.8
137.05963	0.7
145.02864	0.7
145.04935	1.2
145.06488	0.2
149.02287	0.2
149.05952	0.2
151.03897	0.3
151.07486	0.2
153.01826	4.0
159.02910	3.9
159.04266	0.3
159.13889	0.2
161.05957	0.7
163.03915	0.6
165.01845	1.8
167.07004	0.5
173.05951	0.5
177.04033	0.3
177.05490	1.0
183.02888	1.0
183.04391	0.3
187.03893	0.3
189.03867	0.2
191.06984	0.4
193.08641	0.3
195.02759	0.2
201.05492	2.0
205.04858	0.2
219.06494	0.3
228.04195	0.3
229.04967	4.5
229.06804	0.2
231.05020	2.5
247.06067	0.7
255.11313	0.3
257.04401	2.5
274.04703	0.7
275.05557	0.3
285.03976	1.4
303.04996	100.0
304.05307	0.4
315.04874	0.3
357.10529	0.3
389.13370	0.6
416.87335	0.2
551.15204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
56.05045	1.6
57.03419	0.4
57.07076	0.7
58.06588	1.9
58.06832	0.2
59.07383	0.3
60.08165	16.4
67.05500	1.1
69.07068	1.7
69.86179	0.7
69.86593	0.8
70.06572	0.5
71.07374	6.8
79.05474	0.4
81.07066	1.3
83.08636	1.3
86.09708	52.2
93.07037	0.5
95.08597	1.6
97.10183	0.6
98.21550	0.3
98.98477	4.7
104.10747	95.9
107.08585	0.5
109.10144	0.5
112.46876	0.3
125.00011	28.4
133.14017	0.3
135.11662	0.4
163.01558	0.8
166.02686	0.4
184.07344	100.0
186.02917	0.3
223.63771	0.3
240.46957	0.3
244.81032	0.3
258.11011	0.9
367.32001	0.7
473.30798	0.4
532.37653	8.7
550.38690	41.8
551.39233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05508	0.4
57.03431	1.1
60.64087	0.3
61.02935	0.6
65.76496	0.4
68.95588	0.3
69.01118	0.4
69.03429	4.9
69.93575	0.4
70.06602	0.5
70.07647	0.7
70.08038	0.8
71.04061	0.4
73.06564	3.5
79.05487	0.5
81.03413	0.6
85.02907	9.9
86.97599	0.5
87.04474	3.4
91.03988	0.4
91.05496	0.8
93.07073	1.0
97.02899	6.3
99.04476	0.5
101.06052	0.4
103.05460	5.9
107.04949	1.9
109.02889	0.8
115.03930	10.5
120.08108	100.0
121.08466	0.6
127.03922	2.5
131.04944	3.0
133.04970	9.8
137.05971	1.3
145.04964	6.5
149.05934	1.7
154.08566	0.5
163.05998	3.5
166.08646	43.6
177.03328	0.4
217.10713	0.5
223.11691	1.8
231.04358	0.7
253.12828	6.8
259.08151	1.0
295.10248	0.8
318.35300	0.4
325.73102	0.4
385.08615	0.7
389.09973	0.4
511.66171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.2
55.01873	2.6
55.05511	10.3
57.03446	17.2
57.07086	3.3
59.05001	4.4
65.03963	1.7
67.05509	28.9
69.03435	65.5
69.07070	11.6
70.06574	3.0
71.51923	2.4
72.08161	1.9
73.02937	2.5
75.04488	3.2
77.03909	2.0
79.05501	17.7
79.58263	1.8
81.03434	4.4
81.07061	58.7
83.08620	3.7
85.02912	48.2
86.09718	3.1
87.04474	47.1
91.03964	3.1
91.05489	23.6
93.07052	38.4
95.04974	5.9
95.08611	78.2
95.33865	1.7
95.73188	1.8
97.02899	58.8
97.06519	4.9
97.10172	4.0
99.04450	3.8
103.05492	2.4
105.04552	2.7
105.07040	63.2
107.04986	2.1
107.08603	63.0
109.02883	1.8
109.06525	2.4
109.10161	61.2
111.04470	2.6
111.08084	2.7
111.11720	1.9
115.03936	74.6
116.20367	1.7
117.03359	3.1
117.06997	3.5
119.08590	56.3
121.06527	3.9
121.10139	22.7
123.08121	2.3
123.11707	12.5
125.09591	2.2
127.03938	5.7
129.07027	2.9
131.08598	5.7
133.04973	69.7
133.10123	30.8
135.08081	2.1
135.11697	15.0
137.05995	5.3
142.50224	1.6
143.08636	2.6
145.02879	5.9
145.04953	4.4
145.06517	2.3
145.10184	10.4
146.14139	1.9
147.11693	51.7
149.13226	8.6
149.64642	1.9
151.03896	2.6
151.07564	4.3
151.11182	5.0
157.10168	2.4
159.11728	5.4
161.13283	20.1
163.14874	9.5
167.06952	3.7
169.04802	1.9
171.11729	4.5
175.14830	10.2
177.05466	12.0
177.16496	2.4
181.05031	2.5
189.16417	5.9
199.14908	2.4
201.05496	2.8
201.16411	7.1
203.17973	100.0
205.19666	1.9
213.16348	3.4
215.17903	2.1
221.19009	11.3
245.19049	3.2
254.40822	1.9
259.08209	3.3
263.07068	2.6
281.19144	2.4
295.10370	2.8
299.20041	3.6
317.21124	2.3
323.09119	2.4
335.22208	8.0
359.26007	2.0
383.07391	2.8
392.31259	2.3
400.64603	1.9
550.20398	2.7
550.28912	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	549.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
51.75474	1.3
52.71039	1.3
52.81224	1.5
53.03944	4.8
55.05511	26.9
57.07078	35.8
65.03939	2.1
67.05508	28.0
69.03427	5.2
69.07067	31.2
69.94193	6.4
71.04985	1.9
71.08637	36.2
76.93291	1.3
79.05494	26.7
81.07058	62.3
83.04983	3.9
83.08622	22.9
85.06550	2.3
85.10186	17.4
91.05485	32.3
93.07048	47.2
95.04971	4.4
95.08607	53.2
97.06551	4.8
97.10168	18.0
99.11701	1.6
99.56158	1.2
101.60145	1.6
103.05432	1.7
105.07032	58.7
107.08593	51.4
107.09315	2.8
109.06525	7.2
109.10160	28.8
111.08078	4.2
111.11729	8.2
115.05429	2.2
117.07005	12.1
119.08582	49.0
121.06512	3.0
121.10143	29.2
121.81119	1.3
123.08091	2.4
123.11695	9.8
125.09639	18.9
128.06226	4.7
129.07008	9.3
130.07802	4.5
131.08577	32.4
133.10129	31.8
135.08080	2.6
135.11687	12.8
137.13266	4.5
141.07008	2.3
142.07755	6.5
143.08556	23.6
144.09351	5.4
145.10129	48.7
147.11687	21.6
149.09642	2.7
149.13297	9.4
151.11218	2.5
155.08594	8.9
156.09340	6.2
157.10144	32.4
158.11011	2.1
159.11702	41.7
161.09717	3.0
161.13281	9.6
163.14844	3.3
165.07004	1.6
165.12778	1.6
167.08597	3.7
168.09384	3.1
169.10109	14.2
169.11137	1.2
170.10970	1.9
171.11658	16.5
173.13277	21.5
175.11235	2.3
175.14789	6.3
177.16402	2.1
179.08556	2.1
181.10115	5.2
182.10947	3.4
183.11685	13.0
185.13306	11.7
187.14824	8.5
189.12856	1.7
189.16446	1.8
194.10977	1.9
195.11684	6.3
196.12523	2.4
197.13228	13.9
199.14796	10.3
201.16428	5.2
203.14384	2.4
208.12289	1.4
209.13223	10.7
211.14668	8.8
213.12743	1.7
213.16429	6.3
215.14366	1.8
215.18080	3.5
217.15901	2.3
223.14928	6.5
224.15672	1.5
224.72142	1.5
225.16415	7.1
227.14343	2.2
227.17955	2.8
237.16359	2.6
239.17993	3.6
241.15895	2.2
241.19547	2.9
251.18066	3.0
253.19495	1.8
255.21327	2.2
257.19092	1.9
265.19540	5.6
267.21286	2.7
279.21127	6.0
283.20593	5.1
297.22186	4.1
335.27222	1.7
343.33704	3.8
357.35223	3.2
383.36575	3.6
385.38315	2.7
409.38330	5.4
411.39706	2.4
423.39990	3.1
425.41507	2.2
449.41272	1.6
455.42453	1.6
465.44528	4.1
467.53641	1.5
475.42725	2.4
491.46338	2.7
521.51062	1.5
531.49304	16.5
549.37250	5.6
549.50330	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
55.05517	18.7
57.07077	31.5
61.74710	3.2
64.17881	3.3
67.05508	27.4
69.03438	5.8
69.07059	32.5
71.08640	21.0
71.52724	5.2
79.05486	19.9
81.06602	3.7
81.07062	64.3
81.79613	3.5
83.08622	21.2
85.10175	13.9
91.05487	33.6
91.76886	3.3
93.06586	4.5
93.07053	50.0
95.04952	4.8
95.08605	48.7
97.10181	15.9
105.07033	44.6
107.08605	44.1
109.06511	6.5
109.10161	29.3
111.08084	7.5
111.11715	7.9
115.05425	5.0
117.07019	6.9
119.08594	39.1
119.09408	6.0
121.06497	5.8
121.10137	23.7
123.11708	10.8
125.09631	6.1
129.06999	9.3
130.07759	4.2
131.08592	21.8
133.10139	34.9
135.08040	6.3
135.11676	15.8
142.07779	3.9
143.08569	14.6
144.64070	3.3
145.10117	32.5
147.11670	20.7
149.09650	7.0
149.13254	9.0
152.27344	3.7
155.08548	7.3
157.10132	19.3
159.11682	35.6
161.09679	3.5
161.13271	11.4
169.10123	10.3
171.11618	10.4
173.13263	20.6
175.14841	7.2
175.59546	3.7
182.10736	4.5
183.11710	10.9
185.13254	9.1
187.14771	9.2
195.11569	6.6
197.13181	8.8
199.14772	10.5
201.16389	5.2
209.13194	4.4
211.14810	5.3
213.16449	3.6
217.15970	4.1
225.16359	5.8
237.16487	4.6
277.38095	3.5
297.22211	5.0
305.32443	4.9
385.38516	5.2
397.38141	4.0
411.39752	5.9
531.40442	4.4
531.49005	17.8
549.42438	25.6
549.50214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
53.12242	0.7
55.01868	1.1
55.05520	0.7
56.05019	1.1
57.03420	0.8
61.80350	0.6
65.03941	1.4
66.04731	0.7
67.05499	1.6
69.03442	4.5
69.07061	1.2
70.06257	1.0
70.06599	11.5
71.51775	0.7
72.08163	5.9
73.02894	0.8
74.06104	0.8
75.59267	0.6
79.05489	1.8
81.03419	1.8
81.07058	1.5
84.04533	3.4
84.08150	6.2
85.02914	8.5
86.09702	5.5
87.04446	0.8
88.04005	0.7
91.05489	4.3
93.07035	1.1
94.04195	2.3
95.04968	0.6
97.02901	3.1
99.04461	0.8
101.07130	0.7
102.05518	0.9
103.05470	6.5
105.03441	0.7
105.07043	4.1
107.04961	2.0
109.02907	1.5
109.06516	0.9
110.07191	1.6
115.05473	2.7
117.03376	0.9
117.07034	1.5
118.04165	1.7
118.95977	0.6
119.04953	1.9
119.08578	1.3
120.08115	2.2
121.06517	1.0
122.03657	6.3
123.04434	0.8
123.08071	1.3
125.06013	1.0
127.03922	1.9
129.10229	4.4
131.04929	7.3
133.06464	2.4
135.04478	1.2
136.07567	1.3
137.05991	100.0
142.33920	0.6
143.04961	4.2
145.02852	2.0
145.04950	1.8
145.06485	2.8
147.04448	1.7
147.11693	1.5
148.05197	3.6
149.06027	1.4
151.03923	6.4
151.05032	1.0
151.07532	2.3
153.05473	1.2
155.05969	0.9
155.08235	0.8
161.05983	5.5
163.03938	3.8
163.07542	6.2
164.07144	0.7
165.05519	1.2
165.12781	0.7
167.07068	11.1
171.06482	0.8
173.05983	4.7
175.07533	1.6
177.05493	3.7
181.04962	16.9
191.07050	29.6
193.08612	0.7
195.06520	1.7
203.07042	1.4
205.08534	3.1
207.13812	3.1
209.15402	0.7
213.12651	0.8
221.08058	0.7
225.14839	1.2
232.11290	0.6
233.08061	1.3
235.09692	2.5
246.14975	1.6
327.04236	0.7
357.13364	12.3
387.14502	7.3
457.75671	0.8
519.18683	0.9
549.19617	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.1
55.05514	27.1
56.27323	1.8
57.07081	31.6
58.59961	1.9
59.34503	1.9
65.03939	3.9
67.05513	29.7
69.07069	37.6
69.51366	11.9
71.08637	27.8
78.44684	2.1
79.05502	17.5
81.07063	55.8
83.04990	29.9
83.08630	25.0
85.06541	5.0
85.10191	12.4
91.05486	28.5
93.07055	37.7
95.04966	7.2
95.08615	47.2
97.06532	4.8
97.10164	14.9
98.20744	2.0
105.07037	42.8
107.08610	34.1
109.06529	13.9
109.10166	32.0
111.08085	3.3
111.11740	10.0
115.05411	3.2
117.07020	11.6
119.07800	3.9
119.08591	42.3
121.10149	23.8
121.37099	2.2
123.08039	2.5
123.11735	11.3
125.09645	3.0
125.13277	4.6
128.06201	3.7
129.06979	11.2
130.07838	4.3
131.08578	27.3
133.10132	31.4
135.08080	7.7
135.11708	13.2
137.09648	3.2
137.13271	4.2
141.07039	4.6
142.07817	6.9
143.08594	19.3
145.10127	38.4
147.08063	3.0
147.11696	30.0
149.09656	29.3
149.13225	9.6
155.08530	11.0
156.09367	4.1
157.10141	25.7
159.11717	28.0
159.12923	3.4
161.09660	2.3
161.13220	12.5
163.11258	3.1
163.14876	4.6
165.06879	2.4
167.08643	4.2
168.09399	2.6
169.10159	11.9
170.10973	2.9
171.11665	16.8
171.50795	2.0
173.13298	15.4
175.11182	2.5
175.14848	9.2
179.08644	2.8
181.10141	4.4
183.11714	10.9
185.13293	16.0
187.14804	11.2
189.12756	5.6
189.16406	5.4
195.11736	6.0
197.13223	10.7
199.14832	12.9
201.12930	2.1
201.16425	5.9
203.18015	3.1
205.15933	5.3
208.12511	2.5
209.13292	8.2
211.14845	8.4
213.16423	6.5
215.14397	3.6
215.17860	2.9
217.16022	3.1
223.14870	7.6
225.16364	5.9
227.18088	4.3
237.16302	4.2
239.17941	3.8
241.19499	4.2
251.17928	3.9
253.19493	3.0
255.20979	2.9
257.18945	2.1
265.19571	7.7
267.21082	3.6
269.18857	2.5
279.21213	4.7
281.22623	2.4
283.20486	9.7
297.22101	3.7
345.35187	2.8
366.84195	2.1
371.36749	2.5
397.38416	7.3
425.41846	2.4
449.41425	2.3
451.42859	3.7
467.42593	4.6
475.42560	2.0
489.44986	2.2
491.46271	2.3
493.44818	2.7
521.50720	5.8
531.49304	31.8
549.37494	16.1
549.50305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1241
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
51.23864	0.1
53.03944	0.1
55.01865	0.3
55.05511	0.2
56.02642	0.1
66.01086	0.1
68.99798	0.8
69.03418	0.5
69.76727	0.7
70.00562	0.1
70.06581	0.4
71.01332	0.3
72.08131	0.2
81.03411	0.3
81.07062	0.1
84.02116	0.5
84.08135	0.2
85.02902	0.7
86.09701	0.3
87.00819	0.1
89.03896	0.1
91.05486	0.3
93.07045	0.1
95.01306	0.1
95.59958	0.1
97.02887	0.3
99.00813	1.6
99.70163	0.1
100.11259	0.4
101.40434	0.1
103.05455	0.1
105.01884	0.2
105.03409	0.1
105.07063	0.2
107.04986	0.2
107.08585	0.1
109.02862	0.5
110.76315	0.1
112.01595	1.9
114.89962	0.1
117.03373	0.2
118.04160	0.2
119.04977	0.2
127.00284	1.8
127.03933	0.6
133.02843	0.2
136.07588	0.1
137.02374	0.1
137.06003	0.6
140.01044	1.4
145.02827	1.4
145.04890	0.2
149.05939	0.1
150.13333	0.1
154.99747	0.6
159.02873	0.2
159.04449	0.2
161.05925	0.1
163.03993	0.2
165.01845	0.5
167.07066	0.4
168.00543	35.4
177.05476	1.5
179.03429	0.1
179.07050	0.1
182.15445	0.2
183.02908	3.8
183.04539	0.2
183.08052	0.2
185.06027	0.1
186.01598	16.3
186.50606	0.1
188.73257	0.1
197.05980	0.2
210.14870	0.2
215.10738	0.2
241.04968	0.4
245.08105	0.2
255.06444	0.2
258.05280	0.5
268.03635	2.4
269.04449	0.3
273.07510	0.4
283.05969	0.2
285.03879	0.4
286.04715	7.7
300.06180	0.2
301.07062	100.0
302.07501	0.8
549.12177	0.3
549.20142	0.2
549.40009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3711
Annotation	LysoPC(20:2)
Peak:m/z	Relative Intensity
55.05509	1.4
56.05031	1.6
58.06609	1.3
58.22948	0.4
60.08168	17.8
60.43801	0.4
60.94608	0.3
63.60044	0.4
66.74953	0.4
67.05509	3.1
69.07066	1.1
69.45596	2.9
70.06527	0.3
70.96946	0.4
71.07378	6.7
79.05519	0.9
81.07066	2.7
83.08624	1.0
86.09711	49.4
93.07047	0.9
95.08617	1.8
98.98468	3.5
104.10750	100.0
107.08586	0.5
109.10188	0.9
119.08505	0.4
125.00013	30.4
135.49776	0.5
159.29326	0.5
163.01602	0.9
184.07352	94.3
193.84657	0.4
258.11066	0.8
287.62939	0.4
300.89087	0.4
365.30499	0.7
474.20160	0.5
530.36176	8.7
548.37341	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	549.1243
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.48363	0.3
53.03936	0.7
55.01869	1.0
56.96561	0.4
61.02923	0.6
65.03954	2.6
68.99787	1.3
69.03418	1.7
69.94740	1.8
70.06597	0.7
71.04993	0.5
73.02903	0.6
79.05515	0.8
81.03420	2.4
82.04194	0.4
85.02906	3.3
86.09687	0.4
87.00820	1.4
89.03900	0.4
91.05489	4.6
93.03419	2.0
93.07012	0.7
95.04958	0.9
97.02888	1.3
98.97583	1.2
99.00817	1.4
99.04486	0.4
103.05471	1.3
105.03380	0.8
105.07018	1.3
106.04170	1.1
107.04959	1.0
109.02876	1.3
109.06508	0.6
110.03695	1.9
111.04431	1.9
112.01567	1.1
115.05458	0.5
117.07082	0.4
119.04951	4.5
119.08543	0.4
121.06499	1.6
123.04417	0.7
123.07997	0.4
125.06011	2.7
127.00291	1.9
127.03968	1.9
128.06248	0.5
129.07030	0.5
131.04953	1.9
133.02925	0.6
133.06508	1.0
137.06013	2.2
140.01051	0.9
145.02855	1.0
145.05061	0.5
145.06502	1.6
147.04434	2.5
149.06006	1.8
151.07532	2.4
153.05478	11.5
159.02898	0.9
159.08128	0.6
161.05980	1.7
162.06720	0.8
163.03922	0.4
163.07620	0.7
165.05507	0.4
167.07062	7.5
168.00554	31.7
171.04538	0.4
172.05156	0.5
173.05980	0.5
174.06818	3.0
175.07556	1.6
177.05446	1.7
179.07042	1.3
181.04900	0.7
181.08565	0.4
183.02863	3.2
183.04373	0.6
186.01604	13.0
186.06850	0.6
187.07552	1.5
191.06990	0.9
191.08566	0.7
202.07861	0.6
203.08728	0.5
204.07846	1.1
205.06544	0.5
205.08484	0.7
207.08116	0.5
207.84673	0.4
209.08044	2.8
214.06200	0.5
216.07841	2.4
217.08588	0.4
218.07346	0.5
219.01816	0.8
219.08104	1.8
220.08852	0.8
221.05972	0.5
229.08598	2.1
231.07898	0.5
233.09776	0.6
234.06749	0.4
235.07556	1.0
236.08354	1.0
237.02782	1.0
247.07553	1.3
248.08293	0.8
249.09151	1.3
251.10727	2.1
261.05414	0.4
261.08936	0.7
262.06235	0.5
263.07007	0.6
264.07852	2.4
265.08615	1.2
268.03674	2.2
275.07263	0.5
276.07898	0.6
277.08554	0.9
278.09537	0.6
279.10196	2.3
280.07251	0.4
283.06128	0.4
286.04730	6.6
291.10269	0.5
293.08057	0.7
294.08661	0.5
295.09738	0.5
301.07074	100.0
307.09641	8.2
308.10367	1.0
309.11206	1.4
311.12802	0.6
321.11136	1.0
323.12894	0.5
325.10840	0.6
330.89648	0.4
334.50980	0.4
339.12253	10.5
340.13138	3.8
341.13821	0.7
351.12158	1.6
352.13110	0.8
399.09631	0.6
417.15491	0.5
428.12759	0.5
434.54352	0.4
441.11182	0.5
464.20694	0.4
499.17325	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05515	19.2
57.03436	5.9
57.07077	9.8
67.05507	77.5
69.07071	28.9
69.25667	17.0
71.05005	2.3
71.08623	4.6
76.63098	2.0
79.05490	24.9
81.07057	100.0
83.04974	3.0
83.08624	19.6
85.02919	7.9
85.06551	3.5
85.10181	3.3
87.16008	1.9
91.05473	16.3
93.07040	30.2
95.01326	6.7
95.08608	78.9
97.06538	7.1
97.10152	11.8
98.20786	3.3
99.08077	3.1
104.59243	1.8
105.07030	15.9
107.08581	15.6
109.10155	40.4
111.08087	4.0
111.11718	3.1
113.02373	2.9
113.09715	2.4
119.08595	15.8
121.10155	18.1
123.11691	22.6
125.09659	3.1
127.11185	2.5
133.10120	16.9
135.11679	11.9
136.93175	6.0
137.13246	6.9
139.11188	3.1
141.01814	7.6
141.12828	4.4
147.11671	14.6
148.41949	2.3
149.13257	12.6
151.14853	5.5
154.94151	5.5
155.14302	4.4
159.70383	2.0
161.13266	15.8
163.14873	9.5
165.16371	9.8
172.95210	6.4
175.14792	10.3
179.17946	4.1
184.07440	1.9
189.16383	2.9
189.57535	2.0
228.97716	3.4
245.22632	61.4
263.23697	81.6
320.19916	2.9
337.27344	68.6
338.20718	4.8
355.28378	6.6
377.97791	2.3
474.20126	7.5
513.30408	4.8
548.23621	8.2
549.37708	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	548.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69955	1.1
55.05507	5.4
71.51740	2.4
72.08156	71.3
82.06568	1.5
84.08124	1.5
85.04029	14.0
91.05492	9.5
107.04958	5.1
117.05762	1.4
119.04949	8.9
127.08646	4.1
129.10207	2.6
130.06529	31.3
132.08093	24.1
136.07579	78.2
142.06549	2.2
144.08078	14.4
145.07581	5.3
158.08424	2.3
159.09181	100.0
160.07581	3.3
163.08701	2.5
169.07573	3.7
170.06027	7.9
171.09189	1.6
171.14909	13.9
184.11160	6.2
185.09184	1.4
186.12793	19.8
187.08691	20.0
191.08177	18.1
196.11198	5.2
197.09583	1.4
198.12703	1.9
199.08629	1.7
199.12564	2.1
199.14397	11.1
213.13857	15.0
224.10524	2.1
235.14418	7.2
241.13402	19.6
248.10675	2.0
257.99692	1.5
258.16025	38.6
260.10602	2.6
263.13855	4.5
269.12848	1.5
269.45972	1.4
277.13397	2.5
286.15497	37.5
317.18658	4.0
322.15494	18.5
332.16138	2.9
340.20258	6.3
350.14969	30.4
362.20804	12.4
368.19498	2.0
385.22345	29.7
404.19794	4.5
449.16486	1.1
449.21896	26.0
503.26471	4.4
520.29193	11.4
547.75220	1.8
548.28882	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83632	0.2
55.01866	0.3
55.38920	0.2
57.03416	0.6
60.04514	0.3
61.02907	0.9
63.02364	0.3
69.03431	2.2
70.06592	5.3
71.04979	0.4
71.45845	0.4
72.08131	0.8
73.02869	0.3
79.05471	0.9
81.03391	1.1
82.06557	0.3
84.08121	0.8
85.02903	6.0
86.06019	0.3
86.09685	0.7
89.03914	4.7
89.33834	0.2
91.03922	0.4
91.05423	0.6
97.02882	2.0
99.04453	0.5
107.04953	1.8
109.02878	0.9
110.07159	0.5
117.03385	7.2
119.04941	0.5
123.04379	1.0
127.03912	1.2
129.10223	0.3
131.08591	0.3
135.04414	15.7
137.05960	2.4
143.08582	0.4
145.02846	16.0
145.04927	0.8
147.04408	0.6
159.08012	0.6
161.05943	1.0
163.03893	100.0
164.04274	0.3
164.07021	0.9
166.83815	0.3
171.08092	0.4
175.04060	0.3
175.07533	0.4
177.09131	1.0
187.07486	0.3
189.05424	0.6
189.09109	2.4
194.11842	0.4
204.10172	1.2
206.11754	32.7
223.14400	6.4
232.09668	0.6
248.44641	0.2
249.12424	0.7
368.14990	1.0
385.17554	21.9
406.94003	0.3
511.20630	0.4
515.66522	0.3
547.22852	74.3
548.23285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.9
56.96565	14.9
59.40187	1.2
61.04182	1.3
65.32854	1.2
67.05495	2.3
69.07069	2.5
70.60114	1.3
70.60437	3.7
70.71477	1.2
72.96035	1.2
79.05505	2.1
81.07060	2.7
89.27427	1.4
95.08618	3.4
102.92625	2.6
104.10757	1.7
104.17606	1.1
105.07047	2.0
107.08624	1.4
110.97549	2.6
118.92049	7.8
128.98650	2.0
131.00162	1.5
135.11601	1.6
136.93118	42.3
154.94170	72.6
161.72110	1.2
168.50064	1.2
172.95242	79.2
177.95738	7.4
190.96297	22.6
192.95837	4.1
195.96811	12.5
210.97145	15.4
210.97490	15.3
212.98203	1.4
213.97987	2.3
228.97855	38.6
233.98389	2.6
246.98883	14.1
251.99358	5.8
260.48697	1.3
270.00397	1.4
285.00729	2.3
303.01468	1.7
317.17841	1.7
319.19443	44.7
335.18979	2.4
337.20502	51.3
337.27026	2.2
347.26581	1.5
360.22046	14.5
393.22998	1.8
399.16235	5.7
406.30316	4.6
417.17233	2.7
454.42340	1.3
455.18658	21.1
455.24112	1.7
473.19778	100.0
491.20834	23.5
496.21423	15.3
514.22723	1.4
547.23553	91.2
547.31989	3.9
548.23761	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
54.63936	0.2
55.01863	0.4
56.12151	0.2
61.02920	0.2
61.85805	0.2
63.22162	0.2
68.99796	0.7
69.03426	1.7
69.39561	0.6
69.39981	1.1
70.06589	0.2
70.90199	0.2
81.03422	1.6
81.07042	0.3
85.02910	2.5
86.09685	0.4
87.00822	0.9
89.03899	0.3
91.05490	1.5
93.07082	0.3
97.02909	1.2
99.04448	0.5
103.05479	0.9
105.01875	0.5
107.08590	0.2
109.02901	1.0
117.01852	0.3
119.04950	0.8
121.02917	0.4
121.06529	0.3
123.00773	1.2
125.02350	0.4
127.03908	1.3
129.07010	0.3
131.04944	0.4
133.02861	0.3
134.50241	0.2
137.06007	0.4
141.07007	0.4
145.01765	0.4
145.02852	4.5
145.04939	0.4
145.06471	0.4
147.04384	1.0
149.05948	0.4
151.00276	0.7
153.01799	1.5
155.04895	0.3
157.06453	0.4
159.02885	0.5
167.07047	0.3
169.06520	0.5
171.04463	0.3
177.01839	0.4
177.05457	0.7
181.01320	12.1
185.06004	0.9
187.07494	0.2
195.04449	0.6
197.06030	0.5
199.03937	0.2
201.05437	0.3
213.05475	0.8
223.03937	0.8
225.05458	0.7
241.04950	1.2
242.17175	0.2
243.06468	2.0
246.89630	0.2
251.03383	0.3
253.04919	0.6
269.04449	0.9
271.05988	1.8
281.04440	3.7
299.05502	100.0
300.05862	0.9
323.09143	0.3
355.11591	0.5
371.29340	0.2
451.35507	0.2
547.19501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.3
55.01864	0.4
55.05493	0.2
57.03434	0.5
57.78097	0.2
58.51445	0.2
61.02909	0.9
63.02351	0.3
69.03429	2.6
70.06261	0.3
70.06597	3.3
70.67875	0.3
70.68201	0.4
71.04974	0.5
71.06901	0.2
72.08155	1.5
73.02897	0.3
74.06048	0.3
79.05471	0.8
81.03413	1.3
84.04488	0.8
84.08162	1.2
85.02905	7.3
86.09707	1.6
87.04469	0.4
89.03913	5.0
91.03918	0.4
91.05457	0.8
96.70107	0.2
97.02894	2.6
99.04438	0.7
102.05513	0.3
107.04956	1.8
109.02856	0.7
110.07163	1.1
117.03384	6.8
119.04915	0.4
119.92639	0.2
120.08056	0.4
121.17776	0.2
121.47585	0.2
123.04388	0.7
125.85152	0.2
127.03935	1.7
129.10223	0.9
131.08560	0.2
135.04419	15.5
136.07585	0.7
137.06004	1.5
143.08536	0.4
144.08133	0.2
145.02849	13.8
145.04950	1.0
146.06035	0.3
147.04402	0.2
149.05937	0.3
161.05957	0.4
163.03900	100.0
164.04156	0.4
164.07045	0.6
171.08032	0.3
177.05458	0.8
177.09073	0.3
187.07449	0.3
189.09146	1.1
204.10182	0.6
206.11774	12.2
209.02718	0.6
223.14429	3.9
232.09700	0.6
249.12340	1.3
283.09982	0.3
296.56091	0.3
325.09259	0.6
344.46164	0.3
385.17679	3.4
454.02911	0.2
512.50726	0.2
547.22888	63.0
548.23712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.6
69.07030	0.3
69.38560	0.2
70.06567	0.5
70.20774	0.2
70.64170	0.2
70.64481	0.4
81.03410	1.1
81.07002	0.3
85.02908	1.6
86.09651	0.3
87.00810	0.3
91.05460	0.4
93.06968	0.3
95.08562	0.2
97.02882	0.5
97.06571	0.2
98.97568	0.3
99.04450	0.3
101.98310	0.2
105.01836	0.4
107.56891	0.2
109.02861	0.7
117.02818	0.2
118.04131	0.3
121.06538	0.4
127.03110	0.2
127.03899	1.3
137.05992	0.2
145.05000	0.4
151.07559	0.2
158.03673	0.2
159.02931	0.4
159.11641	0.2
160.01573	0.3
163.03963	0.2
177.05472	0.4
182.03604	0.2
186.98874	0.2
190.38646	0.2
200.04694	0.3
211.03802	0.2
225.61723	0.2
228.04152	1.2
232.03746	0.2
253.04767	0.4
255.02913	0.8
256.03668	0.9
271.05881	0.4
281.04388	0.4
282.10907	0.2
283.02332	0.3
284.03152	63.4
285.03470	0.4
299.05499	100.0
300.05728	0.7
313.51834	0.2
373.06277	0.2
479.58035	0.2
505.27603	0.2
547.20898	0.2
547.28723	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95558	0.2
53.03938	0.9
53.73357	0.2
55.01878	0.9
57.03423	0.4
68.99783	0.7
69.03431	1.6
69.07053	0.4
70.06592	0.5
71.04996	0.5
71.51566	0.3
73.02930	0.4
81.03419	2.4
84.08128	0.3
85.02901	3.8
86.09700	0.6
87.00845	1.3
89.03936	0.3
91.05480	1.8
93.07035	0.5
97.02901	1.6
99.04449	0.9
103.05445	0.5
105.01866	0.6
105.03430	0.6
105.07014	0.6
107.08575	0.3
109.02874	1.4
115.05442	0.4
119.04929	0.6
119.08659	0.3
121.02906	0.3
121.06487	0.4
123.00830	0.6
125.02367	1.2
127.03923	2.1
129.07008	0.6
131.04916	0.5
133.02864	0.5
136.21678	0.2
137.05977	0.9
141.07018	0.8
145.02872	4.1
145.04939	0.7
145.06487	0.4
149.05974	0.7
151.00198	0.5
151.07578	0.3
153.01826	1.2
155.04858	0.4
157.06462	0.5
159.02916	0.9
159.11612	0.3
163.04060	0.4
167.07066	0.7
169.06497	0.4
177.01822	0.4
177.05461	1.4
181.01332	12.4
181.04953	0.4
185.05959	1.0
191.06935	0.4
195.04552	0.4
197.05952	0.4
199.03896	0.4
201.05453	0.5
213.05510	1.3
224.04688	0.2
225.05447	0.8
231.05133	0.4
241.05013	2.4
243.06551	1.7
253.04996	1.2
263.07056	0.3
269.04431	0.8
271.06009	2.9
281.04456	2.4
295.92459	0.3
299.05515	100.0
300.05835	0.8
323.05664	0.4
323.09158	0.4
337.10605	0.3
353.13861	0.3
355.11884	0.6
363.01489	0.3
547.19836	0.7
547.32129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05511	12.8
57.03426	5.1
57.07064	4.4
60.08155	1.7
61.84012	1.8
65.01566	1.4
65.03949	2.8
65.09487	1.4
65.11471	1.4
66.05716	1.6
67.05505	77.1
69.07069	12.5
69.31084	7.0
69.31516	6.4
71.01427	1.4
71.05006	2.6
72.08149	1.3
73.02924	1.7
79.05016	1.6
79.05493	39.4
81.07058	80.1
83.04961	1.8
83.08623	7.9
85.02888	4.2
85.06540	2.9
86.09699	4.7
91.05482	23.3
93.07044	53.3
95.01344	4.3
95.04966	2.6
95.08610	59.4
97.06554	1.6
97.10163	2.8
99.08072	2.7
104.10752	1.6
105.07038	13.7
107.07901	2.2
107.08601	29.4
109.06505	2.3
109.10156	34.2
111.08076	2.8
113.02351	3.0
117.07024	11.9
119.08587	17.6
121.09328	3.1
121.10137	39.3
123.11703	20.5
124.99970	2.4
125.09617	2.8
131.03410	1.8
131.08554	20.4
133.10153	14.8
135.11699	29.9
135.13252	1.9
136.93071	5.1
137.09602	2.7
137.13269	7.1
139.11234	2.2
141.01816	6.1
145.10126	14.8
145.96428	1.6
147.11662	13.1
149.13254	20.1
151.11143	3.6
151.14769	2.1
154.94189	7.2
159.11676	17.3
161.13278	14.3
163.14848	15.1
165.12704	2.0
172.95262	9.0
173.13255	15.0
175.14815	5.5
177.16397	6.6
179.14336	3.1
184.07355	14.4
187.14845	10.3
190.96228	3.4
191.14330	2.2
201.16357	4.2
204.10135	2.4
205.15936	3.6
210.96736	1.6
212.73256	1.9
219.17525	1.7
228.97916	5.6
233.22690	5.1
243.21117	37.2
261.22137	100.0
263.23752	1.7
279.23181	5.1
300.76599	1.6
317.17938	1.9
318.18253	4.4
335.25800	30.1
342.74261	1.8
353.26886	36.6
405.30048	4.1
454.17264	5.5
471.18448	1.9
472.18585	9.9
502.73859	1.7
511.28964	4.5
515.86859	1.6
546.22144	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	545.3452
Annotation	Lys Ile Glu Arg
Peak:m/z	Relative Intensity
55.05497	0.3
60.81133	0.3
69.39761	1.8
81.07051	0.7
84.97674	0.3
95.08620	0.4
98.21430	0.8
107.08586	0.3
109.10092	0.3
120.08099	0.3
142.97757	0.3
221.09283	0.3
271.98724	0.3
272.59915	0.3
501.71335	0.3
527.40424	0.8
545.34186	100.0
546.34332	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
55.05516	4.2
57.03441	3.0
57.07077	1.2
57.76377	0.5
67.05507	6.1
69.07072	5.7
70.79722	1.4
71.05000	1.1
71.08640	4.2
79.05494	3.5
81.07057	10.5
81.08248	0.6
83.04984	1.0
83.08623	2.4
91.05485	3.7
93.07070	5.7
95.08620	8.3
97.06532	2.4
97.10189	1.6
98.98462	3.1
99.08099	2.5
105.07038	5.1
107.08592	7.1
109.06522	7.3
109.10186	2.9
111.08087	1.1
117.07030	1.0
119.08592	7.8
119.20750	0.5
121.06500	0.9
121.10142	4.5
123.08090	13.7
123.11714	2.1
125.09615	1.0
131.08591	2.8
133.10129	6.5
135.08051	5.8
135.11691	1.9
137.09644	1.8
143.08595	1.3
145.10199	3.5
147.11710	4.2
149.09583	1.9
149.13278	2.1
157.10173	1.3
159.11705	2.3
161.09663	1.2
161.13316	1.2
163.11186	0.9
165.12737	1.2
167.14296	1.6
173.13290	1.4
175.11256	0.8
175.14818	6.2
177.12733	2.9
177.16425	0.7
179.12749	1.3
179.14325	21.5
185.13095	0.6
193.15883	1.1
197.13254	0.6
198.05426	0.8
203.14380	0.7
205.15878	3.0
210.08810	0.7
213.16469	0.7
216.06358	1.6
263.19980	1.2
275.20190	1.9
289.21582	5.7
293.21106	2.2
303.26944	1.7
319.22754	1.4
331.26334	11.6
337.23715	1.2
347.25555	0.8
349.27432	5.6
369.27701	1.1
374.30502	2.0
375.29080	1.3
387.28973	5.0
405.30029	100.0
485.26541	1.0
503.27927	5.5
546.31604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05465	0.3
56.79860	0.3
57.22013	0.3
59.30049	0.3
66.18799	0.2
70.30849	1.1
79.05479	1.0
85.02914	0.3
91.05480	0.8
93.07065	1.1
103.05466	6.3
107.04958	1.8
119.04936	1.0
120.08109	100.0
121.06501	0.4
121.08469	0.4
127.71201	0.3
131.04919	2.6
135.04385	0.6
137.05984	1.0
147.04413	2.0
149.05966	1.9
166.08647	53.7
167.07037	1.4
177.77487	0.3
179.07045	2.9
183.96562	0.3
209.96678	0.3
212.90762	0.3
297.96381	0.3
432.62589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.6
53.03939	1.0
55.01867	1.2
57.03436	0.7
57.52964	0.5
61.02917	1.1
62.10786	0.5
69.03425	3.2
70.06582	2.4
70.10225	2.1
72.08148	0.7
79.05476	1.8
81.03412	1.2
81.07034	1.5
84.08133	1.6
85.02912	7.9
85.16443	0.6
86.09700	2.3
87.04470	0.8
91.05473	2.4
94.04211	3.1
97.02888	2.4
103.05470	2.7
105.07025	9.8
107.04932	0.8
109.06519	2.3
110.07178	1.3
111.07521	0.6
115.05444	3.7
117.03387	1.3
117.07005	1.1
118.04218	0.5
121.06474	0.8
122.03665	7.2
127.03926	1.8
128.06212	1.9
129.06978	0.9
129.10248	0.9
131.04924	2.1
133.06497	6.4
137.05984	69.6
139.05386	0.6
141.06985	1.1
143.04926	0.6
143.06015	0.7
145.02878	2.8
145.04988	1.0
146.03650	2.8
147.04411	0.7
149.05981	2.0
151.07582	0.8
152.62061	0.5
159.08023	1.3
161.05991	56.8
163.03889	0.6
165.07011	0.6
167.04958	0.6
167.07007	0.9
168.05713	0.9
171.08090	2.1
171.58769	0.5
175.07523	1.3
177.05498	5.0
178.05702	0.8
179.08653	0.9
184.05237	3.4
187.07539	1.1
189.06992	1.1
191.08542	1.3
192.09384	1.6
199.07550	20.4
202.07773	9.8
203.08566	17.3
203.18094	0.6
204.09309	1.8
205.06577	1.1
215.08656	1.3
219.08015	6.3
220.08864	7.0
221.09647	0.8
227.47560	0.5
230.07256	2.0
231.08073	32.4
232.08815	8.3
233.05750	0.9
233.09537	0.9
235.11237	1.8
237.09152	1.0
243.07799	0.7
245.09630	1.7
247.07634	5.4
248.08339	18.7
249.08905	1.0
258.06750	1.1
259.07550	24.6
260.08347	16.1
260.11096	0.7
261.09100	2.0
262.06012	0.5
262.09863	1.8
263.07718	1.0
263.10675	15.0
265.08563	1.4
273.05630	0.7
273.08957	1.1
275.06967	2.4
275.10349	0.5
276.07846	13.1
277.08542	4.0
280.10870	0.9
289.08521	0.6
290.09274	0.7
291.10159	100.0
292.10886	6.1
293.08069	2.8
293.42429	0.5
295.09909	1.0
295.13290	2.3
308.10410	2.3
323.12796	65.0
324.13324	0.8
365.26498	2.0
401.99713	0.7
545.26013	0.8
545.33105	11.2
547.50586	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68864	0.4
55.05492	0.5
57.07064	0.8
59.08067	0.4
65.51766	0.4
67.05504	0.8
69.07047	0.6
71.38872	0.5
81.07047	1.1
95.08601	0.8
109.02848	0.5
109.10165	0.4
156.83980	0.4
199.79257	0.4
239.23627	0.6
240.70152	0.4
246.05054	0.4
256.26328	0.6
265.32504	0.4
279.65448	0.4
327.10825	0.5
540.53302	1.0
541.33368	100.0
542.33685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29005	0.4
55.05504	0.4
57.07082	1.8
67.05507	0.7
69.07051	0.6
69.48727	2.5
70.06593	1.2
71.08622	0.8
73.02914	0.5
81.07081	0.8
83.08590	0.3
85.10197	0.7
88.07629	1.4
95.08587	0.7
102.09179	0.8
130.89059	0.3
185.04253	0.4
203.05266	1.0
239.23781	0.6
256.26385	2.4
257.26678	0.5
259.07886	0.5
283.26218	0.4
284.29373	0.5
311.29297	2.1
312.29651	0.8
505.47092	0.4
540.53485	4.9
541.33466	100.0
541.53119	4.3
542.33771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01883	0.4
55.05513	0.6
56.96554	1.0
57.03416	0.3
60.32960	0.2
65.03963	0.3
67.05502	0.7
68.99815	0.3
69.03431	1.0
69.07070	0.7
69.31249	0.2
69.31549	2.0
70.06592	0.4
74.98394	0.2
79.05497	0.6
81.03414	0.6
81.07056	0.8
84.08141	0.5
84.96027	0.3
85.02908	1.9
86.09695	0.6
91.05476	0.7
93.07040	0.6
95.08068	0.2
95.08624	1.1
97.02895	0.7
98.97577	1.3
103.01844	0.3
105.06994	0.6
107.08607	0.6
109.02872	0.6
109.10157	0.4
110.97557	0.3
111.11776	0.3
116.98605	0.7
117.03340	0.3
118.04176	0.3
119.08566	0.7
121.02900	0.4
121.06496	0.3
121.10169	0.6
122.86073	0.2
123.11721	0.3
126.96845	0.2
127.03912	0.4
131.08614	0.4
133.10143	0.5
135.04457	0.3
135.08040	0.3
135.11732	0.3
137.05948	0.5
141.06956	0.3
145.02856	0.7
145.04962	0.4
145.10147	0.4
147.11658	0.4
149.13281	0.3
150.99132	0.4
152.06221	0.4
153.07013	0.6
159.11714	0.3
161.02394	0.3
161.13263	0.3
169.06512	1.1
170.99687	0.3
171.04366	0.6
173.13261	0.4
177.05443	0.6
178.02724	0.2
181.06497	1.0
182.03566	0.2
183.04387	0.3
183.11589	0.2
185.13286	0.5
189.00568	0.4
190.98584	0.3
197.05978	1.7
199.03938	0.9
199.14877	0.3
200.04596	0.3
214.02632	0.3
225.05461	2.5
227.03392	0.9
228.04103	1.2
238.02516	0.3
253.04950	3.2
255.02826	0.3
256.03702	0.8
263.03281	0.3
271.05942	0.3
281.04446	100.0
282.04822	0.7
284.03149	54.0
285.03619	0.4
299.05499	79.4
300.05820	0.4
361.23822	0.2
392.99829	0.5
394.00262	0.3
411.00833	0.8
412.01053	0.4
461.10373	0.3
523.28198	0.5
541.20557	1.5
541.29626	2.5
550.73926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.45918	0.5
55.01868	0.7
55.05494	0.7
59.84489	0.4
61.29237	0.4
65.03924	1.0
67.05518	0.8
69.07064	0.8
69.19110	3.4
69.19524	0.8
70.06593	3.3
71.04952	0.5
72.08134	0.8
79.05490	1.0
81.03378	0.6
81.07060	2.5
84.04559	0.6
84.08143	0.9
85.02876	0.7
86.09706	1.5
89.03921	7.4
91.05489	10.6
93.07058	2.8
94.04192	0.6
95.04954	1.8
95.08603	1.0
97.02891	0.5
98.20716	0.9
103.05459	3.0
105.07024	1.2
106.04160	0.9
107.08610	0.5
108.08132	0.5
117.03386	21.6
119.04936	7.6
120.08090	1.6
121.06493	3.7
121.10089	0.6
122.03687	0.9
123.11679	0.5
124.05216	0.6
133.02873	5.5
133.06448	0.6
134.03635	1.6
134.05952	0.6
135.04388	1.8
136.05231	0.6
136.07520	0.6
137.05991	17.7
145.02852	55.5
147.04413	5.0
149.05988	12.7
150.06744	1.0
151.03923	1.0
151.07555	6.8
158.03575	0.6
160.05231	0.5
161.05943	2.6
162.03079	0.5
162.06796	1.8
163.03883	0.8
164.07019	0.7
165.05478	0.9
166.08607	0.5
167.07042	1.4
173.05969	1.5
175.03917	3.9
175.07523	0.9
177.05479	100.0
178.05829	0.8
178.08640	0.6
179.07057	3.3
186.03056	0.6
186.05592	1.0
192.06543	0.8
194.08148	0.8
201.05473	19.1
205.06467	0.7
206.08060	0.5
209.08031	1.1
213.05411	3.0
231.06503	1.6
233.06015	1.2
236.08138	0.6
245.19930	0.5
249.09070	0.5
265.08548	0.9
289.25284	1.0
290.05618	0.5
292.07446	0.7
293.08203	1.2
305.08102	2.0
307.09558	1.3
307.26334	0.8
312.12381	0.7
325.10681	7.9
337.10739	3.6
342.13388	3.4
344.14865	0.8
355.11804	10.6
373.12836	0.9
394.45001	0.6
413.12192	0.7
492.20166	4.9
508.19812	0.8
522.20837	2.0
540.22198	3.4
540.29407	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
54.20928	0.4
55.01860	1.7
57.03418	0.5
58.03779	0.4
59.59555	0.4
61.02915	0.4
62.89403	0.4
65.03953	2.2
67.05489	0.8
69.61071	2.0
70.06596	2.9
71.04975	0.5
72.08141	1.1
75.04489	3.8
77.03937	0.8
78.04721	2.4
79.05479	1.8
81.03416	0.6
83.04964	0.5
84.08150	1.1
85.02918	2.8
86.09693	1.2
89.03897	1.1
89.06019	1.1
90.76311	0.4
91.05487	11.6
93.03410	9.9
93.07043	5.4
95.04978	3.3
97.06511	2.5
103.05460	4.5
105.04501	0.8
105.07047	1.3
106.04182	24.6
107.04988	2.1
109.06522	0.9
110.03601	0.6
110.07220	0.6
111.73141	0.4
114.02973	0.4
117.03410	1.2
118.04111	0.4
119.04956	1.2
120.07152	0.4
120.08064	0.7
121.06512	24.9
122.07333	0.4
123.04464	1.0
123.08054	1.5
124.05194	0.6
125.06010	6.1
129.10242	0.8
131.04904	1.4
133.02861	0.5
133.06519	1.2
134.03627	3.1
135.04410	1.3
135.08124	0.4
136.07590	0.8
137.05988	3.8
138.06754	1.3
139.07533	1.6
145.02863	1.6
145.08601	0.5
147.04430	0.6
148.05147	2.3
149.05992	40.2
151.03926	0.7
151.07547	1.7
153.05457	1.3
153.09114	10.1
153.10353	0.6
161.05995	0.9
163.03915	1.4
163.07536	2.2
166.06285	1.1
167.07051	3.9
174.80600	0.4
177.05481	23.5
179.06973	0.5
181.08597	19.3
190.00922	0.6
191.07091	2.2
193.08562	0.5
195.06538	0.5
200.36641	0.4
201.12379	0.6
209.08102	100.0
210.08347	0.5
213.83282	0.4
223.04245	4.9
285.25494	0.4
287.04791	0.5
312.08807	0.6
369.13339	0.5
387.13712	0.5
463.42084	0.5
540.22369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26782	0.2
69.30517	2.2
86.09715	0.8
97.10165	0.2
104.10738	1.5
122.87907	0.2
125.00005	0.3
134.09917	0.3
149.01279	0.3
164.86647	0.2
184.07368	1.0
185.04219	0.3
282.96072	0.3
291.13129	0.2
293.05414	0.3
337.20334	0.3
538.81934	1.7
539.31927	100.0
540.32324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03957	2.0
55.01872	2.4
55.05509	0.5
65.03938	2.3
65.46572	0.3
67.05486	1.0
70.06601	2.6
71.51350	0.4
72.08149	1.0
75.04491	3.3
77.03928	0.7
78.04699	2.6
79.05479	1.9
81.03422	0.8
81.07043	0.4
84.08134	0.8
85.02917	2.9
86.09714	1.6
88.39937	0.3
89.03918	1.3
89.06041	1.1
91.05489	10.5
93.03409	9.6
93.07053	4.8
95.04964	3.7
95.08637	0.5
97.02909	0.5
97.06526	3.6
103.05475	4.8
105.04536	0.8
105.07030	1.4
106.04182	24.8
107.04967	2.4
107.08599	0.4
108.05760	0.5
109.06525	0.7
110.07159	0.7
111.04408	0.4
117.03387	1.2
118.04095	0.4
119.04949	1.4
120.08123	0.4
121.06510	25.4
122.03644	0.4
122.07307	0.7
123.04421	1.2
123.08055	0.9
124.05197	1.1
125.05998	6.4
129.07057	0.4
131.04900	2.2
131.05826	0.5
133.06458	0.7
134.03656	3.9
134.06036	0.3
135.04430	0.6
135.08089	0.5
136.07567	0.4
137.05988	5.1
138.06680	1.1
139.07547	2.2
145.02846	1.2
147.04395	0.8
148.05156	2.5
149.05988	40.0
151.03894	0.8
151.07590	1.7
152.08282	0.5
153.01811	1.5
153.05463	1.8
153.09108	11.3
157.06482	0.4
159.08102	0.4
161.05984	0.8
162.01334	0.9
163.03932	1.1
163.07471	1.6
164.07040	0.4
165.05466	0.6
166.06265	0.9
167.07037	3.9
173.05957	0.4
174.06781	0.8
177.05476	22.3
181.08600	18.2
182.09293	0.4
189.09056	1.4
191.07019	3.2
193.08646	0.5
195.06575	0.4
201.09137	0.4
207.08752	0.3
208.01936	0.5
209.08098	100.0
210.08452	0.6
213.12340	0.4
219.10158	5.0
223.04268	6.2
233.11650	1.0
250.14517	0.5
257.08099	0.9
312.09134	0.8
369.13266	0.6
378.19458	0.5
387.14590	0.6
401.16058	0.4
540.26086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05522	1.3
65.49658	0.7
65.97746	1.0
67.05500	1.2
69.03411	2.1
69.67995	5.0
70.06598	5.5
72.08147	2.6
79.05495	1.5
81.03414	1.4
81.07058	1.2
84.04497	1.6
84.08147	3.2
85.02913	5.1
86.09696	5.6
91.05479	4.3
93.07025	1.9
94.04179	1.4
95.04955	1.1
97.02890	1.9
103.05475	2.9
105.07036	5.3
107.04969	1.0
109.06538	2.1
110.09676	1.1
115.05446	1.9
117.03384	1.6
119.04944	2.5
119.08556	1.6
120.08086	3.0
121.06500	3.1
122.03658	6.0
129.06973	1.8
129.10240	1.4
131.08636	1.7
132.05679	1.1
133.06451	4.9
137.05981	100.0
138.09024	1.1
145.02840	2.9
145.05052	1.1
145.06462	2.7
147.04391	3.2
147.08049	2.2
149.05980	5.8
151.07518	1.7
159.08064	1.5
161.05981	16.8
162.06697	2.1
163.03964	1.9
163.07591	1.4
167.06995	1.5
172.05264	1.2
173.05939	2.0
175.07556	23.8
175.09052	1.4
177.05478	4.2
179.07040	2.4
187.07533	6.3
190.07785	1.2
191.08545	4.6
193.08656	5.4
199.07483	3.2
201.05397	1.8
203.08519	1.5
205.08594	3.1
207.06429	1.0
209.13774	0.8
217.08588	2.8
218.07349	1.0
219.08008	7.0
231.08093	2.3
235.07556	1.0
236.08333	1.6
237.09114	0.9
247.07515	2.2
248.08569	1.7
251.10680	11.1
259.07492	1.3
264.07724	1.1
279.10205	8.9
291.10138	2.7
295.09973	0.9
308.09930	1.1
309.11154	1.7
311.09158	1.4
311.12781	26.1
321.44525	0.9
323.12759	9.8
329.13818	5.4
341.13861	8.4
439.29379	1.1
457.30423	1.5
475.31345	5.8
506.19299	1.0
538.21588	1.1
538.30774	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	538.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01845	1.3
67.05470	1.3
69.03437	1.4
70.06591	22.3
72.08144	5.2
79.05479	4.7
80.05010	1.4
81.03391	1.5
81.07065	1.4
82.06551	1.7
84.04510	2.6
84.08122	5.1
86.09693	8.4
89.03904	3.4
91.05475	8.7
93.07044	9.7
94.06577	9.6
95.04963	2.6
95.07339	8.5
95.08638	1.7
96.08127	18.3
98.97601	1.6
101.07056	1.4
103.05462	4.4
104.05291	2.9
106.06548	1.3
107.04971	2.1
108.04443	1.2
108.08113	16.6
109.08823	1.5
110.09676	37.7
116.04990	3.5
116.07084	1.6
117.03342	3.1
118.73461	1.3
119.04961	2.0
120.04453	6.0
120.08099	31.8
121.06506	4.0
122.06017	5.4
123.06779	1.4
124.07610	8.0
129.10242	2.6
131.04907	2.4
134.05977	2.9
136.07579	13.2
137.05978	15.8
138.05473	5.3
138.09137	52.1
144.04451	8.0
145.02846	8.6
145.06450	1.7
146.06018	7.3
148.07567	8.6
149.05930	2.5
150.05463	3.6
151.03935	1.8
151.07545	6.6
152.07120	2.7
160.03975	1.9
161.05962	2.2
162.05490	5.6
163.03975	1.6
163.56772	1.2
164.07024	2.1
166.04971	5.5
166.08638	100.0
167.07043	4.5
169.13351	3.9
172.03937	42.6
173.06021	2.0
174.05478	1.8
175.07599	2.4
177.05482	15.6
181.05003	4.1
190.04982	17.6
191.07048	2.6
192.06575	1.9
194.08121	10.5
195.09294	1.5
197.10829	1.9
197.12840	4.1
201.05487	4.8
204.06567	15.9
209.08336	1.5
209.10620	1.8
211.08733	1.5
211.12317	2.6
212.09474	3.4
213.10258	1.4
216.06531	1.9
222.07793	2.0
222.11514	2.6
223.08768	2.3
224.09367	4.8
225.10236	4.5
227.11813	2.8
231.06319	1.4
233.08087	2.8
235.08827	2.3
236.09464	3.6
237.10257	16.7
238.10860	2.3
239.08176	2.6
239.11897	5.9
241.09703	4.3
245.12840	1.4
249.10229	2.2
250.10954	2.1
251.08122	2.6
251.11732	12.1
252.08977	2.0
252.12497	1.6
253.09734	8.0
255.11359	3.4
260.10709	2.6
263.11783	2.0
264.08932	1.7
265.09735	25.3
265.12366	2.3
266.10519	2.7
267.02649	1.3
267.11176	4.1
269.12610	1.4
271.10672	3.7
273.12262	6.7
278.06622	12.1
279.11285	13.0
280.08359	3.4
280.11868	1.4
281.09320	3.2
281.12759	3.2
283.10797	9.3
285.12122	2.9
289.09583	1.6
291.11240	1.3
292.08243	2.2
293.09201	26.9
294.10016	5.2
295.10626	1.7
297.12195	7.9
299.10239	3.5
300.10913	2.6
307.10727	5.7
309.12180	4.3
310.21252	4.0
311.10156	2.6
312.11121	4.1
313.11823	6.2
325.11786	24.2
327.12979	2.1
335.10172	9.3
340.10544	3.6
341.11288	34.7
341.15118	2.2
341.24683	1.3
343.12601	1.5
353.11346	27.8
357.14139	3.9
373.14267	7.3
373.18320	2.0
385.13968	6.8
418.17572	1.9
423.29306	1.9
432.19156	1.9
437.19321	1.6
438.84357	1.2
460.18723	6.6
465.14133	1.1
465.19049	13.2
478.19901	11.4
488.18274	15.4
506.19247	90.6
520.20557	2.8
538.21283	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	538.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01863	1.5
65.03931	3.5
67.05502	1.5
68.99818	0.5
69.03423	1.2
69.07065	0.6
70.03787	0.5
70.06581	1.2
71.01369	0.6
71.52243	1.0
77.03909	0.5
78.04697	0.9
79.05481	2.3
81.03410	1.1
81.07045	2.0
82.04187	1.0
84.08138	0.6
85.02892	2.8
86.09676	0.6
89.03909	4.2
91.05479	14.9
93.03415	1.2
93.07042	9.3
95.01330	1.4
95.04974	2.8
95.08612	0.7
95.29433	0.5
97.06526	1.3
103.05470	8.7
105.03384	1.8
105.04556	1.4
105.07032	1.1
107.04955	5.9
107.46435	0.6
109.06509	2.6
110.03656	0.8
111.04470	1.2
115.05476	1.1
117.03376	16.1
118.04112	0.6
119.04942	6.7
120.05762	3.6
121.02822	0.6
121.06508	46.4
123.04421	2.4
125.05993	1.1
131.04881	1.4
132.04471	0.7
133.02861	4.5
133.06462	3.1
134.03592	1.0
134.06020	3.5
135.04410	1.8
136.05171	0.9
136.07588	3.5
137.05977	11.1
138.06470	0.5
138.09161	0.7
140.04686	1.3
142.02614	1.9
143.04912	1.0
145.02847	46.9
145.06453	1.5
146.03604	0.6
147.04434	5.6
148.05179	1.3
149.02271	0.6
149.04802	1.2
149.05965	7.9
150.06747	0.7
151.03893	2.0
151.07509	2.0
153.05498	4.2
154.06238	1.3
155.07050	2.9
158.05891	0.6
161.05963	2.7
162.05513	1.6
163.03894	1.5
163.07533	0.7
164.07060	2.5
165.05490	8.0
166.06267	1.9
167.07039	8.2
171.04420	0.7
171.06493	1.1
173.06026	1.0
175.03932	4.5
175.06180	0.8
175.07538	1.0
176.04652	1.4
176.07101	0.8
177.05475	100.0
179.07056	2.1
180.07797	5.8
181.04958	48.1
183.06499	0.8
186.03172	1.0
186.05547	1.6
187.03746	0.6
189.05516	1.5
191.07092	1.0
192.06544	18.5
192.08159	1.2
193.04965	3.3
193.07339	1.2
194.08177	0.7
195.06470	1.4
196.07304	1.4
197.08116	1.7
201.05458	5.1
203.06970	0.7
207.06526	6.9
208.07301	13.4
209.08023	1.2
219.06491	6.2
221.08145	1.7
223.07607	0.5
225.07567	19.6
226.06099	0.8
226.08365	13.0
226.10478	1.1
229.04985	1.6
233.08109	1.4
235.07645	0.8
237.09061	0.6
265.08630	0.9
270.11420	0.7
289.10687	2.9
295.09604	1.1
301.06744	0.7
312.12302	34.5
314.13904	2.3
325.10504	0.8
351.08478	1.3
353.10117	3.1
355.11777	1.9
356.14893	1.8
369.09637	6.5
371.11295	2.4
383.11270	5.3
401.12262	10.4
508.19772	2.2
520.19580	2.9
538.20752	14.0
538.33118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47090	0.4
52.65203	0.4
53.03953	1.0
55.01875	0.8
55.05507	1.1
56.05035	1.2
57.03440	0.6
59.30476	0.4
63.02388	0.8
65.03944	0.8
67.05523	1.2
67.53390	0.5
69.03424	1.0
69.07082	0.7
69.63573	2.9
70.06592	11.3
72.07809	0.4
72.08148	2.9
74.06087	0.7
78.04695	0.8
79.05495	1.6
81.03421	6.4
81.07058	1.5
83.06131	0.7
83.08624	0.5
84.04512	2.9
84.08153	6.0
84.16484	0.5
85.02892	1.6
85.06538	0.6
86.09706	5.3
87.05585	0.8
89.03922	11.3
91.05484	8.9
93.07031	1.1
94.04167	1.7
95.04967	2.1
95.31496	0.5
97.02928	0.9
100.11253	1.9
101.18632	0.6
102.05539	1.1
103.05474	2.6
104.04943	0.6
105.03347	0.5
105.07037	1.3
106.06532	0.6
106.12707	0.5
107.04958	7.8
107.08611	0.9
109.02954	0.5
109.06512	2.6
110.07146	2.4
111.04465	1.5
114.09164	1.0
114.87262	0.5
115.05434	5.7
116.07111	0.6
117.03383	33.4
117.06999	2.8
118.06643	0.5
119.04939	9.7
119.08576	0.5
120.08109	2.8
120.08839	0.4
121.02870	0.5
121.06508	2.2
121.10204	0.7
122.03661	2.3
123.04432	2.0
123.11689	0.6
124.03987	1.3
124.05202	1.0
129.07024	1.2
129.10234	3.3
130.04094	0.7
131.04962	2.8
131.08592	0.6
132.04440	1.5
133.02858	4.1
133.06462	0.9
133.10086	0.6
134.03630	2.0
134.05983	0.7
135.04431	2.7
136.07561	2.4
137.05983	35.0
142.08614	1.5
143.04948	2.9
144.05688	1.2
145.02850	75.0
145.06473	3.5
146.03407	0.7
147.04404	8.5
147.08051	0.7
149.05986	14.8
149.07143	1.0
150.06750	1.7
151.03906	3.5
151.07559	4.4
152.02849	0.5
154.12303	1.5
155.06026	0.7
156.07744	0.6
158.06062	0.8
159.04454	0.8
159.09187	0.7
160.03976	1.1
160.05199	6.0
161.05994	5.3
162.03093	0.8
162.06697	2.3
163.03914	2.1
163.07478	1.0
164.07010	1.2
165.05605	0.9
166.07658	0.5
166.08679	6.1
167.07056	10.0
172.03938	0.7
173.05959	4.6
174.06734	0.8
175.03929	6.2
175.07550	17.5
176.07109	1.4
177.05475	100.0
178.05820	0.8
179.07053	6.1
181.05017	1.1
182.15361	1.3
186.05531	2.0
187.07570	3.6
194.07289	1.6
195.08020	0.7
200.07092	0.5
201.05455	21.5
203.07068	0.8
204.06557	2.2
205.06505	1.6
205.08554	1.5
206.07968	1.1
207.06418	0.9
207.08141	0.7
209.09572	1.3
210.14944	1.7
213.05479	2.0
217.08595	0.9
218.08138	19.0
222.06776	1.3
225.05685	0.6
231.06451	3.3
233.05919	2.0
233.08055	0.6
234.06776	1.4
235.07487	1.0
235.09653	2.2
237.09145	6.0
239.07014	0.6
240.13438	0.5
241.08530	0.9
241.19069	0.5
245.05849	0.6
247.07523	0.6
250.06485	0.7
262.06265	1.2
263.07147	0.7
265.08636	4.0
267.10217	0.6
273.11346	0.6
277.08560	1.3
279.06628	0.6
280.09671	0.7
283.09583	1.0
290.05750	0.9
290.10251	1.6
291.09808	0.6
292.07251	0.6
293.08206	0.7
295.09622	0.7
297.11136	1.5
300.12305	1.6
305.07944	2.6
307.09671	1.4
308.09174	2.4
309.11252	0.7
325.10745	5.9
327.12268	0.5
336.12418	0.8
337.10757	4.2
340.11771	2.8
341.13419	0.9
342.13251	1.6
355.07544	0.9
355.11734	14.2
364.11502	0.7
366.13367	1.8
368.14792	0.6
373.12708	1.4
374.16745	0.6
378.13388	1.0
386.17844	0.5
396.14191	2.8
397.31778	0.6
490.18506	2.8
502.18304	0.8
506.18655	0.6
520.19720	5.5
538.20917	4.7
538.28680	0.7
538.31348	0.6
538.39502	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	538.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	1.0
56.04995	0.8
69.03381	1.6
69.77518	3.3
70.06597	4.9
71.97472	0.6
72.08162	2.8
73.02899	0.7
75.04440	1.9
83.01308	1.0
84.04456	1.7
84.08102	2.4
84.08556	0.6
85.02869	1.4
86.09652	2.2
91.05444	1.1
97.02821	2.5
101.02340	1.5
102.05482	0.9
103.05438	0.8
105.06986	0.6
107.04891	0.9
110.07143	1.4
111.04435	1.0
115.08604	0.7
115.91757	0.6
118.06468	0.9
119.04895	1.0
120.08090	1.4
122.03619	1.1
123.04424	1.2
127.03893	0.9
129.05437	0.9
129.10213	1.4
131.04921	1.4
135.04349	0.7
136.07535	2.9
137.05986	30.7
143.04999	0.8
145.02792	0.7
146.05971	1.4
147.04443	3.9
149.04800	0.6
149.05975	1.6
150.05467	0.8
151.03882	1.4
151.07468	0.6
152.07040	2.7
159.07750	0.6
161.05916	2.0
162.05470	2.7
163.03856	1.8
163.06241	2.7
163.07442	0.6
164.07069	5.4
165.06979	0.8
167.07005	2.0
173.27618	0.7
175.03897	3.2
177.05408	2.7
177.06934	4.6
181.06496	0.8
183.08165	0.7
192.06519	2.1
193.06752	1.3
194.07237	1.5
195.08083	1.1
197.98538	0.6
204.05931	0.6
204.08067	1.5
205.04626	1.1
205.06499	16.5
209.07964	0.8
211.07469	1.6
213.12383	0.9
219.08040	1.2
221.06046	2.9
221.08150	0.6
222.06856	4.7
222.08868	1.2
223.07553	12.6
225.09200	0.9
232.07526	2.0
233.05986	9.1
233.08270	0.9
234.06702	1.8
235.07578	0.7
237.09157	5.3
239.06990	1.8
240.07669	1.1
247.07346	1.0
249.05539	1.4
249.07874	2.3
250.06224	19.0
250.08659	11.0
251.07040	27.2
252.07750	1.9
253.08569	2.4
260.07147	0.9
261.05374	2.1
262.08728	0.8
263.06961	1.4
265.08612	17.7
266.08270	1.0
267.06552	2.8
267.09039	1.4
268.07190	2.0
268.09717	2.9
270.86563	0.6
271.09668	1.9
277.07278	1.3
278.05676	21.3
278.08203	14.1
279.06473	8.3
279.09024	2.6
280.07343	0.9
281.04358	0.9
281.08139	1.1
282.08615	0.7
283.09689	13.6
284.09399	0.8
285.09808	1.7
292.09747	1.4
293.08081	44.9
294.07806	1.7
295.08414	6.8
296.06534	2.9
299.09167	10.9
300.12289	7.9
310.10742	26.7
311.09152	42.7
328.11804	100.0
346.12729	1.9
346.17126	0.8
367.10321	0.8
520.17999	6.8
520.24762	0.7
538.19257	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	538.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09053	1.6
53.25719	1.5
55.01854	1.6
56.96556	2.4
65.03941	2.3
67.05492	2.2
68.67864	1.4
69.03419	3.4
69.07054	2.0
69.43111	12.4
70.06599	8.3
79.05495	6.7
81.03424	2.4
81.07050	6.2
84.08150	3.8
85.02922	10.7
86.09712	4.9
91.04998	1.2
91.05495	10.6
93.03409	1.4
93.07045	6.7
94.04173	2.3
94.06566	3.1
95.04977	4.0
95.07327	2.1
95.08603	4.4
96.08119	2.9
97.02865	2.6
98.97572	2.8
103.05458	5.6
105.07038	5.7
107.04962	6.6
107.08582	5.2
108.08097	4.0
109.10163	3.4
110.07169	2.0
110.09696	8.7
115.05453	6.0
117.03391	2.5
117.06981	2.3
119.04950	5.5
120.08113	9.7
121.06497	5.6
122.03648	4.3
122.06042	2.7
123.04410	2.9
124.05128	2.0
124.07564	2.3
127.03938	2.1
131.04956	8.8
132.05339	1.8
133.06496	2.4
136.07579	3.0
137.05983	70.8
138.09160	10.5
143.04921	4.3
145.02898	9.1
145.04935	2.8
146.06049	2.2
147.04401	5.2
148.07614	1.9
149.05978	3.0
149.40503	1.9
151.03912	8.1
151.07541	17.4
157.10233	1.4
158.03670	1.9
160.05174	5.9
161.06042	8.4
162.06747	3.9
163.07620	2.8
166.08647	21.1
167.07059	11.3
172.03938	8.3
173.06018	6.9
175.03958	2.0
175.07556	20.6
177.05521	16.8
177.06953	2.8
178.05853	1.7
178.07791	1.9
179.06992	1.9
181.04924	4.9
186.03171	3.9
189.05444	2.1
189.07018	2.6
190.04898	3.2
201.05475	54.0
202.07753	1.9
203.17984	2.2
204.06586	3.9
205.06496	4.7
206.07271	5.1
213.05511	7.7
217.06552	3.1
218.08185	34.6
221.06012	2.3
231.06573	5.5
233.06015	5.9
233.08047	2.1
234.06737	20.9
235.07503	5.4
237.10315	2.7
245.05991	4.7
246.06728	2.5
248.09253	7.8
249.05809	2.0
249.09114	7.6
250.06294	3.4
251.07027	2.5
261.05460	4.6
262.06232	21.4
263.07056	4.2
265.09219	7.1
266.09338	1.6
273.05444	6.0
274.06235	4.7
276.07861	2.7
277.08597	22.6
278.06094	3.5
279.06821	2.9
279.11185	2.9
283.10483	2.0
284.03378	1.7
287.07147	3.2
289.04956	2.2
290.05728	27.9
292.07639	3.7
293.09247	8.5
294.09122	5.4
297.11804	2.6
305.08099	43.9
306.08835	1.6
307.06076	2.9
307.09875	6.2
309.11475	5.0
319.09576	7.2
320.68347	1.6
322.08377	6.5
325.10822	22.3
327.12457	2.0
335.10202	2.1
337.10715	100.0
341.11206	7.0
350.16501	3.4
353.11362	9.5
355.11707	19.0
367.69537	2.0
368.17358	3.3
373.13831	4.1
383.11179	4.4
385.13986	2.1
443.25247	1.6
465.18698	1.9
488.18134	3.6
490.18515	7.4
506.19180	16.4
508.19778	1.9
512.21576	4.3
520.19794	25.3
538.14612	12.3
538.21869	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	537.2123
Annotation	Gomisin G
Peak:m/z	Relative Intensity
52.35549	1.5
71.51444	3.3
81.07025	1.8
89.03936	9.9
90.42371	1.4
91.05450	1.5
91.90790	1.5
99.30653	1.6
103.05444	1.7
115.98004	1.6
117.03390	31.8
122.95168	1.5
131.08553	3.9
134.03607	2.2
135.04443	2.3
137.05989	6.0
141.07010	3.3
145.02856	63.7
146.39043	1.6
149.05962	11.8
151.07579	2.5
159.08043	2.0
163.07568	2.5
174.06808	5.0
177.05487	100.0
189.09103	7.9
201.09145	3.9
219.10179	42.0
266.59189	1.5
537.15216	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99568	0.9
63.93463	0.7
65.03946	4.2
67.05534	0.8
69.03428	2.3
69.65943	3.3
70.06602	5.4
71.04939	0.7
71.29428	0.8
72.08168	2.6
74.06091	0.9
76.02239	4.6
79.05487	1.2
81.03418	3.9
81.07076	1.0
84.04520	2.5
84.08147	2.0
85.02904	5.5
86.09708	3.9
89.03897	0.8
91.05445	1.9
92.05015	2.1
93.07029	1.5
94.06577	2.5
95.04989	1.6
95.07368	1.7
95.50475	0.8
96.08144	2.9
97.02908	2.6
97.06559	0.9
103.05489	2.1
107.05000	0.9
108.08118	5.5
109.02869	1.1
110.09685	5.5
116.04980	3.0
117.03453	0.9
120.04465	6.0
120.08116	7.3
122.03658	1.4
122.06025	5.0
124.07574	2.1
127.03891	1.0
129.10303	1.6
131.04935	3.2
131.08488	0.9
136.07578	9.0
137.05992	15.9
137.06923	0.6
138.09151	7.4
143.03490	1.1
144.04468	9.0
145.02879	1.2
145.06117	1.6
146.06041	2.5
148.03941	98.3
151.03975	0.8
154.08647	1.8
161.05949	1.1
162.05515	7.6
162.75874	0.9
163.02521	1.1
163.07542	1.4
166.05034	13.2
166.08662	18.9
167.07077	2.1
172.03949	44.9
177.05475	1.4
179.04842	4.3
180.05180	1.2
187.07484	1.3
190.05022	11.3
194.08163	0.9
199.44003	0.9
204.06573	100.0
222.07622	2.1
227.11806	2.3
239.74315	0.9
243.11298	1.0
255.11310	15.2
273.12402	15.0
283.10776	16.7
301.11847	65.0
308.09174	1.5
309.09521	2.8
319.12857	2.4
325.11920	3.6
329.15002	2.3
334.09305	1.9
339.13300	1.2
343.12924	61.8
357.14450	22.7
375.15619	5.9
501.19122	1.1
519.19684	1.5
537.20038	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11569	0.6
53.03946	0.9
53.32130	0.7
55.01873	1.9
55.05511	0.8
56.05056	0.7
56.96568	26.1
56.96852	1.3
65.03943	1.3
67.05492	2.1
69.03416	1.5
69.07054	1.0
69.79576	2.7
70.06595	4.6
70.89637	0.7
71.04996	0.7
72.08156	2.2
78.39803	0.8
79.05495	1.8
81.03422	1.2
81.07072	3.4
83.05016	0.9
84.08143	1.9
84.96035	2.2
85.02914	2.6
86.09715	2.7
87.00854	1.0
89.03921	1.9
91.05496	3.6
92.05828	0.7
93.07058	3.8
95.04983	2.6
95.08634	3.2
97.02901	0.8
97.06546	1.7
98.97591	24.9
99.08119	0.7
103.05458	4.2
105.07036	3.2
107.04970	1.9
107.08591	2.0
109.06512	1.9
109.10153	1.2
110.97574	2.1
111.04460	2.0
111.08114	0.8
112.99137	1.0
115.00721	1.5
115.05506	0.7
116.98632	7.9
117.03368	3.5
119.04948	1.2
119.08609	2.0
120.08118	1.1
121.06519	1.7
121.10176	1.9
123.04446	1.4
123.08054	1.3
124.99148	1.1
125.05997	1.1
127.00729	0.9
127.03910	0.8
128.98625	2.6
129.02271	1.2
129.10222	1.2
130.06526	1.8
131.04926	6.3
131.06900	1.1
133.06519	1.7
133.10179	0.9
134.99673	1.4
135.04411	1.0
135.11746	1.4
136.07639	0.8
137.02736	1.7
137.05988	12.6
137.09618	1.5
141.02252	2.0
143.00197	3.9
143.03827	7.3
143.08650	1.2
144.05731	0.8
145.01787	1.4
145.02846	7.3
145.06505	1.3
146.03238	2.6
146.99721	0.9
147.04411	1.4
147.08116	0.7
147.11765	0.9
149.06012	2.2
151.03958	2.4
151.07568	2.2
153.02214	2.1
154.93289	1.3
155.03812	1.4
157.10129	0.8
158.99673	10.8
159.03320	2.0
161.01262	1.4
161.02631	0.6
161.04869	11.3
161.06033	1.9
163.03911	1.5
163.07567	3.3
165.05556	0.8
165.09224	1.0
167.03860	2.1
167.07079	2.8
168.98140	1.4
170.99638	1.4
171.03316	1.6
172.94319	1.9
173.04924	1.5
174.99243	0.8
175.04079	0.7
175.06258	0.7
175.07652	0.9
177.00717	8.2
177.05502	10.6
178.05869	2.1
179.05862	1.7
181.04980	7.3
182.05360	2.9
183.03302	1.0
185.04878	3.1
186.99188	1.4
187.07559	1.0
189.00687	1.8
189.09137	0.8
190.95462	1.0
191.07224	0.9
193.08742	0.8
195.06618	3.7
197.08554	2.0
201.00749	1.8
203.05807	0.9
207.06696	1.7
208.07141	1.1
209.08485	3.7
213.08034	0.8
214.95361	1.8
215.09573	4.3
219.01746	5.7
225.07748	3.0
226.08159	2.1
227.09593	4.3
237.02797	3.8
237.11667	1.0
238.95294	0.7
247.10072	0.8
248.01717	0.8
249.07819	0.8
255.12755	1.5
256.96393	1.0
259.13657	0.9
267.12787	2.2
275.13129	3.4
277.14774	55.0
279.16336	30.6
285.13580	0.8
293.14316	1.6
295.15823	30.7
297.17398	11.8
298.97559	2.7
313.16855	4.2
316.98532	2.4
318.17300	2.0
319.15643	3.8
320.18964	0.8
324.09579	1.1
334.99628	0.9
335.15677	0.8
337.16885	11.6
339.12442	0.8
339.18332	5.7
340.12152	0.8
353.16437	1.2
355.17950	1.4
357.10394	5.5
367.18195	1.7
370.09961	1.3
373.16904	1.4
375.11584	14.5
377.13184	1.4
379.17773	5.2
381.19263	1.2
384.11548	0.9
391.17834	5.5
393.12473	3.5
399.20682	1.2
401.12149	0.9
402.12939	1.1
409.19199	1.7
417.12540	8.0
427.20026	0.8
439.20038	4.5
448.15274	0.8
457.21002	1.3
458.15967	0.8
458.23337	0.7
501.28455	1.3
519.15533	6.2
537.16766	100.0
537.30328	3.2
538.16956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00333	2.0
53.78102	1.9
55.05515	34.1
57.03437	5.7
57.07080	19.4
60.08160	6.3
61.02916	5.1
67.05507	34.0
69.07074	48.6
69.49435	15.9
71.04980	2.6
71.08628	9.5
74.87499	2.1
79.05496	13.4
81.07064	40.2
83.08621	36.7
85.02917	5.7
85.10181	6.2
86.09716	13.4
91.03966	3.0
93.07056	23.6
95.08612	52.3
95.47130	2.0
96.57335	2.1
97.02879	2.6
97.06532	7.6
97.10189	27.3
98.20712	4.1
104.10741	22.0
107.08588	20.1
109.10167	25.2
111.08071	7.0
111.11716	9.4
121.10159	33.1
123.11721	6.1
125.00039	6.1
125.13217	3.0
135.11693	31.3
137.13228	6.2
138.51277	2.1
139.11176	3.6
149.13312	12.8
151.14856	6.4
163.14804	7.2
164.87901	2.2
165.16396	3.9
177.16315	3.1
184.07343	25.5
236.30986	2.4
247.24255	43.9
265.25269	90.1
283.26291	18.2
299.06210	2.4
339.28934	100.0
357.30020	31.9
482.77661	2.6
501.34180	3.3
536.37177	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	536.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41233	2.1
53.03931	3.2
53.54847	2.4
55.05268	4.2
55.05515	51.5
57.03430	7.6
57.07082	30.5
61.02919	3.1
67.05507	70.4
69.03429	17.9
69.07073	85.2
69.92387	11.5
71.04978	7.0
71.08643	20.2
72.34339	2.1
79.05497	36.5
81.03425	30.9
81.06595	4.3
81.07061	82.9
83.04987	4.2
83.08157	4.4
83.08624	60.3
85.02910	26.1
85.06539	4.1
85.10163	9.7
86.09705	4.7
91.05472	6.6
93.07051	49.5
95.04964	6.2
95.08610	79.1
97.02898	18.3
97.06527	11.3
97.10173	41.1
99.04436	4.5
104.10728	9.9
105.07043	9.0
107.08603	30.9
109.02874	7.1
109.10168	40.0
111.04466	4.6
111.08108	5.3
111.11724	15.9
114.79565	3.2
119.08591	6.2
121.06582	3.6
121.10150	61.3
123.11714	15.9
125.13248	4.4
127.03923	12.0
129.05458	3.7
131.08577	2.9
133.10123	4.2
135.11697	41.4
137.13190	6.7
139.11212	3.5
141.12703	3.1
145.04997	6.9
147.11702	3.8
149.13275	23.6
149.97466	2.4
151.14825	6.1
153.12794	3.8
155.14304	2.5
161.09593	2.7
161.13205	3.9
163.14874	5.6
165.16396	5.0
175.14729	3.0
177.16393	4.5
179.17929	2.7
184.07317	10.3
188.29738	2.5
190.71854	2.5
191.17944	3.9
219.17419	3.3
247.24257	37.2
247.70206	2.6
263.23788	3.9
265.25272	100.0
277.25256	4.8
283.26297	9.5
299.06198	5.0
300.12238	3.3
305.24738	5.0
307.26437	3.0
323.25504	4.2
331.26285	2.9
332.40903	2.4
335.25848	3.8
339.28992	42.3
345.27817	7.6
349.27295	7.7
355.26328	8.8
357.30063	23.2
363.28989	2.7
373.27347	38.0
391.28506	42.0
399.44342	3.0
409.29498	64.9
427.30527	41.7
475.32620	3.0
530.04346	2.7
536.32513	5.2
536.50348	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	535.2756
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03934	1.7
53.82922	1.1
55.05505	5.0
56.51660	1.1
56.96584	1.1
59.04971	1.7
61.02950	1.1
61.87931	1.1
62.03507	1.1
62.71056	1.1
67.05219	1.1
67.05518	9.7
69.03432	4.8
69.07074	10.1
69.27934	1.7
69.28342	8.7
70.06600	13.6
71.04997	2.8
72.08167	7.1
79.05483	3.0
81.03425	1.8
81.07066	10.3
83.05005	6.7
83.08622	3.7
84.04516	2.7
84.08154	6.6
85.02912	8.2
85.06568	2.1
86.09724	8.7
87.05574	1.3
89.47466	1.2
91.05483	3.6
93.07049	6.7
95.04971	1.5
95.08608	19.9
97.02891	2.1
97.06558	1.2
98.20800	2.4
99.08108	2.9
105.07023	4.3
107.04984	2.6
107.08586	12.4
108.83778	1.1
109.06529	6.4
109.10165	58.6
110.07190	2.3
111.08079	2.7
113.09610	1.3
116.07085	1.3
117.03439	1.9
119.08584	21.2
120.08120	6.1
121.10143	6.4
121.65933	1.1
123.08076	8.5
123.11763	2.6
127.11226	1.2
129.10269	4.5
131.04930	1.3
133.10135	12.7
135.11699	53.6
137.05989	4.4
137.09612	11.6
139.11214	1.2
145.02826	2.8
145.04988	1.5
149.13287	3.3
151.11198	6.4
151.14807	8.0
153.12772	2.2
163.03995	2.2
165.16412	2.2
167.07051	2.6
175.14835	24.2
177.05508	3.9
193.15900	33.2
211.16948	100.0
216.78616	1.2
287.05481	7.6
325.10641	1.2
499.62756	1.6
522.20551	1.3
535.13861	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23546	1.4
53.03944	3.1
55.01872	7.4
55.05512	13.2
56.96570	2.8
57.03449	1.7
57.07079	3.1
65.03957	2.1
67.05494	9.2
69.03432	6.2
69.07064	14.2
70.06599	10.2
70.87112	3.3
71.04998	1.7
72.08150	2.6
73.02930	2.3
75.55294	1.4
79.05500	10.2
81.03407	4.7
81.07056	44.5
83.04975	18.0
83.08632	8.7
84.08140	4.5
85.02901	15.1
85.06541	13.5
86.09720	8.7
87.00832	4.8
89.03918	1.7
91.05471	15.6
93.07047	37.4
95.04956	4.5
95.08608	34.4
97.02895	5.9
97.06510	9.2
97.10179	4.5
98.97601	2.6
99.04452	2.1
101.06001	1.8
103.05453	1.9
105.01883	9.2
105.07035	55.2
107.04942	2.1
107.08604	21.7
109.02938	2.8
109.06520	5.8
109.10165	7.4
111.04443	5.5
111.08084	49.4
111.11709	3.5
115.98413	1.4
117.03390	3.9
117.07039	1.8
119.04974	5.5
119.08578	26.9
120.08134	3.8
121.06554	2.5
121.10126	18.9
123.04480	1.5
123.08065	5.0
123.11700	3.3
125.05982	1.6
125.09626	5.2
127.03857	6.7
129.05484	24.7
129.10196	2.1
131.04933	3.3
131.08525	3.0
132.05698	3.0
133.10144	19.3
135.04439	1.8
135.11702	7.7
137.05992	6.6
137.13281	9.9
138.06306	1.6
139.07553	12.9
141.09088	1.5
145.02859	7.0
145.04970	3.3
145.10088	4.1
147.11705	6.4
149.05974	3.3
149.09546	2.4
151.07567	6.3
151.14807	2.7
153.09105	4.3
155.08464	1.4
157.08606	100.0
159.11682	12.2
160.05128	2.0
161.05974	3.5
161.13260	89.9
163.03900	7.1
165.09152	4.4
165.68466	1.3
166.08725	1.8
167.03365	1.5
167.07048	5.0
167.10678	3.5
171.10146	2.0
175.07507	1.5
177.05484	15.6
177.12723	1.5
179.07068	2.1
179.10759	2.7
179.14317	19.1
180.07726	2.8
189.16371	8.5
191.07050	3.0
192.07825	6.5
199.14893	2.5
207.06508	4.6
207.17401	2.9
217.15886	16.0
231.05048	2.5
235.16928	47.9
249.06010	2.4
253.17984	12.2
270.20679	1.8
284.09927	2.1
289.11136	1.7
323.08960	1.9
351.08975	3.0
383.11362	4.0
488.15314	1.9
536.15247	5.4
536.21558	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01864	1.9
57.03431	0.8
61.02923	1.0
68.99798	0.8
69.03425	4.4
70.06573	0.4
71.04996	0.8
73.02908	1.3
81.03423	4.6
85.02908	11.5
86.09713	0.6
87.00828	4.5
91.05492	1.1
97.02899	4.3
98.20720	1.0
99.00815	1.2
99.04473	2.3
100.11250	0.4
103.05458	3.7
104.77203	0.4
105.01871	2.8
105.07040	0.7
107.04940	0.7
107.08620	0.5
109.02880	4.6
112.01595	0.6
117.01827	0.8
120.08065	0.5
127.00269	1.3
127.03915	8.4
131.04941	8.7
133.02823	2.0
135.53351	0.4
137.05975	1.6
145.04935	2.7
146.70255	0.4
147.02930	0.6
147.04358	0.4
151.03850	0.5
151.07544	0.5
157.06558	0.5
159.02896	3.2
167.07011	0.5
168.00548	25.2
173.05959	1.0
175.07597	0.5
177.05490	0.7
182.01895	0.5
183.02898	81.6
186.01601	11.1
195.02899	1.5
201.03983	1.9
207.02902	0.6
221.04405	0.6
225.03935	4.2
245.08115	0.9
249.03954	1.3
265.08682	0.5
272.06729	1.0
277.08459	0.6
287.09149	100.0
291.04984	1.5
292.39236	0.4
311.09116	0.9
329.10226	0.6
337.10843	0.5
351.12354	0.4
352.13004	0.5
353.10245	0.5
355.11761	1.1
372.44199	0.5
395.06317	0.6
521.77478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01876	0.5
55.05516	0.6
56.05032	0.4
56.96558	0.7
60.04512	0.4
61.02925	1.0
67.05509	0.7
69.03436	2.1
69.07071	0.9
70.06592	7.3
71.06887	0.5
71.52230	0.4
72.08154	2.8
72.95535	0.4
73.02929	0.5
74.06073	0.7
79.05485	1.0
81.03419	1.2
81.07061	0.7
83.06139	0.5
84.04486	0.9
84.08154	3.6
85.02898	3.7
86.09708	4.0
89.03912	2.9
91.05486	8.5
93.07047	0.7
95.04940	0.5
95.08621	0.4
97.02906	2.0
98.97588	1.1
102.05562	0.6
103.05460	4.2
105.07021	1.6
106.04200	0.5
107.04976	1.1
107.08587	1.1
109.02865	0.9
109.06506	0.5
109.10156	0.5
110.07137	1.9
111.04429	0.5
115.05437	0.5
116.07087	0.5
117.03384	10.5
117.07055	0.4
119.04944	16.3
119.08520	0.6
120.08101	1.7
121.02895	1.0
121.06510	1.6
123.04442	0.9
127.03928	0.8
129.10229	1.9
131.04933	4.1
131.08626	0.5
133.06502	1.5
133.10133	0.8
134.03621	1.0
135.04404	1.2
135.07985	0.5
136.07579	0.6
137.05954	3.5
137.09619	0.5
143.08482	0.4
145.02847	19.0
145.10144	0.6
147.04413	100.0
149.05983	3.8
151.03911	1.3
151.07513	1.2
153.05463	0.7
158.99783	0.4
160.05206	0.8
161.05974	1.8
163.03903	3.3
163.07590	2.2
167.03392	0.5
167.07053	5.5
173.06032	0.8
175.07501	2.0
177.05479	35.0
179.07039	37.9
186.05450	0.6
187.07513	0.9
188.06995	0.5
189.05435	1.2
191.07071	0.7
193.08575	1.1
195.06741	0.5
201.05402	2.0
203.07034	1.3
205.08632	0.4
206.04480	0.5
207.06525	0.5
209.06004	0.5
211.16962	0.5
212.84592	0.4
216.10657	0.4
217.08647	0.5
231.06566	0.9
243.10098	0.5
249.07501	4.0
265.08438	0.7
277.10962	0.5
277.25525	0.5
278.08765	0.5
283.09506	0.7
287.05664	0.8
289.10928	0.9
301.10754	0.8
309.11389	0.6
310.11545	0.6
319.11673	0.6
319.20764	0.4
325.10605	0.7
327.12335	0.4
331.11789	0.8
337.21768	0.5
355.11816	0.8
357.13281	0.7
359.12234	0.5
367.14014	0.7
385.12976	0.4
391.03369	0.7
403.13959	0.4
433.15216	0.5
445.15097	0.5
488.16705	0.8
499.17667	0.5
535.14172	2.1
535.22479	0.7
550.31677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01871	4.5
55.05515	20.9
57.03434	4.0
57.07081	10.8
57.56855	1.2
61.02919	1.5
63.40960	1.1
65.03921	2.4
67.05508	86.0
69.03426	13.3
69.07069	25.6
69.26405	4.8
69.26842	6.5
71.04987	3.2
71.08621	5.9
73.02905	1.7
78.73238	1.1
79.05071	2.0
79.05499	29.8
79.07667	1.2
81.03422	17.9
81.07058	100.0
83.04966	4.7
83.08167	1.3
83.08629	19.3
85.02908	18.4
85.06541	2.6
91.05487	23.9
93.06491	2.2
93.07053	36.4
93.28506	1.2
95.04968	5.7
95.08612	70.9
97.02895	11.2
97.06551	6.5
97.10183	10.3
99.04471	6.8
99.08084	3.5
103.03969	1.8
104.10737	7.0
105.06387	2.3
105.07031	22.4
107.05002	1.3
107.08602	21.7
108.04461	2.2
109.02954	2.8
109.06521	2.5
109.10157	32.0
111.04457	5.5
111.08096	3.6
111.11713	2.4
113.09682	2.7
117.07017	7.2
119.08587	18.3
121.06503	3.7
121.10157	20.2
123.08053	1.8
123.11720	14.2
125.09621	2.7
127.03910	9.9
127.11128	1.5
129.05501	2.0
129.06990	2.9
131.08592	10.2
133.06480	2.1
133.10143	15.6
135.11702	11.1
137.09621	2.7
137.13249	6.7
139.11118	2.0
143.08514	3.2
145.04970	3.1
145.10106	8.7
147.08052	2.1
147.11693	10.7
149.13248	6.9
151.11195	3.2
151.14859	4.7
157.10153	1.8
159.08081	2.3
159.11731	3.8
161.13263	12.7
163.11183	1.4
163.14847	7.7
165.12747	2.2
165.16437	2.6
171.11682	3.5
173.13257	3.6
175.07463	1.8
175.11275	1.4
175.14833	10.0
177.16371	3.1
179.14323	2.4
179.17929	2.3
187.11287	1.6
187.14851	2.6
189.16415	2.5
191.14340	1.7
195.13782	2.3
197.13304	1.5
199.14827	2.2
201.12692	1.6
201.16385	2.4
203.17888	2.2
213.16377	2.2
217.15747	1.6
229.15802	2.2
233.15326	1.7
235.13229	3.0
243.21056	1.7
245.22656	22.9
257.22757	1.5
259.16724	1.8
261.22205	4.3
263.23712	37.0
273.22076	2.4
275.23776	4.5
277.14310	4.4
279.23172	5.2
287.23843	3.2
291.23135	7.2
293.24866	6.6
295.15356	1.3
303.23300	4.0
305.24854	8.2
315.23349	2.3
317.24835	4.7
321.24316	4.2
325.25336	2.4
329.24683	3.7
333.24072	2.2
335.23798	1.6
337.27264	12.4
343.26242	4.1
347.25879	3.0
353.24704	8.2
359.25757	2.0
371.06793	1.4
371.25809	29.9
389.26889	27.5
407.27979	35.0
425.29001	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	534.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08342	1.6
53.03951	8.5
55.01864	6.3
55.05507	7.3
56.96572	1.9
57.03439	6.4
57.07074	10.5
61.02936	3.3
65.03953	3.3
67.05507	19.9
68.99808	2.1
69.03091	2.1
69.03433	27.3
69.07059	13.3
70.06602	16.6
70.72165	1.7
71.04991	7.8
71.51672	1.8
71.52056	2.7
72.08153	5.4
73.02915	5.6
74.54500	1.7
76.02256	1.7
79.05493	25.5
81.03432	16.3
81.07057	93.8
83.08619	2.0
84.08143	7.5
84.57042	1.9
85.02905	64.3
86.09714	7.9
87.00833	31.0
87.04448	2.1
89.03904	2.5
91.05474	35.9
93.07044	75.4
95.04967	9.7
95.08608	78.6
97.02893	37.1
97.06518	2.9
98.97572	3.1
99.04468	12.7
103.05494	3.1
105.01868	68.9
105.04531	2.2
105.07037	49.7
107.04939	1.9
107.08597	44.8
108.04468	3.0
109.02877	14.0
109.06540	6.7
109.10155	10.8
110.07175	4.2
110.67063	1.6
111.04467	2.4
111.08081	13.2
113.02378	4.4
113.06031	2.4
115.03932	2.5
116.07048	2.8
117.03371	3.2
117.07026	8.9
119.04956	5.4
119.06027	1.8
119.08579	32.6
120.08126	4.5
121.06524	8.9
121.10145	100.0
123.08085	5.9
123.11703	27.0
125.05973	4.0
127.03917	57.8
128.06187	2.8
129.01868	2.3
129.10262	3.0
130.07817	2.5
131.08556	24.7
133.10126	22.8
134.10938	6.3
135.08057	7.8
135.11737	4.4
137.05975	9.3
137.12190	2.8
137.13258	53.4
139.07547	6.3
139.11156	4.4
142.07745	1.8
143.08530	2.7
145.02957	10.3
145.04971	32.2
145.06299	2.4
145.06630	2.8
145.10132	38.9
146.03214	2.2
147.08011	6.7
147.11702	10.7
149.05963	3.1
149.09641	2.5
149.13268	2.3
151.03935	4.1
151.05046	2.3
151.07539	10.8
153.09073	2.8
155.08565	3.4
156.05804	1.8
157.10146	13.6
158.99640	1.9
159.02910	7.6
159.08080	5.1
159.11690	39.4
161.06001	2.0
161.13303	2.8
163.07556	4.2
165.09087	2.5
167.03433	3.9
167.07033	5.3
168.07372	2.9
169.10062	3.7
171.11629	2.6
173.09608	8.7
173.13277	3.5
175.11217	3.3
177.05525	18.0
177.06918	2.9
177.09077	11.2
181.08617	2.3
182.10948	2.2
187.11189	3.4
187.14822	47.1
189.03972	2.2
191.10643	4.6
194.08141	5.4
197.13255	7.0
199.07503	2.0
205.15884	4.9
215.14325	27.0
217.08609	7.7
221.09698	2.0
223.53462	2.1
231.05060	23.1
233.15370	71.9
234.06679	2.1
235.65738	2.1
249.06071	21.4
249.09102	5.8
251.16371	4.1
262.09534	2.2
265.08682	2.6
266.09009	2.6
268.19092	5.9
277.08514	10.7
284.09723	5.5
285.07581	19.1
286.07904	33.3
286.10886	2.7
309.11169	8.1
323.09064	4.4
326.11438	3.6
327.12347	2.3
341.13870	4.9
445.18381	2.4
463.19547	5.4
535.15204	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10585	0.6
53.03944	1.3
57.56584	0.4
66.75178	0.5
67.05496	0.5
70.06601	0.5
79.05488	0.9
81.07045	0.5
81.33141	0.4
82.27998	0.4
85.02878	0.5
85.63496	0.4
86.09708	4.7
91.05480	6.5
93.07047	4.9
94.04176	3.9
95.04969	1.8
95.08604	0.9
98.21555	1.6
102.04657	0.5
103.05466	4.3
105.04534	1.0
105.07035	1.8
107.04963	0.7
107.08580	0.7
109.06483	0.7
115.05458	0.9
117.07059	0.5
118.83633	0.5
119.04941	1.5
120.05727	2.3
121.06510	20.7
122.03655	6.5
125.00002	3.8
130.04149	0.6
131.04918	1.8
133.06503	1.1
137.05978	71.0
143.04930	0.9
145.02844	1.2
145.06477	1.5
146.03629	0.7
147.04396	1.2
149.05972	0.9
151.03922	2.3
158.03676	1.7
161.05989	6.3
162.06787	2.6
172.05203	0.6
173.05986	4.6
175.03891	0.9
177.05495	2.0
177.06914	0.6
178.07829	0.7
184.07346	12.8
185.06001	0.7
186.03111	0.7
189.07027	1.7
190.07771	0.7
201.05461	18.3
205.06517	1.5
206.07224	2.4
207.08096	0.6
213.05447	5.3
217.06607	1.2
218.07230	1.0
219.06377	0.8
219.08160	1.4
221.09669	0.9
227.07166	0.6
229.45477	0.7
230.08131	0.7
231.06433	3.5
233.06036	1.7
234.06747	7.4
235.07562	2.5
237.09126	0.8
245.05905	2.9
246.06805	1.2
247.07661	2.0
248.08411	1.0
249.09094	5.7
250.06326	0.7
251.07115	1.6
259.07568	1.4
261.05334	0.9
261.09244	0.8
262.06271	10.0
263.07086	2.2
264.07813	1.0
265.08612	2.2
266.09250	0.7
273.05432	3.1
274.06244	1.6
275.06970	0.8
276.07831	1.2
277.08582	15.5
278.05902	0.8
278.09195	0.9
279.06522	2.8
279.10101	1.5
280.07065	0.7
287.06989	1.2
289.04788	0.8
290.05710	13.4
291.10098	0.7
292.07428	1.5
293.08133	2.2
294.08835	3.0
295.09695	1.8
304.07352	1.2
305.08081	28.8
306.08652	0.8
307.06210	1.4
307.09662	3.7
309.11230	2.8
319.09756	2.7
322.08298	4.0
325.10684	2.8
337.10696	100.0
338.14029	2.6
350.13782	0.8
355.11829	1.9
442.16812	2.7
462.19119	2.1
474.19003	5.3
492.20242	2.5
508.60068	0.5
533.40179	1.4
534.21356	8.0
534.28583	1.4
534.40594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	59.6
65.09526	0.7
69.59604	2.5
69.60017	0.8
70.06590	2.7
71.95241	1.0
72.08143	2.0
72.96048	3.2
74.06074	1.0
81.03404	0.6
83.97635	2.2
84.04510	1.5
84.08145	1.7
85.02898	0.9
86.09715	4.2
91.05469	0.7
98.21489	1.2
102.05521	0.8
102.70473	0.7
103.05456	0.9
107.04913	0.6
110.07165	1.1
110.15237	0.6
112.78441	0.6
120.07249	1.4
120.08099	20.9
121.08437	0.9
129.10214	0.9
131.04907	0.7
132.10204	1.3
137.05977	1.3
144.96802	0.9
147.04384	0.9
148.82867	0.6
149.02779	0.9
149.05983	0.6
152.06984	0.7
163.00662	1.1
163.03934	0.9
165.02238	2.0
166.08641	11.6
166.38120	0.6
167.00252	0.7
167.03886	0.8
176.03851	11.9
176.05261	1.1
178.05443	7.7
179.00177	0.8
180.70201	0.7
181.01718	2.2
182.48627	0.7
183.03287	5.4
186.02306	0.8
190.01807	0.9
191.95480	0.8
192.03314	2.1
194.04982	5.2
196.06522	5.4
197.01289	1.6
198.30112	0.6
201.04323	4.2
204.03282	7.3
208.02829	5.5
210.04414	1.8
215.02432	0.7
215.14235	0.7
219.01842	0.7
222.04382	47.4
226.03957	2.6
240.05444	42.1
245.05911	1.1
264.36484	0.6
279.11942	0.7
351.10065	1.8
369.11237	100.0
370.11673	1.1
387.12283	8.8
409.46484	0.7
410.13861	1.9
489.80847	0.7
516.79547	0.7
534.30408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26544	0.2
53.03949	0.3
53.64860	0.2
55.05505	0.3
56.05021	0.3
56.96569	0.3
62.01585	0.3
63.02369	0.4
63.67279	0.2
65.03942	0.6
67.05509	5.0
69.03423	0.6
69.07072	0.5
70.06592	3.9
71.52011	0.2
71.52393	0.3
72.08160	1.7
75.89697	0.2
78.04727	0.5
79.05470	0.2
81.03419	0.9
81.07070	0.4
83.08652	0.2
84.04495	1.2
84.08151	1.6
85.02903	0.8
86.09715	4.0
89.03919	7.5
91.05496	1.0
92.04983	0.3
93.07044	0.4
95.04971	1.8
97.02916	0.5
101.07161	0.4
102.05550	0.4
103.05477	0.6
105.03399	0.2
105.06978	0.3
106.04192	0.6
107.04954	0.3
110.06059	0.3
110.07162	0.6
111.04419	0.4
111.98475	0.3
112.08684	0.3
115.08708	0.3
117.03384	22.0
119.04951	0.3
119.08595	0.3
120.04475	0.3
120.08102	0.7
121.06509	0.5
124.05194	0.2
124.83327	0.2
127.03893	0.3
129.10266	0.7
131.08583	0.2
134.03656	1.8
135.04420	1.2
135.11703	0.3
137.05978	0.5
138.05505	9.9
145.02847	48.2
147.04433	0.5
149.05980	7.1
149.07146	0.5
151.03888	0.5
151.07492	0.4
155.08157	0.4
158.06052	0.3
163.03835	0.4
166.04999	4.7
167.07045	0.9
168.07487	0.4
175.07628	0.4
176.07941	0.2
177.05472	100.0
178.05942	0.3
186.05530	1.8
215.13945	0.2
231.12369	0.3
239.15067	0.6
265.08609	0.2
284.12341	0.3
304.65237	0.2
309.10947	0.4
342.28915	0.3
351.10617	0.8
354.14166	0.5
534.15796	0.4
534.43311	0.3
549.27380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3474
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
55.05506	3.3
67.05502	3.9
69.07063	6.3
69.60816	12.4
71.04973	2.2
73.65317	1.8
78.49826	1.8
79.05482	5.2
81.07059	16.4
83.08597	4.2
85.06545	2.0
88.94901	1.9
91.05493	5.1
93.07037	11.4
95.08604	14.7
105.07034	34.6
107.08604	13.6
109.10164	10.9
119.08570	13.2
121.10135	7.8
123.08063	2.1
123.11708	2.8
131.08568	7.1
133.10121	8.7
135.11684	7.8
137.13368	2.0
143.08545	4.9
145.10133	8.8
147.08078	2.2
147.11684	12.3
147.96277	2.2
149.13185	3.0
152.16508	2.0
153.09027	2.0
157.10117	4.4
159.11694	27.6
161.13257	40.5
163.14839	3.3
165.05461	2.5
169.10080	2.9
171.11685	8.4
173.13293	6.3
175.11163	2.7
175.14966	2.6
183.11629	3.9
185.13278	8.4
187.11165	9.8
187.14796	7.7
189.12750	22.9
189.16351	11.5
193.12143	2.0
197.13289	2.7
199.14772	5.1
203.14337	3.6
205.12244	27.8
207.13867	5.2
207.17485	4.5
211.14706	3.7
213.16345	4.6
215.14218	2.4
221.70444	2.1
223.17007	4.4
225.16466	3.0
231.13736	4.1
233.11737	9.6
235.13156	2.5
239.17889	4.9
253.19420	3.6
391.29703	4.0
405.26346	5.2
409.31076	15.8
419.29105	2.4
427.32092	37.7
437.30304	9.1
455.31595	22.1
473.32654	100.0
487.34235	31.9
528.17633	2.5
533.34601	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.05520	2.1
57.07066	1.8
57.99684	1.1
60.06725	1.2
67.05515	5.9
69.03440	2.8
69.07068	10.1
70.06594	2.2
72.08146	1.7
79.05494	14.7
81.03425	2.0
81.07055	11.0
84.08127	1.4
85.02893	4.0
86.09712	100.0
91.05492	6.8
93.07056	24.9
95.04978	2.1
95.08591	6.3
97.02886	2.2
97.06567	1.5
98.20784	4.1
98.97584	3.2
103.28716	1.1
105.07027	4.3
107.04939	2.5
107.08605	14.4
109.06511	2.1
109.10188	2.6
111.08041	1.1
111.62493	1.4
116.38646	1.1
116.98589	1.7
117.07027	2.7
119.04929	1.8
119.08581	3.4
121.06498	5.6
121.10163	3.9
128.10735	2.5
131.08533	1.9
132.10213	57.4
133.10121	5.9
135.08069	1.6
135.11719	16.9
137.06003	3.5
145.02855	2.5
145.10106	1.4
147.11690	1.5
149.13271	16.2
151.03908	1.7
151.11191	1.9
151.14830	2.9
153.12750	1.9
158.99782	1.4
159.11710	4.0
161.13231	1.7
167.07112	2.8
177.00725	1.5
177.05447	6.0
177.12756	9.1
183.12051	1.2
192.13719	1.6
221.04469	1.5
245.04623	1.3
254.17551	10.3
262.21704	11.9
265.08728	1.6
269.66452	1.2
270.05273	2.7
280.22726	3.9
283.05905	1.6
285.07568	10.2
308.22208	89.0
308.69986	1.2
316.98489	1.9
326.23297	60.4
373.25635	1.3
533.17859	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.8
55.01872	3.8
55.05523	1.4
56.96567	1.1
57.03447	6.9
59.04997	1.2
61.02932	11.2
65.96207	0.5
67.05515	2.1
69.03436	32.3
69.07069	9.2
70.06598	1.7
70.84109	1.3
70.84436	0.7
71.04993	4.5
72.08160	0.8
73.02918	4.2
79.05492	2.4
81.03429	11.7
81.07056	4.0
83.01347	1.3
83.04987	1.2
83.08617	1.4
83.44891	0.6
84.08149	1.3
84.79620	0.6
85.02914	100.0
85.06508	0.6
86.09718	1.4
87.04475	5.5
89.03931	3.0
91.03953	5.0
91.05488	6.7
92.72523	0.6
93.07055	5.2
95.04977	7.8
95.08621	3.7
97.02902	37.7
97.06539	4.0
98.97585	0.7
99.04471	6.9
103.04034	0.8
103.05476	1.5
105.07046	3.4
107.04954	1.0
107.08624	5.7
109.02895	11.2
109.06530	4.6
109.10154	1.6
113.06029	1.1
113.38718	0.5
115.03957	1.1
117.03406	8.3
119.04966	6.7
119.08614	4.3
121.06512	6.0
121.10163	3.5
121.62618	0.6
122.07282	4.5
123.08081	19.6
123.11758	1.0
127.03931	25.6
129.01854	0.6
131.08598	1.8
133.10149	6.8
135.08070	28.6
135.11708	4.6
137.05960	1.0
137.09637	1.6
139.07538	0.6
145.02878	19.5
145.04967	39.9
145.10129	1.4
147.04430	21.0
147.11690	3.3
149.05986	4.0
149.09679	2.0
149.13295	1.6
151.07515	1.0
159.08029	0.7
161.09686	1.2
161.13257	0.8
163.03989	0.8
163.06078	7.2
163.14816	1.1
165.12778	21.8
167.07014	1.6
171.06560	2.3
173.13278	1.4
175.14856	5.1
176.11975	2.5
177.05490	34.6
177.12782	1.0
185.41954	0.6
186.05589	0.8
189.07599	3.3
191.14326	95.1
193.15906	14.6
193.17664	0.8
207.13806	3.7
209.15375	18.4
237.03038	0.7
309.17130	1.0
325.11047	0.8
327.18112	0.8
335.18539	0.8
344.64697	0.7
353.19473	3.7
371.20703	12.5
396.10925	0.9
401.59314	0.6
411.01263	0.6
415.16525	1.4
533.26001	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
54.68168	0.9
55.01854	2.3
55.54904	0.7
56.96548	1.0
57.03416	1.4
61.02919	2.1
61.14273	0.7
67.05495	0.9
67.95831	0.7
69.03433	9.0
69.07057	0.8
69.34232	4.5
69.34650	1.9
70.06590	5.0
71.04994	0.8
72.08144	2.5
76.85410	0.7
78.04701	2.8
79.05495	9.9
81.03412	2.6
81.07058	1.2
81.49159	0.8
84.04495	0.7
84.08138	2.9
85.02439	1.2
85.02908	17.4
86.09710	2.1
87.20199	0.8
89.03924	1.0
91.03966	1.6
91.05466	5.4
93.07032	1.1
95.04971	2.2
97.02885	5.4
98.21532	1.6
98.97581	2.4
99.04482	1.2
103.05441	3.8
105.03403	0.8
105.07037	7.5
106.04174	1.9
107.04951	17.2
107.08553	0.9
109.02864	2.7
109.06552	0.8
110.07140	1.1
110.97567	1.3
111.75647	0.8
115.05455	3.2
117.03379	2.9
117.07027	2.1
119.08592	3.6
120.08088	1.5
121.06521	1.9
122.03673	1.2
123.04431	5.9
124.05234	4.3
125.06007	1.3
127.03905	3.2
128.06219	2.8
129.07045	4.8
129.10245	1.5
130.04056	0.7
131.04924	5.0
132.05711	4.2
133.06519	6.7
133.10141	1.5
137.06001	4.1
141.06978	1.7
143.04938	0.9
144.05667	1.2
145.02840	4.7
145.04898	1.5
145.06502	1.8
147.04381	1.9
147.08049	4.4
149.05991	2.0
149.09572	0.8
151.03911	1.5
151.11211	1.4
152.04704	3.0
153.05426	2.0
156.05650	1.8
159.08015	4.4
160.05217	3.0
161.05974	9.1
163.03947	1.5
165.06914	0.8
167.07042	100.0
169.06468	1.6
169.08719	0.7
171.07976	1.0
172.05200	1.1
175.07550	40.5
176.04713	1.0
176.24557	0.7
177.05475	11.1
179.06944	1.5
184.05203	1.2
187.07547	18.7
187.09190	1.3
189.06990	1.7
189.09061	1.6
190.07767	2.2
190.95131	0.7
191.07034	10.3
191.08598	1.4
191.14357	1.3
192.07860	1.4
193.08623	15.8
199.07555	13.8
201.09090	3.0
202.07698	1.6
203.08566	2.9
205.10173	1.1
206.07286	2.0
209.08104	1.5
209.15381	1.1
215.08569	2.3
217.06557	0.8
218.07303	4.2
219.01688	1.1
219.08057	3.5
220.08887	1.1
221.09633	2.9
229.06627	1.1
231.08128	1.8
232.08846	1.9
233.09673	4.7
234.06772	2.0
235.07481	2.4
237.02852	1.4
237.09363	0.8
238.70383	0.8
241.42776	0.7
243.08104	1.1
246.06813	2.8
247.07545	1.1
248.08264	1.3
249.09085	5.4
250.09892	1.6
251.07051	1.3
257.06104	0.8
259.07617	2.2
260.08344	2.1
261.09128	7.2
262.09943	0.9
263.07056	2.3
263.10782	0.9
265.08649	0.9
266.09280	1.0
274.06262	1.3
276.07587	0.8
277.08606	3.5
278.09357	3.4
280.07150	0.9
281.11633	5.1
289.08646	6.3
290.09317	2.4
291.06674	1.8
291.09998	1.8
293.11511	3.6
294.09036	1.6
295.09634	0.8
303.10303	0.8
306.08783	2.0
307.09567	2.1
309.11145	7.7
319.08487	0.9
321.11261	15.0
322.11917	2.4
325.14294	1.5
326.11554	2.6
338.11456	1.7
341.13855	21.7
353.10385	1.1
353.13831	25.4
355.15439	2.4
412.17056	1.2
492.12973	6.9
510.14157	1.0
524.90942	0.9
527.94354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
55.41946	0.9
56.68427	0.7
57.07072	2.9
67.05519	3.8
67.51734	0.7
69.07053	2.8
70.12142	0.7
71.08639	2.1
73.02927	0.9
80.38000	1.0
81.07056	4.8
83.08634	2.0
87.04454	2.9
91.05463	2.3
93.07029	1.7
95.08617	3.8
97.10193	1.1
101.29528	0.9
105.00089	2.7
105.06990	2.2
107.08573	1.4
109.10116	1.7
114.00932	0.8
117.03350	2.2
119.08602	1.9
121.10139	1.8
133.10190	1.1
135.11688	1.2
143.08557	1.1
145.02821	6.8
145.10126	1.3
146.03206	2.2
147.11618	1.1
149.05960	0.8
159.11676	1.4
164.58539	0.8
171.11673	1.0
172.66249	0.7
177.05487	15.5
178.05824	6.2
179.14282	1.0
181.10133	0.9
186.05598	0.8
195.09932	2.2
206.81409	0.8
223.14902	1.0
225.04427	0.8
252.42174	0.8
255.13756	1.0
266.14090	1.0
279.21262	1.1
283.03162	0.9
349.27435	1.4
377.24738	1.5
404.61237	0.9
418.59805	0.7
494.23224	0.9
531.36591	100.0
531.48096	8.3
532.36835	1.4
539.78381	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.4
57.03448	0.7
58.34587	0.3
61.52001	0.3
63.02360	0.3
67.05519	0.3
69.03444	0.4
69.11240	0.3
69.57560	0.5
69.57966	1.6
70.06593	2.3
71.04996	0.7
72.08160	0.7
78.10609	0.3
81.07070	0.6
84.08144	1.1
85.02897	1.4
86.09707	1.8
88.53625	0.4
89.03916	5.9
89.06026	0.4
91.05463	1.1
92.90396	0.3
93.07053	0.7
95.04934	0.4
95.08641	0.4
97.02919	0.4
103.05481	0.5
104.07096	0.5
105.07018	0.4
106.04183	0.7
107.08572	0.6
110.07148	0.5
113.02345	0.5
117.03380	17.3
119.08589	0.5
120.08128	0.7
121.06484	0.8
122.02751	0.4
133.02831	1.9
134.03645	1.0
135.04425	1.3
136.07608	0.5
137.05966	1.1
141.01862	0.4
145.02847	49.4
145.08614	3.9
145.09758	0.6
149.05991	7.3
155.08620	0.4
163.03862	0.6
163.07530	0.4
168.07318	0.4
177.05472	100.0
186.05513	1.4
188.85025	0.4
204.21466	0.4
221.01219	0.3
251.09248	0.8
260.06741	0.5
267.55078	0.4
321.11777	2.7
353.08652	5.6
427.12207	0.4
487.99109	0.4
532.19440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77635	0.5
57.07058	0.7
64.31535	0.5
66.59399	0.5
67.05515	0.6
69.07084	0.6
69.26687	0.4
70.77023	0.7
70.77329	0.7
72.08161	4.2
76.56572	0.5
79.05470	0.6
81.07047	1.0
81.19262	0.4
87.04471	6.9
89.03928	4.6
92.07032	0.6
92.70043	0.5
93.07050	0.9
94.84522	0.4
99.65723	0.6
109.10129	0.6
110.94165	0.4
117.03391	14.7
117.04660	0.6
121.88184	0.5
134.03618	0.9
135.04405	0.7
145.02855	46.6
146.03238	0.5
149.06009	4.9
177.05481	100.0
186.05476	3.3
248.12811	6.0
266.13882	8.1
354.33728	0.6
530.38354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.332
Annotation	Fusilactidic acid
Peak:m/z	Relative Intensity
55.05521	1.5
67.05476	2.5
69.07063	3.7
69.32474	5.9
69.32908	4.3
70.53649	1.2
73.93820	1.0
79.05479	2.3
81.07069	8.4
91.05468	3.4
93.07041	7.2
95.08611	8.7
97.06516	1.6
105.07040	18.4
107.08604	8.4
109.06505	3.6
109.10127	3.3
111.08066	1.7
113.53932	1.2
119.08584	16.6
121.06490	1.7
121.10121	7.1
123.08042	2.4
123.11728	2.2
129.06960	1.4
131.08575	7.8
133.10112	11.4
135.08064	1.5
135.11667	4.0
137.06003	1.6
137.09622	2.7
142.07745	1.4
143.08524	4.7
145.10144	9.0
147.08008	2.3
147.11702	9.0
149.09636	1.7
149.13226	2.4
155.08531	2.1
157.10158	4.6
159.11676	18.6
161.09595	3.0
161.13271	36.1
163.11143	1.5
163.14832	2.7
169.10115	2.6
171.11650	9.7
173.13344	7.8
175.11203	1.9
175.14781	3.5
177.12683	1.6
179.14278	2.6
183.11742	3.4
184.23093	1.2
185.13280	15.1
186.34941	1.2
187.11230	2.9
187.14783	11.0
189.11107	2.2
189.12750	35.3
191.14317	93.9
197.13281	4.0
199.14754	3.6
201.12820	1.9
201.16399	3.2
203.14330	11.3
205.12288	1.5
205.15837	2.4
207.13834	7.1
217.15848	1.4
219.13811	2.1
219.17328	1.5
221.15416	2.6
225.16455	1.8
231.13843	3.0
235.13263	5.3
239.17912	2.9
241.19579	1.7
253.19507	1.9
266.72235	1.4
276.10101	1.3
311.14804	2.0
352.25812	1.4
354.81152	1.4
373.23831	4.9
377.28464	1.9
389.28464	3.2
395.29495	4.4
403.24823	9.9
407.29489	6.6
409.30856	1.7
425.30527	71.1
435.29153	1.6
453.29865	6.2
471.31110	100.0
485.26141	2.2
485.32718	39.4
513.31775	1.6
531.33447	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
55.01868	3.1
55.05519	3.4
56.05032	1.3
57.03435	2.3
59.05002	3.1
67.05508	5.4
69.03095	1.3
69.03438	13.1
69.07067	1.2
69.41028	4.2
69.41441	1.5
70.06608	8.4
71.01355	2.3
71.05006	2.2
72.08141	2.4
73.02917	2.6
75.04481	3.1
79.05499	6.5
81.03419	1.4
81.07065	16.0
83.01348	1.3
83.08615	3.7
84.04505	2.1
84.08154	1.7
85.02909	14.0
86.06071	7.5
86.09723	5.1
87.04474	22.0
89.03941	6.7
93.07044	1.8
95.04956	1.8
95.08611	25.9
97.02303	1.5
97.02898	21.1
97.06539	35.2
99.04465	1.9
99.08088	1.1
101.02368	1.5
101.06030	2.8
105.07053	1.9
110.07170	2.1
110.75258	0.9
111.04462	5.3
111.08085	6.8
113.02370	2.4
115.03947	2.3
116.07144	1.4
117.03392	20.9
120.08073	1.9
123.08086	22.0
125.02350	3.0
127.03938	1.0
129.04541	1.1
129.05498	19.3
129.10269	1.3
134.03653	1.4
137.06000	1.2
141.09119	56.6
143.03360	1.4
143.06943	0.9
145.02853	50.9
147.06531	16.8
149.05994	6.8
160.09686	4.2
163.03908	1.2
175.06038	35.6
177.05482	100.0
178.05858	1.6
178.10776	3.1
193.07094	34.1
198.73129	1.0
251.09201	9.6
297.13150	1.0
315.14395	27.6
333.15500	11.0
336.14542	9.1
354.15298	10.2
427.12253	1.2
530.33069	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.07051	0.5
63.02351	0.5
67.05492	0.4
68.40663	0.4
71.23722	0.8
72.08162	4.4
76.61726	0.4
81.07057	0.5
87.04477	4.9
89.03925	4.0
90.09182	0.5
91.05472	0.5
93.07072	0.5
98.20981	0.4
107.87211	0.3
117.03386	14.3
134.03627	1.1
145.02852	43.3
149.05991	5.0
158.05998	0.4
177.05479	100.0
186.05495	3.1
248.12849	5.5
266.13876	9.3
280.45398	0.4
354.33694	0.8
530.37964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68977	0.1
67.05500	0.4
69.07072	0.2
69.30744	0.3
69.31157	0.7
72.08136	0.2
81.07053	0.4
88.07632	0.1
92.02498	0.2
93.42154	0.1
94.04051	0.6
95.08598	0.4
97.02938	0.1
97.10091	0.1
100.96825	0.1
102.09177	0.1
104.96249	0.1
109.05106	0.1
109.10088	0.2
119.03564	1.4
123.11699	0.2
129.09244	0.1
133.10187	0.2
136.06195	100.0
137.04596	0.6
141.45772	0.1
150.83505	0.1
153.68130	0.1
198.29840	0.1
198.97446	0.5
206.71022	0.1
256.26471	1.4
257.26709	0.4
268.10480	0.2
277.63715	0.1
313.27374	0.4
415.93735	0.1
530.26514	0.4
530.33386	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	529.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01863	1.3
55.05502	1.4
56.05037	1.1
57.03447	5.4
57.03695	1.3
57.64856	0.9
60.04512	0.9
61.02913	4.0
64.32084	0.8
69.03429	16.5
69.07069	1.6
70.06255	1.4
70.06591	17.0
70.18883	2.2
70.19282	1.7
71.01353	1.5
71.04980	4.1
72.08152	8.5
73.02912	3.5
79.05492	1.1
81.03426	5.0
81.07059	1.0
84.04510	3.5
84.08138	7.4
85.02908	15.9
86.09702	12.4
87.04443	2.3
91.05473	2.0
93.07001	1.0
97.02894	7.1
99.04446	4.2
101.87059	0.9
102.05592	1.0
103.35046	1.0
107.08582	1.1
109.02862	2.0
110.07150	2.6
112.08704	1.0
115.08690	1.0
116.07143	1.0
119.04923	1.1
120.08064	4.2
121.02885	1.4
127.03905	3.3
129.10269	4.4
136.07605	2.6
137.05931	2.5
143.11687	1.2
145.02821	1.8
145.07594	3.6
147.04271	1.2
147.09166	14.3
159.09201	9.7
163.03880	2.3
167.07002	1.7
173.07147	2.0
176.59183	0.9
177.05458	3.2
185.10693	2.5
187.08588	1.3
189.10283	1.4
191.08154	75.1
197.10609	0.9
199.08710	1.4
199.12265	1.2
201.05280	7.8
201.10217	1.2
213.10211	2.2
215.08215	1.5
215.11855	1.2
216.07683	13.9
225.10291	1.0
226.04948	1.1
235.07541	1.1
241.03590	1.5
241.28920	1.1
243.11258	1.3
256.06027	18.6
256.77100	1.0
263.07059	2.8
263.13889	9.6
289.11792	4.6
298.10690	7.3
303.39627	1.1
303.64221	1.1
307.12881	69.8
316.11746	6.8
323.09216	9.7
350.13467	78.6
412.17303	1.3
422.15970	1.0
440.17035	3.8
512.18756	100.0
513.18848	1.1
529.18378	4.7
529.26013	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	528.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77222	0.1
53.03954	0.1
55.05515	0.3
57.07084	0.3
62.01596	0.1
63.02384	0.4
64.68196	0.1
67.05501	0.4
69.07091	0.1
69.71147	0.7
70.06578	0.2
71.08637	0.2
72.08157	4.8
72.21625	0.1
74.43203	0.1
78.04725	0.2
79.05495	0.2
81.07063	0.5
88.07614	0.1
89.03919	4.5
89.06022	0.1
90.09188	0.4
91.05481	0.4
93.07058	0.2
94.14212	0.1
95.08593	0.3
98.06038	0.3
100.72407	0.1
101.14506	0.1
102.09219	0.2
103.05458	0.2
105.03541	0.1
106.04150	0.2
117.03382	13.8
119.04943	0.1
133.08624	0.2
134.03607	0.8
135.04446	0.7
145.02849	41.6
146.11761	0.2
149.05986	4.6
151.07495	0.1
158.06046	0.6
162.03107	0.1
163.03902	0.4
177.05470	100.0
178.05824	0.5
186.05502	3.4
187.05815	0.1
200.20023	0.2
228.23236	0.2
244.22562	0.1
246.88681	0.1
248.12834	6.6
266.13885	8.5
268.15445	0.1
272.25858	0.3
283.26224	0.5
288.26172	0.1
311.29410	0.4
337.93961	0.1
352.32132	1.0
465.36847	0.1
528.37366	0.9
528.49811	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.1
55.05515	0.4
57.07071	0.3
63.02390	0.4
66.73235	0.1
67.05513	0.4
69.07072	0.2
70.06594	0.3
71.08620	0.3
71.23438	0.2
71.23752	0.1
72.08160	5.2
73.06530	0.1
75.43962	0.1
78.04705	0.2
79.05501	0.2
81.07059	0.4
83.08624	0.1
88.07613	0.2
89.03921	5.2
90.09196	0.5
91.05479	0.4
93.07026	0.2
95.08591	0.4
98.06004	0.1
103.05483	0.2
106.04182	0.3
117.03387	17.1
124.05183	0.1
134.03650	1.1
135.04433	0.9
145.02852	45.4
146.03247	0.2
147.04369	0.1
149.05992	5.6
151.07559	0.2
158.06065	0.7
162.03201	0.2
163.03941	0.6
164.05870	0.1
177.05476	100.0
178.05864	0.6
186.05521	3.8
228.23036	0.1
248.10236	0.2
248.12840	5.1
266.13892	9.1
272.25821	0.2
283.26309	0.4
311.29443	0.2
352.32086	1.2
510.16058	0.1
528.36926	0.5
528.49792	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46874	0.5
54.03673	0.4
55.05507	0.5
55.39273	0.4
56.05040	1.0
60.04530	0.8
67.05495	0.6
69.03434	0.8
69.07054	0.7
69.34099	2.9
69.34505	0.8
70.06597	11.8
72.08158	3.3
74.06091	0.7
76.07670	0.7
79.05485	0.6
83.05036	0.5
83.06097	0.6
84.04513	2.0
84.08152	5.0
85.02907	1.9
86.09705	7.1
91.05483	0.7
95.08580	0.4
97.02923	0.6
100.11242	0.5
102.05544	0.8
103.05537	0.8
108.95203	0.4
109.02853	0.6
110.07181	2.1
112.08720	0.5
112.11244	0.6
116.07089	0.9
117.03384	1.0
119.04934	0.5
120.08135	2.1
121.06543	0.5
127.03947	0.8
129.06664	0.7
129.10271	2.2
130.06560	0.4
135.04501	0.6
136.07602	1.2
137.06001	1.0
143.11781	0.5
145.02895	2.1
147.04437	0.6
152.07098	0.6
159.09267	0.6
163.03952	1.0
164.04327	0.6
166.47005	0.4
171.11353	0.5
173.12933	0.6
177.05473	3.9
179.06999	0.5
182.77817	0.5
197.12898	0.8
201.12410	0.6
214.73949	0.5
215.14046	0.7
220.09772	0.5
229.15715	0.6
246.14882	1.1
264.19324	0.5
308.10168	0.5
314.20880	0.6
322.10489	0.5
346.32202	0.6
366.13144	14.1
405.89020	0.6
408.23810	1.3
423.11664	0.5
426.24765	1.2
474.28394	0.8
492.29425	5.2
528.18481	100.0
528.27063	7.6
529.18829	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.2
57.07080	0.2
59.08405	0.1
60.37085	0.1
63.02383	0.3
65.04805	0.1
67.05515	0.2
69.14719	0.1
69.71297	0.1
69.94548	0.6
70.25908	0.1
72.08166	4.7
73.06570	0.1
73.98412	0.1
78.04723	0.2
79.05484	0.3
81.07059	0.4
89.03925	5.1
89.06035	2.0
90.09211	0.5
91.05504	0.3
93.07056	0.2
95.08611	0.3
98.06057	0.2
103.05506	0.2
105.06999	0.2
106.04176	0.2
107.08572	0.1
109.10193	0.1
117.03392	14.9
133.08627	1.3
134.03618	1.0
135.04422	0.7
145.02858	45.6
146.03221	0.2
147.04457	0.2
149.05995	5.4
151.07559	0.2
151.68742	0.1
158.06024	0.7
162.03195	0.2
163.03909	0.4
177.05484	100.0
178.05862	0.4
184.29633	0.1
186.05530	3.2
200.08900	0.1
248.12849	6.9
266.13901	8.1
268.15546	0.1
268.50824	0.1
278.79364	0.1
327.20151	1.5
350.30472	1.0
526.34894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	15.3
56.04119	3.6
57.03437	9.4
57.07080	7.6
59.05005	4.3
65.03931	5.1
67.05505	100.0
69.07062	17.7
71.08618	4.3
71.52711	6.4
78.52718	3.9
79.05496	8.6
81.07063	46.0
83.08616	13.1
89.06036	74.1
91.05455	7.6
93.07055	14.5
95.08604	30.1
97.06501	5.0
99.08013	4.2
107.08563	6.0
109.10160	66.4
111.08073	4.7
119.08548	7.1
121.10159	6.0
123.11703	4.2
133.08595	50.2
155.10716	5.0
173.11758	20.4
177.11182	15.0
211.15689	3.8
229.14355	69.8
245.22925	3.9
327.20093	50.9
337.27362	85.6
491.37253	63.7
526.35132	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33094	0.5
53.03939	1.4
55.01873	0.7
55.05509	1.3
55.48668	0.5
56.05033	0.8
57.03437	1.0
57.07066	1.6
61.02910	0.5
67.05495	1.8
69.03418	2.1
69.07071	1.1
69.54698	2.4
69.55106	1.0
70.06596	6.9
71.05000	1.3
71.08627	0.5
72.08147	2.1
74.06080	0.7
79.05485	1.5
81.03404	2.8
81.07063	4.7
83.04961	0.6
84.04508	1.3
84.08153	4.4
85.02917	7.7
85.06531	1.5
86.09700	4.2
91.05484	2.1
93.07043	1.5
94.06607	0.6
95.04977	1.2
95.08617	1.7
96.08128	1.6
97.02910	3.1
97.06545	0.9
98.97591	0.7
105.07044	2.3
107.08603	1.5
108.04472	1.9
108.08137	1.2
109.02892	0.8
109.06509	1.3
109.10137	1.9
110.07163	1.3
110.09680	1.4
114.00622	0.6
115.03909	0.7
116.05000	0.7
116.07053	0.5
117.03374	1.0
119.08581	0.9
120.08144	2.5
121.06495	0.7
122.06041	1.0
123.04384	0.8
123.11717	1.4
124.07606	5.5
125.05979	2.6
127.03905	1.8
129.10226	2.0
133.10132	2.1
135.11710	1.5
136.07591	2.0
136.33989	0.6
137.05980	4.4
138.09125	2.0
141.05496	4.2
142.87180	0.6
144.04469	1.4
145.02846	1.4
145.04955	0.8
146.06018	2.1
151.11171	3.5
152.07060	1.4
160.04030	0.8
163.03886	0.6
166.08681	3.2
167.07013	0.6
168.06569	1.9
168.23196	0.5
172.03920	4.8
174.05550	1.7
177.05484	3.1
179.10669	6.1
190.04994	7.5
193.15823	0.9
197.11742	100.0
198.12082	0.8
204.06552	5.6
206.08148	1.9
211.16917	1.2
279.11401	0.8
297.12320	2.6
307.10913	1.1
307.22519	0.6
313.12039	0.9
323.10358	1.1
325.11838	12.5
329.11145	0.7
341.11246	2.3
343.12820	0.9
359.17108	1.8
364.20901	1.4
373.13882	1.9
413.17630	0.7
427.12943	0.7
471.92746	0.6
476.18158	0.7
494.19180	13.1
508.20538	1.0
526.26343	4.3
527.24707	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	526.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
56.05021	2.3
57.07076	3.0
60.04528	1.9
67.05504	4.2
69.03414	2.2
69.07073	6.5
70.06593	23.8
71.51984	1.6
72.08161	9.2
74.06073	1.3
79.05497	5.1
80.04990	1.6
81.07063	15.1
82.06564	3.9
82.07381	3.4
83.08622	4.5
84.04508	3.1
84.08150	12.1
85.02897	3.6
86.09716	15.7
89.03922	2.7
90.21009	1.6
91.05473	6.0
93.07037	8.4
94.06557	7.2
95.07341	3.1
95.08625	10.8
96.08128	16.5
96.08836	2.6
97.02867	2.8
97.06532	2.4
98.97592	2.5
103.05463	3.8
105.07019	2.7
106.06549	2.6
107.04951	1.8
107.08592	7.8
108.04478	4.2
108.08128	11.8
109.10155	3.8
110.07154	4.8
110.09692	12.3
110.10435	2.3
111.08086	2.3
116.04976	9.1
117.03381	5.4
119.08585	1.7
120.04481	2.9
120.08112	17.3
121.06519	8.7
121.10152	2.9
122.06038	10.1
123.11707	4.8
124.07597	49.6
124.11996	2.5
129.10237	7.0
132.04395	1.9
134.06009	2.1
135.11708	4.0
136.07571	16.1
137.06004	7.9
137.13240	3.7
138.09145	21.2
138.13577	2.5
140.07050	1.7
144.04460	11.9
145.02846	7.8
145.04834	1.7
146.06024	11.5
147.11653	2.3
148.07588	8.8
149.05934	1.5
151.04108	1.4
152.07066	8.1
153.12805	2.7
159.09238	1.5
160.03943	6.1
162.05495	4.2
163.03931	4.0
165.05521	1.7
165.12683	1.7
166.08644	36.4
167.07127	1.9
168.06560	3.3
172.03941	45.8
173.04762	1.7
174.05536	5.0
177.05458	12.6
181.38336	1.7
185.09293	1.5
190.05003	70.8
191.05753	2.1
200.53516	1.5
201.16489	1.4
204.06561	41.7
206.08176	3.7
208.09850	1.6
214.50156	1.4
223.12259	1.9
225.10265	3.0
236.09462	2.8
251.11768	4.5
253.09772	1.6
264.08981	2.0
267.11005	2.5
269.09912	1.5
274.26083	1.7
279.11209	7.4
281.09058	2.2
287.10257	5.3
291.26782	1.6
292.27145	3.9
295.10703	2.1
297.12338	18.9
299.10318	7.0
299.13458	1.6
307.10724	4.6
309.28000	2.6
310.28360	5.3
313.11896	2.0
323.10269	11.0
325.11838	100.0
327.28888	3.0
328.29227	3.1
329.11328	25.7
341.11285	15.2
343.12909	14.6
353.11203	2.2
357.13925	1.9
373.13950	2.1
448.18127	2.9
452.17960	6.3
476.18549	13.1
494.19260	92.0
508.19849	6.5
526.26251	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	526.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.9
56.05021	2.3
57.07076	3.0
60.04528	1.9
67.05504	4.2
69.03414	2.2
69.07073	6.5
70.06593	23.8
71.51984	1.6
72.08161	9.2
74.06073	1.3
79.05497	5.1
80.04990	1.6
81.07063	15.1
82.06564	3.9
82.07381	3.4
83.08622	4.5
84.04508	3.1
84.08150	12.1
85.02897	3.6
86.09716	15.7
89.03922	2.7
90.21009	1.6
91.05473	6.0
93.07037	8.4
94.06557	7.2
95.07341	3.1
95.08625	10.8
96.08128	16.5
96.08836	2.6
97.02867	2.8
97.06532	2.4
98.97592	2.5
103.05463	3.8
105.07019	2.7
106.06549	2.6
107.04951	1.8
107.08592	7.8
108.04478	4.2
108.08128	11.8
109.10155	3.8
110.07154	4.8
110.09692	12.3
110.10435	2.3
111.08086	2.3
116.04976	9.1
117.03381	5.4
119.08585	1.7
120.04481	2.9
120.08112	17.3
121.06519	8.7
121.10152	2.9
122.06038	10.1
123.11707	4.8
124.07597	49.6
124.11996	2.5
129.10237	7.0
132.04395	1.9
134.06009	2.1
135.11708	4.0
136.07571	16.1
137.06004	7.9
137.13240	3.7
138.09145	21.2
138.13577	2.5
140.07050	1.7
144.04460	11.9
145.02846	7.8
145.04834	1.7
146.06024	11.5
147.11653	2.3
148.07588	8.8
149.05934	1.5
151.04108	1.4
152.07066	8.1
153.12805	2.7
159.09238	1.5
160.03943	6.1
162.05495	4.2
163.03931	4.0
165.05521	1.7
165.12683	1.7
166.08644	36.4
167.07127	1.9
168.06560	3.3
172.03941	45.8
173.04762	1.7
174.05536	5.0
177.05458	12.6
181.38336	1.7
185.09293	1.5
190.05003	70.8
191.05753	2.1
200.53516	1.5
201.16489	1.4
204.06561	41.7
206.08176	3.7
208.09850	1.6
214.50156	1.4
223.12259	1.9
225.10265	3.0
236.09462	2.8
251.11768	4.5
253.09772	1.6
264.08981	2.0
267.11005	2.5
269.09912	1.5
274.26083	1.7
279.11209	7.4
281.09058	2.2
287.10257	5.3
291.26782	1.6
292.27145	3.9
295.10703	2.1
297.12338	18.9
299.10318	7.0
299.13458	1.6
307.10724	4.6
309.28000	2.6
310.28360	5.3
313.11896	2.0
323.10269	11.0
325.11838	100.0
327.28888	3.0
328.29227	3.1
329.11328	25.7
341.11285	15.2
343.12909	14.6
353.11203	2.2
357.13925	1.9
373.13950	2.1
448.18127	2.9
452.17960	6.3
476.18549	13.1
494.19260	92.0
508.19849	6.5
526.26251	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	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
55.05501	0.9
57.66284	0.5
65.03950	0.4
67.05498	2.4
69.03418	1.0
69.07063	2.5
69.39903	3.5
70.06611	3.2
71.04977	0.5
72.08148	1.7
74.06087	0.4
75.11758	0.4
79.05481	1.6
79.05959	0.5
81.03419	0.6
81.07056	5.5
83.08625	0.7
84.08143	1.5
85.02912	1.6
85.06537	0.8
86.09702	1.9
88.95113	0.5
89.03915	0.7
91.05492	1.5
93.07047	3.3
95.08612	4.6
96.08136	0.8
97.02887	1.4
97.06520	0.6
99.03857	0.5
101.00903	0.8
103.05521	0.5
105.07048	2.0
107.08575	2.4
109.10152	4.1
110.07121	0.7
110.09663	1.0
111.08065	1.1
117.03384	0.9
119.01927	1.1
119.08594	0.7
120.08104	2.4
121.06493	1.0
121.08429	0.5
121.10161	1.9
123.11723	2.5
129.10245	0.8
130.06413	0.5
131.08595	0.8
133.10124	1.1
133.11731	0.4
135.11621	0.9
136.07599	0.7
137.06004	1.9
137.13269	1.1
138.09138	1.1
139.09595	0.4
145.02855	2.5
145.10069	0.5
148.07570	0.6
149.06017	0.8
149.13269	1.4
151.14859	0.9
153.12830	0.6
159.11736	0.7
161.03006	0.9
161.13245	0.5
163.07286	0.5
163.14810	0.5
166.08594	2.5
167.07069	1.4
167.09079	0.7
173.13235	0.5
177.05478	5.4
181.04951	0.5
185.04315	0.7
201.03755	0.7
203.05354	1.4
210.15021	0.6
219.01746	0.8
227.05347	1.4
243.04767	3.4
245.06323	3.2
259.16818	3.6
261.18274	4.3
265.09708	0.8
271.04260	0.6
277.17776	6.5
278.99585	0.5
279.26825	0.6
283.05939	0.6
287.01318	0.4
287.03738	24.5
289.05319	32.2
291.26855	3.6
293.12527	0.5
309.27802	2.3
319.17374	1.2
327.29126	0.7
333.63040	0.5
359.12222	0.6
360.12692	1.1
372.12979	0.9
439.23013	1.0
455.65720	0.5
463.23022	2.1
465.18781	1.2
481.24115	13.8
489.21057	1.1
493.17932	2.5
507.22061	11.0
525.23108	100.0
526.23187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53885	1.7
53.03941	2.7
55.01858	3.0
55.05510	11.5
57.03439	1.9
57.07066	4.6
67.05515	22.0
69.03427	5.4
69.07078	26.2
69.38515	13.3
70.06593	11.5
71.04990	5.1
71.08635	2.5
72.08139	3.2
72.86072	1.7
79.05499	17.3
81.07065	100.0
83.08629	14.7
84.08146	7.9
85.02908	9.6
85.06551	23.8
86.09696	6.5
87.32304	2.0
89.03947	2.5
91.05481	9.7
93.07051	39.2
95.04958	2.7
95.08614	72.2
97.02875	4.1
97.06527	13.9
97.10164	8.4
99.08088	8.0
105.07034	19.2
107.08599	44.1
109.02882	2.5
109.10168	52.6
110.07176	3.2
110.09701	2.3
111.08099	31.7
111.11707	7.7
113.09629	3.4
117.03402	3.4
119.08595	13.2
120.08119	4.1
121.06556	2.1
121.08412	2.0
121.09323	3.3
121.10154	38.5
123.08000	2.0
123.11720	50.3
125.09647	11.8
127.11217	2.2
129.10249	3.3
133.10130	9.7
135.11685	23.0
137.05968	3.8
137.13283	14.7
139.11197	16.7
145.02866	7.0
145.10075	2.6
147.11694	11.9
149.13272	31.0
151.07466	2.0
151.14798	4.9
153.12717	5.5
159.11684	2.8
161.13249	27.2
163.03883	3.4
163.14827	13.9
165.16345	2.3
165.29236	2.0
166.08669	4.9
167.07135	5.2
167.14343	3.7
175.14821	4.5
177.05505	13.8
177.16379	5.0
179.14432	2.5
181.04942	3.7
189.16420	3.6
191.17924	10.2
203.18045	2.4
205.19518	7.1
217.19516	83.1
223.20595	3.9
235.20596	71.1
237.02907	1.8
243.04683	2.1
245.06099	2.0
253.21666	46.6
267.07077	1.9
271.22717	10.3
273.25760	9.4
277.17661	3.5
279.26846	5.7
287.03870	10.2
289.05380	14.9
291.26846	19.4
309.27899	17.0
327.28928	7.7
331.23306	1.9
345.29977	6.3
363.10834	5.8
397.25943	2.5
415.26920	3.9
465.18768	2.9
481.24112	6.0
493.17139	2.0
507.22888	3.3
525.23138	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12365	0.6
55.01867	2.5
55.05516	3.1
56.32297	0.6
57.03431	1.7
57.07070	0.9
62.06075	0.9
67.05503	4.1
69.07054	2.9
70.06600	0.6
71.52078	1.0
79.05492	3.0
81.07057	20.1
83.04981	2.6
83.08620	1.8
89.03892	0.5
91.05481	1.4
93.07027	3.2
95.08601	5.5
97.06537	1.2
104.65780	0.5
105.07031	2.6
107.08614	3.2
109.06528	9.0
109.10159	3.2
111.04442	15.5
111.08105	0.9
119.08569	4.4
121.10117	4.3
123.08068	1.8
123.11683	1.3
125.06014	4.9
129.06973	0.6
129.10298	0.7
131.08548	2.0
133.10130	4.8
134.36459	0.7
135.08040	3.5
135.11703	4.5
137.05980	100.0
137.13248	2.0
143.08598	1.1
145.10176	1.3
147.08052	0.9
147.11714	5.5
149.09628	4.0
149.13245	1.2
151.07556	3.1
151.11198	0.8
157.10156	1.4
161.09622	6.5
161.13248	2.5
163.11215	3.0
163.14810	1.4
165.09114	2.2
165.12706	0.7
167.10701	1.1
171.11769	1.2
175.11198	6.2
175.14766	0.9
179.10683	2.5
185.13303	0.8
189.12758	1.7
193.12364	0.7
203.17961	7.3
205.19519	0.8
208.38200	0.7
213.16420	2.8
216.06348	0.8
221.18990	2.5
223.14908	1.2
223.49072	0.6
231.17458	10.0
241.15895	1.4
249.18553	6.7
277.17993	47.1
295.19016	8.1
320.22083	3.8
351.21655	52.6
383.24268	53.8
431.18277	2.1
474.22589	1.7
492.23798	3.5
524.26166	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.231
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
57.03427	0.3
57.66452	0.3
69.03408	0.3
71.02769	0.6
91.05465	0.5
93.07047	0.6
105.07034	0.3
121.10116	0.4
137.06032	0.5
141.01889	0.3
161.13489	0.3
163.00000	0.4
177.05518	0.7
199.02173	0.7
212.82999	0.3
331.18762	1.6
349.19836	5.9
372.10223	1.2
373.20227	0.4
391.21002	1.2
461.21640	0.5
479.22751	0.3
489.20862	0.3
507.22003	12.6
525.23096	100.0
526.23401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
67.05506	1.3
69.03423	0.7
69.07069	1.6
70.06600	3.6
71.14243	0.6
71.43597	0.6
72.08160	1.8
78.04733	0.7
79.05486	1.0
81.07067	4.1
83.08620	0.8
84.04530	0.6
84.08134	1.8
85.02911	1.3
86.09700	1.8
91.05498	2.2
93.07051	2.2
93.09888	0.5
95.08617	2.7
98.20763	2.0
100.11253	1.1
105.07050	1.2
107.08591	2.2
109.10190	2.3
110.07195	0.9
112.07611	0.6
112.79408	0.6
119.01880	0.7
120.08132	2.6
121.10146	0.9
123.11745	1.5
127.00067	0.6
129.10254	1.0
133.10117	0.7
134.33084	0.6
135.11728	0.9
137.06023	1.1
143.01912	0.8
145.02837	1.6
149.13274	0.7
151.03976	0.6
161.03023	0.8
167.07108	1.5
167.09009	0.9
168.07465	0.8
177.05536	2.7
181.04935	0.8
182.15408	0.7
183.14954	0.5
187.00891	1.2
201.03647	0.8
203.05405	1.9
205.19672	0.7
209.16518	0.9
210.14935	0.9
235.07550	0.6
237.02876	0.9
243.04781	2.9
245.06430	3.1
259.16873	3.9
260.97421	0.6
261.18298	3.6
277.17834	5.5
279.26859	0.8
287.03732	21.7
289.05334	29.3
291.26849	1.7
309.28046	1.4
319.17633	0.7
345.15674	0.7
439.23071	1.4
463.22897	1.1
477.44012	0.6
481.24179	10.2
489.20975	2.6
507.21924	6.8
516.87634	1.0
525.23145	100.0
526.23041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.6
53.02789	1.3
55.01881	2.9
56.01094	1.2
67.05557	1.3
68.99797	3.5
70.06598	1.6
71.18385	1.6
72.08173	1.3
81.07068	2.0
84.08202	1.5
84.44602	1.3
85.02918	17.6
86.09726	1.4
89.03979	1.5
91.05492	3.8
93.07065	2.4
95.08610	1.8
103.05425	1.7
104.06277	1.9
105.07087	1.8
107.04948	2.2
113.02379	27.3
113.11842	1.5
118.04187	7.4
119.04945	2.2
121.06531	4.6
121.10165	1.4
131.04951	8.7
132.05731	5.7
142.04199	3.3
145.02864	4.7
149.06032	1.7
160.05203	2.5
161.06042	1.6
163.03928	1.7
167.07098	3.7
169.01343	66.6
170.03654	5.8
172.00063	2.7
177.05536	7.4
182.03764	1.6
182.99342	2.3
191.07083	1.9
192.07860	6.4
193.08698	2.4
197.00839	42.5
198.01628	2.7
201.00378	3.5
202.01089	2.6
203.99750	1.2
215.01883	30.8
215.03787	2.1
215.58389	1.1
216.02660	3.3
217.55098	1.2
226.02678	1.9
251.03307	1.3
254.02156	15.5
269.04480	29.2
287.05615	8.0
297.03961	25.4
301.07043	1.9
315.05011	100.0
316.05420	1.9
317.06577	2.6
371.07706	1.8
475.10315	13.5
495.13199	7.6
507.13000	30.9
525.13989	47.3
525.30188	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	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05489	0.5
56.05037	1.4
57.03433	0.3
57.07079	3.0
58.06582	1.3
59.07388	0.3
60.08167	17.3
63.35534	0.2
66.58559	0.2
67.05499	0.5
69.07057	0.5
69.30405	1.4
69.30824	0.8
71.07375	5.9
71.08302	0.2
71.08626	1.9
74.93764	0.3
81.07057	1.0
83.08645	0.4
85.10181	0.8
86.09709	51.4
95.08614	1.1
98.20789	0.4
98.98470	2.9
104.10748	100.0
105.11041	0.3
125.00009	28.1
163.01599	1.1
181.02628	0.5
184.07347	96.7
258.11115	0.9
287.54794	0.3
341.30472	1.3
447.28601	0.3
470.24875	0.2
506.36111	9.6
524.37146	44.1
525.37567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	PAF C-16
Peak:m/z	Relative Intensity
50.31861	0.6
50.74791	0.6
53.71380	0.6
57.07082	0.8
60.08165	4.9
69.07055	0.6
69.07909	0.5
71.07368	2.9
71.52972	0.7
86.09712	25.7
98.98474	2.3
104.10748	3.1
108.37762	0.6
125.00011	17.8
136.93167	1.4
154.06026	0.6
154.94173	2.2
172.95273	2.2
184.07352	100.0
210.97639	1.5
228.97899	1.4
265.21887	0.7
326.80893	0.5
412.25287	0.8
436.56976	0.6
457.33112	0.6
506.36011	1.4
524.24713	2.8
524.37482	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04495	2.1
52.81871	2.2
53.03944	3.1
54.01640	2.3
55.01866	3.1
55.05508	5.5
56.05032	3.9
59.04991	3.7
61.02921	3.0
63.96626	1.9
67.05515	12.6
68.31486	2.3
69.03415	10.3
69.07070	19.7
70.02960	2.3
70.06596	61.0
71.04983	5.4
71.06911	2.3
72.08156	13.4
79.05486	12.3
81.03423	3.5
81.07051	18.7
83.04976	4.1
83.08614	3.0
84.04491	6.2
84.08162	13.2
85.02907	15.2
85.06564	5.4
86.09695	22.4
86.12778	2.1
87.08122	3.7
88.03938	2.4
89.03883	2.1
91.05482	16.6
93.07046	21.4
95.04980	7.9
95.08620	18.3
96.08869	2.7
97.02906	10.4
97.06531	17.0
98.21631	4.7
99.08083	2.8
105.07039	15.9
107.04966	4.4
107.08600	17.6
109.06518	29.3
109.10172	10.5
110.07169	6.4
111.08083	5.2
113.06011	9.1
116.01661	5.3
117.03392	4.5
117.07017	4.3
119.04929	4.3
119.08610	11.7
120.08116	17.0
121.06501	9.6
121.10162	13.9
122.03751	2.8
123.04437	2.8
123.08065	30.8
123.11682	11.0
125.09618	6.0
127.03934	4.9
127.08685	6.7
129.06918	3.3
129.10217	8.8
131.04930	4.1
131.08563	9.1
133.02798	2.7
133.10141	9.8
135.04401	3.5
135.08054	4.0
135.11688	7.4
136.07567	8.7
137.05992	23.7
141.09096	18.1
141.10120	3.5
143.08585	7.3
145.02863	9.7
145.04939	2.4
145.06564	2.7
145.10147	19.4
147.04416	2.5
147.08044	5.2
147.11714	5.3
149.06009	4.2
149.09612	23.6
149.13332	4.2
151.07539	6.6
151.11156	5.2
155.08423	4.4
157.10109	3.4
158.09464	2.9
159.08017	4.4
159.11705	9.3
161.05977	8.2
161.09598	4.5
161.13271	4.4
162.02206	9.8
163.02591	5.3
163.03922	6.4
163.11142	9.2
163.14856	3.0
164.07076	2.9
165.12762	6.9
167.07089	6.3
167.10693	3.6
169.01260	3.9
171.08017	3.6
171.11620	3.8
173.09637	16.6
173.13210	6.6
175.07516	2.5
175.11244	3.2
177.05496	14.3
178.05896	3.8
179.07060	6.0
179.14301	2.2
181.04936	2.4
181.10159	2.6
183.02869	5.2
183.11630	3.5
184.08838	2.8
185.09630	2.9
187.11201	6.3
189.09076	2.9
189.12743	6.3
191.10611	8.2
195.11777	3.0
195.13763	5.4
201.05457	3.3
201.12616	2.8
203.07022	4.4
203.43231	2.1
207.13834	9.2
209.08046	4.0
209.13287	2.7
213.12703	4.1
215.14252	2.3
219.13861	4.1
221.12906	4.9
223.07555	3.7
225.12822	3.3
229.12042	2.9
229.15477	20.0
231.13821	6.2
237.12830	2.6
237.16251	2.7
249.14938	5.5
253.15768	2.3
265.15793	6.9
267.10004	3.0
273.14908	2.1
280.10638	2.3
283.16995	5.0
285.11124	3.8
286.17593	4.3
289.25247	7.4
293.18741	2.4
301.17990	6.5
303.04861	4.0
307.26373	7.8
311.20071	6.3
313.03503	5.5
315.04944	5.2
319.18915	2.6
328.05835	5.2
329.20871	3.4
331.04431	5.8
331.22989	3.7
337.21506	2.8
339.19913	3.2
346.06760	7.6
347.22281	3.0
357.20624	6.0
361.09171	100.0
371.21854	5.1
373.23547	2.4
377.18024	2.8
394.20728	5.8
407.25836	5.2
425.26968	13.0
427.28333	2.3
429.26056	2.6
443.27982	31.2
451.28375	7.7
469.29510	59.9
487.30551	62.0
505.17267	2.4
523.13397	2.5
523.32245	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	523.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81509	0.6
53.03952	0.6
53.98212	0.6
55.05517	1.1
57.07064	2.4
66.69035	0.5
67.05479	1.1
69.07060	1.3
71.08620	1.9
71.12770	1.3
81.07054	2.3
83.08623	1.2
85.10151	0.8
93.07059	1.4
95.08614	1.8
97.10170	1.0
98.21288	0.6
107.08633	1.0
135.11714	1.0
152.20299	0.6
211.09416	5.5
238.65993	0.7
267.12039	1.9
313.27429	1.7
389.16003	0.6
523.36108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.216
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14330	0.6
67.05500	1.2
69.18720	2.3
69.19136	4.8
70.06581	1.0
79.05489	0.9
81.07069	3.3
82.26901	0.7
86.24702	0.6
91.05469	1.3
93.07042	1.9
95.08598	2.1
98.21472	1.6
99.04467	0.7
101.00858	3.7
105.07041	1.6
107.08631	1.4
109.10174	0.8
119.01932	6.1
119.08559	1.3
121.06481	1.0
121.10168	1.0
123.08113	0.7
123.11732	1.0
137.05972	1.3
137.50439	0.7
143.01884	3.3
145.02798	1.5
157.03502	1.5
161.02959	3.2
161.13315	1.1
164.78792	0.8
168.99811	0.8
173.05975	0.9
175.04579	0.8
177.05537	2.0
187.00876	2.1
195.08403	0.8
203.05315	1.5
227.05336	1.1
229.01756	0.9
229.56540	0.7
243.04781	8.4
245.06355	11.6
251.07112	1.0
271.04211	1.6
275.16269	6.3
287.03735	53.8
289.05304	86.4
293.15991	2.0
294.08951	0.9
295.09274	1.8
317.15967	2.8
335.17108	3.2
337.10818	1.4
338.11105	1.7
350.46222	0.7
359.16846	0.9
361.14978	1.6
377.18170	2.5
387.16443	0.7
403.16068	1.7
437.20828	1.5
479.22495	6.6
523.21527	100.0
524.22131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
61.02911	0.8
63.54714	0.3
69.03416	1.4
70.06593	4.6
72.08162	2.9
78.04785	0.3
81.03438	0.7
84.04501	0.8
84.08147	2.1
85.02906	3.2
86.09711	3.3
89.03934	2.3
91.05473	3.3
93.07039	0.7
95.04959	0.8
97.02892	1.0
103.05465	0.8
105.07028	0.9
107.04964	0.6
109.06522	0.4
109.66080	0.4
110.07149	0.7
112.75419	0.4
117.03386	13.0
119.04941	3.1
120.08109	3.6
121.06497	1.0
121.08475	0.6
122.06808	0.3
123.36633	0.4
127.03931	1.0
129.10248	1.0
131.04956	0.5
131.08499	0.4
133.02802	0.4
134.03664	0.4
135.04405	0.8
136.07549	1.2
137.05959	2.9
138.06335	0.5
145.02852	44.7
149.05998	4.3
151.07529	4.8
161.05984	0.9
163.03902	1.4
167.06898	0.8
175.03891	0.4
175.07463	0.6
177.05476	100.0
178.05835	0.7
186.05496	0.8
207.06499	0.9
215.56628	0.4
229.09755	0.6
240.90204	0.4
243.17653	0.4
275.10278	1.4
344.14938	38.1
345.15503	0.4
402.19278	0.4
491.16336	0.6
505.18750	0.6
523.22864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1448
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03933	1.2
55.05508	2.7
55.49014	1.1
56.32585	1.0
57.03435	1.5
67.05487	3.2
69.03423	3.6
69.07056	4.4
70.06593	5.7
71.04990	6.6
71.51980	1.4
72.08161	2.0
79.05482	2.5
81.03422	2.0
81.07066	9.1
83.04969	1.1
83.08588	1.5
83.72144	1.0
84.04518	1.3
84.08132	2.7
85.02917	3.1
86.09712	2.5
89.03911	4.6
89.47143	1.1
91.05467	4.9
93.07040	5.2
95.04967	2.5
95.08616	9.1
97.02843	2.6
103.05501	1.2
105.07040	2.9
107.07327	1.1
107.08580	5.1
109.10162	4.0
110.07116	1.4
111.08125	1.1
117.03375	10.0
118.03695	2.4
119.04932	2.5
119.08578	1.8
120.08093	2.5
121.06543	3.2
121.10126	6.1
123.11701	4.4
124.12064	1.2
129.10173	1.2
131.04898	1.9
133.04965	2.0
134.03419	1.3
135.11696	2.3
137.05972	8.6
137.13216	2.3
138.06305	3.2
145.02849	22.7
146.03194	8.4
147.11693	1.3
149.02309	1.3
149.05969	5.7
149.13281	2.5
151.07542	2.6
151.11143	1.3
153.01794	1.3
154.99745	2.1
159.11635	1.9
161.05965	2.9
163.03909	2.2
163.14771	1.4
165.05397	2.0
165.09125	2.6
165.12689	1.5
167.06999	2.1
168.00555	1.5
169.01265	2.0
173.05957	1.5
174.06381	1.4
177.05482	39.5
178.05826	14.4
181.04904	1.7
182.99234	7.2
183.02890	1.3
185.00858	2.6
193.15858	4.7
194.16245	5.6
197.00749	1.9
198.01666	8.5
201.00313	6.9
201.05492	7.0
202.05826	2.1
202.26131	1.3
204.00864	1.2
211.16893	3.4
212.17209	2.7
213.03983	1.5
216.02654	7.4
271.02167	1.4
282.05264	2.7
285.03772	1.6
289.25235	2.1
294.08600	1.3
301.07019	1.5
307.26178	3.4
310.04831	1.5
313.03479	2.6
327.05069	1.4
328.05862	7.5
329.06277	1.4
331.04413	8.3
331.07828	1.3
346.06744	6.7
347.16602	2.2
355.11783	1.3
356.11987	1.6
361.09180	100.0
443.01852	1.8
505.12042	2.1
523.21356	5.5
523.29028	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	523.1452
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03946	0.3
55.01859	0.2
55.05510	0.4
57.03437	0.2
67.05511	0.3
68.99795	1.9
69.03416	0.7
69.07061	0.5
70.06591	2.3
71.51868	0.3
72.08160	1.4
79.05490	0.4
81.03408	0.4
81.07069	0.5
84.04498	0.8
84.08153	1.7
85.02896	0.8
86.09710	3.2
88.03986	0.7
89.03912	0.9
89.53571	0.2
91.05480	1.1
93.07015	0.3
95.04964	0.3
95.08616	0.4
97.02889	0.9
99.00816	0.4
102.05511	0.4
103.05486	0.3
105.07059	0.5
107.04962	0.9
109.02858	0.2
109.06535	0.3
109.10143	0.3
110.07166	0.4
115.03954	0.2
117.03425	1.2
117.07082	0.3
119.04948	0.8
120.08098	1.8
121.06463	0.4
123.08068	0.3
127.03911	0.3
129.10234	0.6
131.04947	0.6
133.02861	0.4
133.06508	0.5
133.10138	0.3
135.04378	0.5
136.07568	0.5
137.05984	2.1
138.06398	0.5
139.00244	0.5
144.05717	0.3
145.02840	3.0
145.10132	0.3
146.03189	0.9
147.04480	1.1
147.11739	0.3
148.05228	0.4
149.02403	0.7
149.05989	0.7
150.03136	0.8
151.03912	0.4
151.07539	0.9
153.01830	1.0
156.10219	0.3
161.05994	2.6
162.03104	0.4
163.03915	1.8
164.04712	2.7
164.06985	0.3
164.88069	0.2
165.01813	0.4
165.05524	1.3
166.08679	0.5
166.99731	1.4
167.06996	0.5
168.00554	3.1
169.01352	0.6
172.05116	0.3
173.05997	0.3
175.07570	0.3
177.05495	5.7
178.06219	6.1
179.06952	0.3
181.01384	0.5
182.02094	0.8
183.02914	2.5
183.04405	0.4
183.16815	0.2
185.00816	3.6
185.05917	0.3
186.01666	1.6
186.03038	0.4
187.07512	0.2
198.01662	0.9
201.05493	1.5
201.12354	1.3
202.05856	1.5
205.04803	0.3
212.04570	0.3
213.05424	0.6
215.03477	0.4
216.04037	0.3
226.06311	0.5
229.05130	0.4
229.11760	0.5
240.04253	0.8
242.05746	0.3
243.02771	0.3
245.07881	0.4
254.05734	1.0
255.06552	0.4
257.04440	1.1
258.05148	1.4
258.81305	0.2
267.85449	0.2
268.03732	0.6
269.04416	0.4
271.02478	0.9
271.05969	0.2
272.06793	0.3
273.07587	0.5
275.05475	0.4
277.11819	0.8
282.05243	4.4
284.33136	0.3
285.03931	1.9
286.04691	1.7
298.04639	0.6
299.01822	1.1
299.05557	0.7
300.06299	0.7
301.07059	3.1
303.05151	1.4
310.04626	3.0
311.05362	0.3
313.03421	1.9
313.10809	0.3
314.04245	2.4
315.05023	0.6
316.02240	0.4
327.04962	1.6
328.05792	8.5
329.06598	1.3
331.04462	6.0
345.06421	0.3
346.06860	7.1
355.11603	0.4
356.12149	1.2
358.15851	0.3
361.09189	100.0
362.09555	0.6
505.13022	0.3
523.22003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1448
Annotation	Quercetagetin 6,3',4'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03925	0.2
55.01867	0.2
55.05495	0.2
61.35426	0.2
62.15479	0.2
65.09473	0.2
67.05518	0.2
68.99802	1.6
69.03416	0.4
69.07053	0.3
70.06584	1.1
72.08150	0.6
81.03426	1.2
81.07014	0.2
83.04966	0.2
84.04502	0.3
84.08119	0.6
85.02897	0.6
85.41968	0.2
86.09679	0.6
87.35376	0.2
89.03905	0.2
91.05480	0.4
93.07037	0.4
95.04965	0.3
95.08601	0.5
97.02876	0.3
98.20732	0.4
103.05463	0.3
104.05813	0.2
105.07055	0.6
107.04958	0.9
107.08589	0.2
109.06564	0.2
109.10159	0.2
109.68867	0.2
112.01582	0.2
115.05472	0.3
116.07062	0.3
117.03373	0.6
117.07017	0.2
118.07373	0.2
119.04932	0.4
119.08529	0.2
120.08092	0.4
121.06507	0.9
122.06867	0.3
123.51181	0.2
125.65879	0.2
129.10265	0.3
131.04941	0.6
133.02856	0.6
133.06505	0.4
135.04385	0.3
135.11671	0.3
137.06009	1.3
138.06335	0.3
139.00325	0.8
144.05757	0.3
145.02853	0.8
145.10155	0.2
146.03256	0.3
146.06847	0.2
147.04401	0.5
148.05124	0.2
149.02361	0.9
149.06000	0.2
150.03142	0.6
151.03983	0.2
151.07504	0.6
153.01808	1.0
155.03564	0.2
160.05203	0.3
161.05975	2.6
162.03101	0.3
163.03922	1.8
163.07518	0.3
164.04681	2.6
165.01851	0.3
165.05479	1.5
165.09126	0.6
166.99773	1.7
167.07042	2.4
168.00566	3.5
168.07378	1.1
169.01366	0.7
172.05089	0.5
173.06018	0.3
175.03992	0.2
175.07579	0.9
176.07874	0.6
177.05492	2.6
178.06256	6.0
179.07095	0.2
181.01344	0.6
182.02148	0.6
183.02892	2.8
185.00839	3.2
186.01604	2.0
187.07535	0.7
188.07961	0.4
191.06903	0.2
198.01639	1.3
198.06470	0.2
201.05516	0.6
202.05905	0.4
205.04962	0.2
213.05539	0.2
215.03488	0.2
223.14938	0.2
225.08038	0.2
226.06262	0.4
229.05031	0.5
229.33536	0.2
230.05785	0.3
232.03664	0.2
235.09622	0.4
236.10112	0.5
240.04198	1.0
243.02876	0.4
249.07982	0.2
254.05815	0.6
255.02824	0.3
255.06488	0.2
257.04492	0.8
258.05225	1.2
259.06036	0.3
267.09329	0.2
268.03622	0.6
269.04474	0.6
270.05359	0.3
271.02374	0.5
273.07608	0.4
275.05481	0.3
282.05252	4.3
283.06137	0.3
285.03931	1.8
286.04739	1.8
290.10938	0.2
295.09436	0.2
297.03888	0.3
298.04764	0.4
299.01843	1.0
299.05527	0.8
300.06375	0.6
301.07059	4.0
303.04959	1.2
310.04660	2.6
313.03384	2.0
314.04218	2.5
315.05035	0.5
316.02209	0.5
327.05042	1.4
328.05780	7.8
329.06625	1.3
331.04459	5.8
333.09875	0.3
341.13699	0.4
342.14078	0.4
345.06042	0.5
346.06805	7.5
361.09183	100.0
362.09464	1.0
369.15839	0.2
404.94870	0.2
441.78564	0.2
523.11591	1.0
523.21545	1.0
523.28455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
55.01859	0.2
55.05510	0.4
57.03437	0.2
67.05511	0.3
68.99795	1.9
69.03416	0.7
69.07061	0.5
70.06591	2.3
71.51868	0.3
72.08160	1.4
79.05490	0.4
81.03408	0.4
81.07069	0.5
84.04498	0.8
84.08153	1.7
85.02896	0.8
86.09710	3.2
88.03986	0.7
89.03912	0.9
89.53571	0.2
91.05480	1.1
93.07015	0.3
95.04964	0.3
95.08616	0.4
97.02889	0.9
99.00816	0.4
102.05511	0.4
103.05486	0.3
105.07059	0.5
107.04962	0.9
109.02858	0.2
109.06535	0.3
109.10143	0.3
110.07166	0.4
115.03954	0.2
117.03425	1.2
117.07082	0.3
119.04948	0.8
120.08098	1.8
121.06463	0.4
123.08068	0.3
127.03911	0.3
129.10234	0.6
131.04947	0.6
133.02861	0.4
133.06508	0.5
133.10138	0.3
135.04378	0.5
136.07568	0.5
137.05984	2.1
138.06398	0.5
139.00244	0.5
144.05717	0.3
145.02840	3.0
145.10132	0.3
146.03189	0.9
147.04480	1.1
147.11739	0.3
148.05228	0.4
149.02403	0.7
149.05989	0.7
150.03136	0.8
151.03912	0.4
151.07539	0.9
153.01830	1.0
156.10219	0.3
161.05994	2.6
162.03104	0.4
163.03915	1.8
164.04712	2.7
164.06985	0.3
164.88069	0.2
165.01813	0.4
165.05524	1.3
166.08679	0.5
166.99731	1.4
167.06996	0.5
168.00554	3.1
169.01352	0.6
172.05116	0.3
173.05997	0.3
175.07570	0.3
177.05495	5.7
178.06219	6.1
179.06952	0.3
181.01384	0.5
182.02094	0.8
183.02914	2.5
183.04405	0.4
183.16815	0.2
185.00816	3.6
185.05917	0.3
186.01666	1.6
186.03038	0.4
187.07512	0.2
198.01662	0.9
201.05493	1.5
201.12354	1.3
202.05856	1.5
205.04803	0.3
212.04570	0.3
213.05424	0.6
215.03477	0.4
216.04037	0.3
226.06311	0.5
229.05130	0.4
229.11760	0.5
240.04253	0.8
242.05746	0.3
243.02771	0.3
245.07881	0.4
254.05734	1.0
255.06552	0.4
257.04440	1.1
258.05148	1.4
258.81305	0.2
267.85449	0.2
268.03732	0.6
269.04416	0.4
271.02478	0.9
271.05969	0.2
272.06793	0.3
273.07587	0.5
275.05475	0.4
277.11819	0.8
282.05243	4.4
284.33136	0.3
285.03931	1.9
286.04691	1.7
298.04639	0.6
299.01822	1.1
299.05557	0.7
300.06299	0.7
301.07059	3.1
303.05151	1.4
310.04626	3.0
311.05362	0.3
313.03421	1.9
313.10809	0.3
314.04245	2.4
315.05023	0.6
316.02240	0.4
327.04962	1.6
328.05792	8.5
329.06598	1.3
331.04462	6.0
345.06421	0.3
346.06860	7.1
355.11603	0.4
356.12149	1.2
358.15851	0.3
361.09189	100.0
362.09555	0.6
505.13022	0.3
523.22003	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3556
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05515	1.6
56.05038	1.3
57.03436	0.7
57.07062	0.5
58.06584	1.4
59.07361	0.4
60.08167	16.8
67.05501	1.3
68.54668	0.2
69.07086	1.9
69.81820	1.7
70.06585	0.2
71.07372	6.8
79.05489	0.5
81.07053	1.3
83.08620	1.2
84.18218	0.3
86.09708	50.9
88.78806	0.3
93.07031	0.8
95.08595	1.0
95.75388	0.3
97.10165	0.7
98.20826	0.3
98.98473	3.6
104.10746	100.0
109.10220	0.3
109.75356	0.3
121.10205	0.7
125.00009	26.6
135.11743	0.3
163.01596	0.5
184.07344	97.8
212.02521	0.3
257.60648	0.4
258.11005	1.1
272.53812	0.4
339.28888	1.1
402.28894	0.3
445.27225	0.4
504.34561	8.8
522.35571	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.21484	0.2
54.70041	0.2
55.01856	0.3
55.05504	1.2
56.05031	1.6
57.03431	0.5
57.07079	0.4
58.06577	1.6
59.07385	0.4
59.10549	0.3
60.08166	17.4
67.05491	1.1
67.96644	0.2
69.07076	1.7
71.07376	7.7
71.08642	0.4
71.22049	0.5
79.05493	1.3
81.07059	1.3
83.04959	0.5
83.08620	1.4
86.09708	53.8
88.07680	0.3
91.05482	0.3
93.07053	1.4
95.08601	1.1
95.94815	0.3
97.06525	1.0
97.10139	0.7
98.98466	4.0
104.10748	100.0
107.08605	0.8
109.10165	0.5
121.10131	1.1
123.11708	0.3
123.54318	0.2
125.00009	30.7
129.05490	0.5
135.11697	0.6
136.93132	0.8
138.34637	0.3
140.36655	0.3
154.94182	1.2
163.01512	0.5
170.08434	0.3
172.95277	0.8
177.95871	0.3
181.02650	0.7
184.07347	93.4
185.09622	0.3
210.97516	0.3
215.67564	0.3
228.97940	0.6
258.11105	1.0
339.28854	0.7
417.94699	0.3
426.55627	0.3
476.36633	0.4
504.34552	7.9
522.22675	0.9
522.35577	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	522.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01890	0.9
55.05512	11.3
56.05046	0.6
57.03442	6.2
57.07090	2.3
60.04529	0.6
60.08166	6.5
61.08511	1.9
65.03944	0.7
67.05508	23.4
69.07074	14.2
70.02956	0.6
71.05000	1.1
71.07393	2.7
71.08656	1.4
71.38438	1.2
72.07745	0.5
79.05495	6.7
81.07059	24.8
83.04999	1.0
83.08618	7.2
86.09708	22.1
87.09515	1.0
87.10029	6.2
88.03996	6.2
91.05502	4.5
93.07035	7.5
95.05013	0.7
95.08611	20.2
97.06535	0.8
97.10159	3.7
98.98467	7.1
99.08139	0.6
104.10746	38.8
105.07014	3.4
105.10414	1.4
105.11069	12.5
106.05059	1.9
106.11266	1.7
107.08587	3.9
109.10161	7.0
111.08105	1.5
111.11724	0.8
119.08583	3.7
121.10181	2.4
123.08097	0.6
123.11730	2.1
124.93756	0.8
125.00015	11.7
126.00375	2.3
127.00465	2.3
128.97495	0.7
133.10159	2.0
135.11717	1.6
147.11723	1.2
149.13274	0.7
155.01085	1.1
161.13286	0.8
173.02132	1.1
175.14897	0.7
184.07347	32.7
185.07712	14.2
186.07813	9.6
193.04871	0.6
198.97409	3.2
212.58690	0.7
260.05295	0.6
263.23773	2.1
272.74646	0.6
337.27374	100.0
338.27869	1.1
350.26926	2.2
473.34644	0.6
504.26315	0.8
504.33392	4.0
522.25732	2.9
522.34491	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70594	0.2
55.05529	0.3
56.05039	0.5
58.06363	0.3
58.06628	0.5
60.08168	6.7
61.92442	0.2
69.07071	0.4
69.81116	0.9
71.07375	2.7
73.62594	0.2
79.05521	0.2
81.07069	0.3
83.08601	0.3
83.18251	0.2
86.09712	32.4
90.84915	0.2
95.08652	0.3
98.98472	3.3
98.99121	0.2
99.39822	0.1
104.10754	3.2
125.00016	21.7
130.41347	0.2
157.01433	0.2
184.07353	100.0
185.07803	0.2
229.54634	0.2
241.07532	0.2
318.22516	0.2
392.75833	0.2
467.07321	0.2
504.34665	1.0
522.35577	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.8
51.02401	1.0
52.25577	0.8
53.03939	3.0
67.05489	1.2
70.49882	0.8
71.41362	1.8
72.87042	1.0
75.02380	0.8
76.35149	1.0
77.03925	1.2
78.04690	3.1
79.05489	3.9
81.03419	2.7
86.09699	1.5
89.03956	1.1
91.05483	16.0
93.07050	15.7
95.04991	5.1
95.08601	1.4
95.35713	0.9
97.02882	1.1
103.05465	16.1
105.04504	1.5
105.07027	1.7
107.04948	6.4
115.05460	4.0
117.03391	3.9
117.07030	1.5
119.04962	5.1
120.05727	2.8
121.06504	60.4
122.03644	1.0
124.05214	2.7
125.06028	1.3
128.06230	1.2
128.80278	1.0
129.07036	1.0
130.04211	1.1
131.04933	5.0
132.05710	1.4
133.06535	1.2
135.92841	1.0
136.05142	1.2
137.05980	14.8
140.04701	1.4
143.04950	5.7
145.02850	10.4
145.06477	4.2
147.04436	2.2
149.05988	2.8
151.03920	1.7
151.07587	3.4
152.04706	1.3
153.05476	5.3
155.06969	2.9
158.03659	3.5
159.04445	2.1
160.05185	1.6
161.05984	2.7
163.07574	1.3
165.05479	1.5
165.06967	1.4
167.07040	49.8
170.03761	0.9
172.05264	1.1
173.05994	9.9
175.03841	1.5
175.07576	4.5
177.05479	19.0
177.06912	1.2
179.07068	1.7
179.08577	1.6
180.07863	1.4
184.92342	1.0
186.03185	5.8
187.07562	2.9
189.05458	1.5
189.07013	2.6
190.07826	1.8
191.07057	4.4
191.08620	2.4
192.06136	1.1
192.07875	2.6
201.05470	68.0
203.07033	3.0
205.06546	2.5
206.07280	2.9
207.08104	3.1
209.06081	1.4
213.05453	21.2
214.06075	1.1
215.03452	1.6
215.07126	1.2
216.04216	1.6
217.06538	2.8
218.07343	4.0
219.08072	4.7
220.05263	4.4
221.05945	3.4
222.06723	1.9
231.06412	9.2
232.05302	1.6
233.06026	3.9
234.06755	7.1
235.07530	11.6
235.09660	1.0
236.08318	3.1
237.05502	2.3
237.09122	2.3
245.05975	2.6
246.06859	4.3
246.09222	0.9
247.07555	7.4
248.04568	1.5
249.05460	6.5
249.09167	3.8
250.06290	2.9
251.07153	4.5
252.07837	2.1
257.05789	1.0
260.04742	2.9
261.05463	3.1
262.06171	6.8
263.07071	14.4
264.07773	7.3
265.05145	1.5
265.08643	4.6
267.10123	4.6
269.08179	1.1
273.05530	1.9
274.06284	4.1
275.07034	7.3
276.07870	2.6
277.04944	4.4
277.08618	8.4
278.05869	1.1
278.09180	1.0
279.06506	3.0
279.10190	3.6
280.07294	4.4
281.08163	2.2
288.04202	1.4
289.05014	2.2
290.05792	4.5
291.06598	3.0
292.07285	9.0
292.10010	1.1
293.08170	3.6
294.08853	2.3
295.09641	10.4
297.07678	1.8
297.11157	1.3
302.05695	2.7
303.06537	11.6
304.07327	2.9
305.04449	3.6
305.08115	11.1
307.06238	1.9
307.09543	8.8
308.06912	1.2
309.07748	1.6
309.10986	1.7
317.07953	1.1
320.06757	12.0
321.07431	1.5
322.08340	3.7
323.09085	9.4
324.09964	1.6
325.10663	13.0
327.12296	3.3
331.17102	1.0
335.09122	29.7
336.09750	1.6
337.07037	1.8
337.10684	25.8
338.13995	1.9
340.09631	1.5
352.09406	2.0
355.11752	100.0
367.11786	55.7
385.12894	4.9
492.20178	61.6
522.21259	37.6
522.33667	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73685	0.9
53.03951	0.6
55.01881	0.7
57.03421	0.7
59.04989	0.7
59.62336	0.5
61.02930	0.9
63.02350	0.7
65.03931	1.9
67.05500	0.6
69.01817	0.6
69.03444	4.6
69.40585	4.4
70.06570	2.3
71.05008	4.4
72.08136	0.7
79.05478	2.6
81.03403	1.5
81.07033	2.9
84.08148	0.9
85.02897	5.0
86.09708	1.4
87.04469	2.1
89.03912	8.1
91.05485	24.3
93.03422	0.8
93.07024	1.6
94.04179	3.3
95.04971	4.1
95.08613	1.3
97.02893	3.9
99.08106	1.0
103.05471	2.6
105.03379	0.9
105.07021	2.1
105.78642	0.6
106.17649	0.6
106.96652	0.6
107.04941	2.6
107.08612	0.8
109.02884	1.0
109.06548	6.2
110.07193	0.7
111.04420	1.1
115.03908	1.5
115.05460	1.8
117.03384	20.2
117.07007	1.6
119.04955	17.6
119.08593	1.2
120.08073	1.5
121.06496	3.3
121.10124	3.3
122.03642	6.9
123.04440	0.8
123.08109	0.6
123.11724	3.5
125.05983	0.8
127.03922	1.7
129.06998	0.6
130.06564	0.7
131.04912	0.8
133.02846	1.6
133.04973	2.2
133.06525	0.8
134.03629	1.2
135.04431	1.6
136.05194	2.9
137.05983	100.0
138.06316	1.0
141.03285	1.7
143.04935	0.8
144.05745	1.1
145.02849	49.5
145.06508	1.7
146.03529	0.8
147.04413	1.2
147.08101	1.0
149.06001	10.1
150.06618	0.9
151.07549	58.2
160.05202	3.9
161.05980	4.0
163.03943	1.5
163.07565	1.0
165.05568	1.4
167.07060	2.7
168.10208	16.8
168.11310	0.7
172.05249	1.8
173.06000	1.7
175.07536	9.3
175.14841	0.7
176.07124	0.8
177.05476	97.1
178.05911	0.6
179.07054	1.8
180.07953	1.2
181.05038	1.0
186.03111	1.0
186.05525	1.9
187.07552	5.9
189.06914	1.4
191.07016	2.4
191.08621	0.9
193.15871	9.4
194.08182	5.5
201.05360	61.3
205.04892	0.8
205.06569	0.8
206.07199	0.7
209.01221	1.2
211.16991	8.6
216.04309	1.1
217.06482	1.3
218.08177	0.7
218.88458	0.8
219.08008	1.6
230.08157	1.7
231.06523	11.3
234.06784	2.1
235.07443	1.5
236.08324	1.0
237.08919	0.7
247.07541	2.0
248.08315	0.8
249.09122	3.6
251.06926	1.7
251.10721	1.3
253.08684	1.0
262.06284	2.2
263.07065	2.2
264.07846	1.5
265.08621	1.9
268.07455	1.1
277.08615	8.5
278.09430	0.9
279.06491	2.7
279.10150	1.9
283.09625	2.0
292.07217	0.8
293.07898	0.8
294.08966	1.9
295.09802	1.4
296.10464	2.4
305.08038	4.0
309.11227	6.7
311.12738	2.4
322.08453	1.5
325.10815	1.4
337.10699	14.2
346.10828	0.9
346.16498	5.0
346.60770	0.8
355.11768	28.6
368.14911	9.1
392.11954	0.8
392.62280	1.5
393.12228	0.9
401.62808	2.1
402.12851	1.2
410.63168	1.9
497.65677	3.4
498.16180	1.3
504.20120	13.0
522.21283	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	522.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29520	0.8
56.96555	1.1
61.22621	0.7
65.03922	2.2
68.50633	0.7
70.91200	1.8
74.89938	0.8
79.05484	1.3
81.07037	1.0
84.43573	0.7
85.02892	1.6
91.05486	19.6
94.04174	1.1
95.04955	3.4
95.08614	0.9
97.02884	0.8
98.97559	0.9
103.05454	1.1
105.07012	2.0
107.04944	1.3
109.06521	1.1
115.05463	1.6
117.03362	1.2
117.07050	1.1
119.04952	13.9
121.06509	2.6
122.03638	3.2
125.05983	0.8
130.04175	1.1
135.04382	1.2
136.05205	1.7
137.05986	64.4
143.04927	1.7
144.13042	0.7
145.02832	2.3
145.06456	2.0
146.03598	1.5
147.04408	2.9
149.05983	1.4
150.09236	0.7
151.03932	3.6
151.07547	13.9
151.25859	0.8
158.03629	2.3
159.04420	0.8
161.06003	5.6
162.06775	2.2
162.17250	0.7
167.07005	1.6
172.05110	0.8
173.05959	5.6
175.03864	1.7
175.07552	1.6
177.05484	5.6
177.06955	1.6
178.07799	1.4
185.06044	1.1
186.03125	3.2
189.07007	3.0
191.08569	1.7
194.07426	0.8
201.05473	50.5
205.06471	8.2
206.07242	6.0
207.08130	1.0
213.05441	7.0
217.06471	3.3
218.07362	1.4
219.08128	1.7
220.05234	0.7
221.05936	1.2
222.06798	3.5
223.07498	1.1
231.06555	2.4
233.06006	6.6
234.06773	19.3
235.07608	5.5
237.09105	4.0
244.05164	1.2
245.06055	4.3
246.06828	2.2
247.07549	3.4
248.08397	1.6
249.05411	1.5
249.09134	7.6
250.06209	4.3
251.07092	3.3
259.07547	2.0
261.05515	3.0
261.08749	0.7
262.06265	19.0
263.06906	3.8
263.36847	0.8
264.07785	2.7
265.08612	10.1
266.09387	2.7
267.06519	1.7
272.04651	0.9
273.05350	5.1
274.06235	2.4
275.07047	0.8
276.07816	2.4
277.05414	1.1
277.08612	21.8
278.05737	2.6
278.09265	1.5
279.06546	3.9
279.09875	1.3
280.07306	0.9
287.07062	3.0
288.08078	0.8
289.04980	1.6
290.05753	30.9
291.06375	1.1
291.09909	0.9
292.07312	6.4
293.08105	10.0
294.08911	4.8
295.06580	0.8
295.09592	4.2
297.11194	1.8
304.07300	2.3
305.08087	46.7
306.08661	1.2
307.06085	3.0
307.09558	15.5
309.11160	3.4
310.08463	1.1
311.12769	0.8
319.09720	4.6
322.08368	5.1
325.10718	67.2
337.10706	100.0
338.11069	1.2
355.11789	16.3
367.11911	0.9
371.54428	0.8
492.13419	1.2
492.20212	16.8
493.93958	1.1
522.21326	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	522.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.0
55.51416	0.8
67.05501	2.2
70.06589	3.1
72.08153	1.6
78.04715	2.7
79.05515	5.6
81.03419	37.0
81.07053	2.4
84.08147	1.1
85.02889	1.9
86.09699	2.2
91.05480	11.7
93.07046	8.4
94.04180	1.1
95.04958	3.0
95.08615	1.3
103.05476	13.1
105.07046	2.7
106.04237	1.0
107.04956	5.1
107.08635	1.2
109.06557	1.7
109.10114	1.6
115.05450	12.2
116.06242	1.0
117.03357	1.5
117.07034	10.1
118.92380	1.1
119.04910	2.5
119.08560	1.8
120.08126	1.2
121.06508	55.1
122.03643	1.7
123.04446	6.6
128.06223	1.0
129.07018	1.3
129.10339	1.0
131.04942	10.0
132.05702	1.6
133.06471	1.0
135.04396	1.2
137.05978	29.0
138.09140	1.5
140.04706	2.1
143.04918	5.5
144.05742	2.5
145.02834	4.2
145.06497	14.5
146.03593	4.6
147.04401	2.3
147.08047	1.8
149.06032	1.7
151.03899	5.4
151.07533	1.7
152.04668	1.8
153.05510	1.2
155.06024	3.1
155.07054	2.6
158.03619	1.5
160.05206	12.2
161.05975	13.0
163.07524	6.6
164.07086	5.5
165.05528	1.2
167.07043	100.0
172.05202	4.3
173.05994	15.1
175.07552	48.9
177.05482	7.8
177.09213	1.6
181.05009	2.1
187.05876	2.0
187.07553	35.6
189.07034	1.3
190.06258	3.5
191.07033	5.1
192.07797	1.2
197.08119	1.5
201.05470	11.3
205.06667	1.5
205.08530	11.8
206.07321	1.7
207.08202	1.8
207.10094	2.1
211.16896	1.1
213.05499	2.1
217.06755	1.0
217.08638	4.3
218.07785	0.9
219.08031	2.3
221.09673	1.3
231.06436	2.6
233.08084	2.7
234.06656	2.2
235.07541	2.6
235.09650	26.3
237.09033	1.7
249.09113	4.2
251.07079	3.0
253.79683	1.0
263.07010	2.0
264.07898	1.1
265.08456	1.3
267.10117	1.1
277.08615	6.3
278.09616	1.0
280.07220	1.3
281.11710	4.2
289.10587	5.4
292.07236	1.5
293.08267	1.2
294.08847	1.9
295.09650	3.2
301.10678	1.1
307.09662	2.0
309.11148	8.3
314.11618	1.4
323.08969	1.6
326.11417	4.4
327.12222	1.8
335.09058	2.6
337.10510	1.7
338.13980	1.6
339.12286	3.9
341.13809	18.8
355.11719	7.9
367.11700	4.1
368.14893	4.1
370.16663	4.5
384.14584	1.2
385.13202	1.7
387.69141	1.0
398.15982	1.9
492.20139	6.1
504.20029	3.7
522.21246	20.1
522.28772	1.0
543.74011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40704	0.7
51.02396	1.4
53.03934	3.3
62.70580	0.8
67.05492	1.1
70.06592	5.5
72.08153	1.3
78.04717	2.1
79.05499	5.5
81.03419	31.3
81.07063	2.1
84.04521	1.0
84.08122	4.0
85.02896	2.4
86.09728	4.6
89.03925	3.2
91.05486	12.2
93.03391	0.9
93.07058	8.7
94.04193	1.8
95.04966	3.0
95.08606	1.8
97.02894	1.5
103.05473	12.6
105.03395	1.0
105.04512	1.7
105.07031	2.8
106.04218	1.5
107.04957	9.7
109.02854	1.1
109.06503	2.0
111.04482	1.0
111.08023	1.0
115.05466	11.2
117.03387	7.7
117.07035	8.7
119.04958	4.2
119.08601	2.5
120.08115	1.6
121.06509	51.6
122.03680	1.9
123.04416	6.6
124.05208	2.5
125.05973	1.3
128.06232	1.0
129.07034	1.8
131.04932	8.7
132.05725	1.3
133.06480	0.9
135.04422	1.0
136.07556	2.5
137.05986	28.4
138.09129	1.7
140.04692	2.1
143.04942	5.5
144.05695	3.5
145.02852	17.6
145.06473	12.2
146.03680	4.2
146.06032	1.1
147.08084	2.2
149.05975	3.9
151.03920	3.6
151.07555	3.4
152.04713	1.9
153.05403	1.2
155.06003	1.9
155.07086	2.2
160.05202	13.2
161.05995	12.8
163.03883	1.2
163.07544	5.5
164.07091	6.1
165.05455	1.6
167.07047	100.0
172.05208	3.4
173.05975	12.1
175.07555	52.5
177.05482	33.5
179.07072	1.0
181.04924	1.7
187.07565	30.2
189.05396	1.1
189.07051	1.8
189.09045	1.1
190.06247	5.2
191.07016	5.2
192.07805	1.1
193.08569	1.9
195.08043	1.0
201.05431	20.1
203.07027	1.6
205.08586	10.5
207.08278	1.7
207.10138	2.0
217.08638	3.8
218.07608	1.0
221.09671	1.6
222.11269	1.1
223.07581	1.0
230.08167	1.4
231.06593	3.6
233.05997	1.2
233.08138	2.5
234.06808	2.4
235.07507	3.3
235.09648	24.5
235.20061	1.0
248.08752	1.4
249.09096	4.2
251.06964	2.3
252.08029	1.0
263.07007	1.7
264.07825	1.1
265.08627	1.6
266.09387	1.2
267.10281	2.0
277.08627	6.0
281.11691	3.1
285.07492	0.9
289.10718	5.4
293.08029	1.9
294.08823	1.3
302.13739	1.0
305.07916	1.1
307.09625	1.6
309.11166	6.7
310.11871	1.3
311.08981	1.0
313.10785	1.0
323.09207	1.7
325.10672	2.1
326.11371	3.3
337.10773	3.6
338.13837	6.4
339.12299	3.9
341.13821	16.7
346.16666	1.5
350.13840	1.1
355.11734	3.9
361.09265	7.5
367.11890	2.1
368.15186	4.2
370.16550	3.6
385.12811	2.2
390.77872	1.0
398.15894	2.0
402.15775	1.2
468.27997	1.3
486.29196	1.2
490.19489	1.1
492.20804	1.8
504.20029	5.6
522.21405	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02388	0.4
70.06600	0.8
70.84605	1.0
72.08144	0.6
72.31204	0.4
84.08176	0.5
85.02897	0.6
86.09725	0.8
87.16486	0.4
89.03921	3.9
89.67959	0.4
91.05478	0.5
103.05463	0.6
111.78736	0.4
115.05460	1.5
117.03379	16.0
120.08122	0.8
134.03630	0.7
135.04472	0.6
137.05983	3.4
143.04915	1.0
145.02850	50.5
149.05978	6.9
151.03922	1.1
160.05154	1.8
160.96873	0.4
163.03925	0.9
166.08636	0.7
175.07553	6.8
177.05472	100.0
186.05537	0.7
187.07498	0.4
201.12555	0.5
206.08333	0.4
218.08104	11.2
342.13354	34.8
381.01114	0.4
504.18472	1.0
505.66684	0.4
522.20215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.05023	0.4
63.02392	0.5
69.03408	1.2
69.07032	0.6
69.16483	4.5
70.06600	3.1
72.08141	1.8
81.03416	0.5
81.07051	0.9
83.28352	0.4
84.04509	1.0
84.08144	1.7
85.02911	1.0
86.09718	2.1
88.03990	1.7
89.03907	4.0
89.37771	0.5
91.05486	1.6
93.07059	0.5
97.02866	0.6
103.05450	1.6
104.05840	0.5
109.06540	0.6
111.04430	0.6
115.05445	1.8
117.03386	16.7
117.06981	0.6
119.08588	0.6
120.08076	1.9
121.06530	0.6
122.02726	1.4
131.04939	2.6
132.05269	0.9
134.03624	0.8
135.04424	1.2
137.05975	3.4
143.04929	1.8
145.02852	57.6
145.10132	1.4
149.05980	6.8
151.03915	1.7
160.05165	2.3
161.05983	0.6
163.03908	1.7
163.07542	0.7
166.08606	1.1
167.07069	0.6
175.07558	8.0
177.05475	100.0
179.08958	0.5
186.05519	1.0
192.06534	1.1
203.14447	0.6
218.08112	12.6
224.28403	0.5
342.13403	34.2
342.17178	1.8
342.69379	0.4
343.13531	0.6
504.18661	1.0
522.20227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06306	0.4
70.02944	0.5
70.06591	4.1
72.08138	1.7
75.05659	0.4
81.07045	0.5
84.04490	1.4
84.08121	1.4
85.02898	1.1
85.06601	0.4
86.09716	2.9
88.03979	1.4
89.03915	5.2
91.05453	1.2
93.07053	0.8
95.04964	0.5
95.08627	0.7
97.02882	0.8
98.21565	1.6
102.05556	0.6
103.05466	6.4
104.05806	2.4
105.07050	0.8
107.08583	0.6
115.05456	2.0
116.07044	0.6
116.20348	0.4
117.03379	17.9
119.04946	0.4
120.08100	2.2
121.06470	0.8
122.02717	1.5
129.10225	1.0
131.04929	8.8
132.05270	5.7
134.03671	1.2
135.04410	0.8
136.07552	0.5
137.05980	3.8
143.04886	1.1
145.02850	56.0
145.10095	0.8
145.51768	0.5
147.04387	0.5
149.05998	6.0
151.03914	2.1
160.05182	2.9
161.05968	1.4
162.06305	0.6
163.03911	1.1
163.07553	3.2
164.07895	1.5
166.08536	0.6
175.07544	7.4
177.05472	100.0
178.05768	0.6
185.13397	0.6
186.05455	0.6
192.06500	1.0
218.08138	12.8
229.93686	0.8
237.09138	0.5
284.25635	0.5
324.16193	0.6
335.37378	0.5
342.13388	34.0
342.17117	1.6
504.18521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3115
Annotation	C11300
Peak:m/z	Relative Intensity
53.03939	3.8
55.01860	3.4
55.05514	8.1
56.96571	3.2
57.03422	2.6
59.05003	1.3
61.02922	1.8
66.57639	1.3
67.05511	13.9
68.81858	1.2
69.03442	10.0
69.07076	9.6
70.06586	5.1
71.04982	5.3
71.51695	2.6
72.08150	3.2
73.02909	1.4
79.05495	14.0
81.03421	8.2
81.07064	15.2
83.04980	4.9
83.08640	7.0
85.02904	14.3
85.06551	3.8
86.09710	3.1
87.04445	2.2
89.03931	1.7
91.03931	1.9
91.05491	17.5
93.07048	24.9
95.04968	24.4
95.08608	30.7
97.02904	6.4
97.06541	20.0
98.97575	4.1
99.04465	2.5
99.08070	2.2
103.05459	3.5
105.07036	20.5
107.04965	7.1
107.08599	23.7
109.02892	3.0
109.06532	12.3
109.10151	4.7
109.66076	1.4
111.08080	11.3
115.05475	1.8
117.03403	1.8
117.07055	4.9
119.04946	4.9
119.08579	13.9
121.06514	14.8
121.10152	31.1
123.08082	41.4
123.11747	1.9
125.05977	4.4
125.09634	6.4
127.00669	1.6
127.03931	2.7
128.06200	2.2
129.06999	5.2
131.04944	5.4
131.08563	16.9
133.02908	4.3
133.06528	4.2
133.07687	2.4
133.10136	11.2
134.07202	1.3
135.04419	7.0
135.08083	4.2
135.11740	2.9
137.05980	14.3
137.09631	9.3
138.06302	1.7
139.07582	7.8
139.11145	1.9
141.06984	3.8
141.09119	2.1
142.07884	1.5
143.08577	11.9
145.02899	5.5
145.05028	2.0
145.06467	6.7
145.10107	9.4
147.04388	3.6
147.08058	10.6
147.11676	4.2
149.06018	4.0
149.09631	47.3
150.06808	2.1
150.10449	4.0
151.03842	1.6
151.07567	4.7
151.11200	4.8
153.05362	1.6
155.08583	5.9
156.09377	1.6
157.06487	2.2
157.10078	6.9
159.08089	7.7
159.11681	7.5
161.05983	4.8
161.09647	11.7
161.13280	2.3
163.07576	3.7
163.11157	3.0
165.06989	1.7
165.09152	2.0
167.07114	8.0
167.10683	89.0
169.10191	4.5
171.08035	12.5
171.11731	4.9
173.06059	2.0
173.09592	11.4
173.13269	4.2
175.07593	4.5
175.11243	5.4
175.14853	1.6
177.05475	11.7
177.09090	1.7
178.05731	2.0
179.00179	1.8
179.07034	3.3
179.08514	3.1
181.04961	2.6
181.10201	7.5
183.08043	1.6
183.11664	6.8
185.09680	5.3
185.13284	3.8
187.07596	2.6
187.11234	3.5
189.09143	17.3
189.12746	7.8
191.07036	2.2
193.10202	2.1
195.08118	1.9
195.11726	6.4
197.09619	4.2
197.13316	4.8
198.87096	1.6
199.07527	2.1
199.11195	7.6
201.05469	4.2
201.09215	1.8
201.12776	5.4
202.05896	3.3
203.10800	2.9
203.14427	1.9
205.10301	1.9
205.12273	3.3
207.10226	5.7
207.11928	2.0
209.13293	1.9
211.11243	4.7
211.14914	4.7
213.09053	3.3
213.12773	5.8
214.01524	2.4
215.10675	3.0
217.12218	2.4
218.08038	2.0
219.01747	2.2
219.13754	1.9
221.13295	4.8
223.11230	4.5
223.14841	3.6
223.32230	1.5
225.12764	5.0
227.02245	2.2
227.10712	3.3
227.14378	4.5
229.12189	2.9
231.13875	6.0
233.13339	1.8
235.14944	2.8
237.02852	2.3
237.12778	2.7
237.16362	1.5
239.02415	1.6
239.14400	4.7
240.03152	2.3
241.15874	2.9
243.13708	2.3
249.16338	2.1
251.14221	1.9
253.15849	3.0
255.13829	2.4
255.17426	1.9
257.15451	1.7
259.17212	1.6
263.14417	3.5
265.15927	2.3
267.17456	4.0
269.15268	3.5
273.15063	3.8
277.08578	2.8
278.09137	2.0
281.15433	9.0
281.18784	1.9
283.17041	9.5
291.06058	2.3
291.17508	4.1
297.14935	2.6
299.16415	4.3
301.18030	8.3
305.08109	3.1
306.08469	4.1
309.18423	13.6
313.18073	3.5
317.17651	1.7
319.19247	5.1
325.10730	1.8
326.11069	2.6
327.19580	9.1
337.10730	3.5
337.18097	3.3
338.11075	8.8
345.20691	1.9
346.10828	5.6
349.21652	1.6
355.19028	9.5
367.22672	14.2
373.20132	3.2
385.23764	6.8
391.22607	2.6
392.12015	13.4
392.62094	2.6
401.12604	8.9
401.62827	2.5
407.25830	4.3
409.23792	2.7
410.13046	5.0
410.63379	2.4
412.63416	2.5
413.08780	1.8
413.13657	1.8
416.12924	3.0
422.12769	1.6
425.26865	3.0
427.24731	2.1
431.25906	10.6
445.26178	1.9
449.26852	38.0
467.27927	48.6
473.14880	4.2
485.29028	25.1
497.15845	6.4
497.66672	1.8
503.30121	37.8
521.31171	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25217	14.4
69.39170	100.0
81.07061	37.2
90.89657	13.8
93.07061	27.2
95.08633	35.3
105.07012	18.7
106.14877	12.9
107.08581	29.5
109.10165	17.7
119.08516	13.3
121.10196	15.6
137.09610	14.2
147.11729	16.9
165.12782	12.3
184.07382	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	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40543	0.6
69.75278	3.5
70.06588	0.6
72.08133	0.7
84.04504	0.6
91.05472	1.4
96.42960	0.6
98.08976	0.6
115.05505	0.7
117.07060	1.2
118.06551	18.6
130.06543	1.3
132.08104	4.5
142.06454	1.4
143.07300	1.8
144.08093	12.4
146.06023	56.9
159.09207	5.9
160.07579	0.9
170.06029	4.8
174.52585	0.6
188.07083	100.0
188.94789	0.6
205.09741	49.8
299.06241	0.7
401.95526	0.8
475.23190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98540	0.2
55.05509	0.3
55.50200	0.2
56.05037	0.6
58.06361	0.2
58.06625	0.6
60.08165	5.2
67.05499	0.6
69.83557	0.4
69.83970	0.8
71.04299	0.2
71.07377	2.5
78.54845	0.2
81.07056	0.4
81.08120	0.2
86.09709	30.4
93.55972	0.2
95.08599	0.5
98.98475	2.9
104.10755	3.1
125.00011	20.1
166.82906	0.2
184.07349	100.0
222.56604	0.2
226.22751	0.2
299.51608	0.2
320.56836	0.2
321.42978	0.2
502.32858	1.2
520.34021	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3402
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05506	1.1
55.63996	0.5
56.05033	1.0
58.06596	1.0
60.08169	16.6
67.05514	3.0
68.12921	0.4
69.07064	1.4
69.70753	0.5
70.68932	1.3
71.07380	6.4
79.05481	0.7
81.06656	0.4
81.07059	2.8
82.89342	0.5
83.08614	0.7
84.11874	0.4
86.09711	49.1
91.05490	0.5
92.43127	0.4
93.07079	0.4
95.08611	1.9
98.98472	3.4
104.10750	100.0
112.49849	0.5
125.00014	26.7
163.01620	0.6
183.82162	0.4
184.07353	93.7
250.94907	0.5
258.11063	1.3
337.27118	0.7
348.83350	0.5
493.40622	0.5
502.32932	9.6
520.34009	41.7
521.34271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88683	1.0
53.03948	6.5
54.63358	1.0
55.01868	3.9
55.05511	9.4
55.40729	1.0
56.05048	1.3
57.03442	1.6
57.07078	2.6
58.99583	2.7
63.41775	1.0
65.03946	2.1
67.05503	22.0
68.88097	1.0
69.03423	11.3
69.07062	9.6
70.06583	5.0
70.90392	2.3
70.90767	2.2
71.04996	8.1
73.02914	2.1
75.45806	1.1
76.02221	4.5
79.02949	1.1
79.05496	24.1
81.03425	6.0
81.07058	100.0
83.04969	3.4
83.08611	2.7
84.04491	1.8
84.08150	1.4
85.02909	17.1
85.06527	3.8
86.09692	3.2
87.00828	8.6
91.05477	24.3
93.07046	55.5
95.04996	6.3
95.08611	33.8
97.02882	9.1
97.06528	4.9
97.10142	1.9
99.04457	3.6
101.37894	1.2
103.05488	2.2
105.01854	6.9
105.07033	52.8
107.04990	1.4
107.08598	40.5
109.02891	7.8
109.06555	5.8
109.10165	24.3
111.08070	9.2
115.05439	1.4
116.01685	3.4
117.07027	8.5
119.08582	39.6
120.08099	2.2
121.06516	3.4
121.10158	29.3
123.08058	5.9
123.11701	8.7
125.09621	3.1
127.03927	12.4
129.06966	2.0
130.07768	3.7
131.08577	20.1
133.10143	30.3
135.08069	4.1
135.11682	11.0
135.37675	1.0
137.05966	2.6
137.09633	6.4
142.03201	2.2
143.08551	2.3
144.01120	1.9
144.09335	1.7
145.04962	5.8
145.10124	43.2
146.10867	1.8
147.11693	9.7
149.09615	4.0
149.13289	7.0
151.11172	8.7
157.10074	2.8
159.02864	4.4
159.11696	36.9
161.13266	20.2
162.02159	4.0
163.11186	33.2
163.12566	2.2
163.14854	2.1
165.12755	2.8
167.07034	1.3
171.11665	1.8
173.13269	10.1
175.07626	1.4
175.14873	8.6
177.05585	1.6
177.12758	5.2
177.16414	2.8
179.04861	2.1
189.16368	1.5
191.14333	1.8
191.17929	4.7
199.14891	1.2
201.16388	47.3
219.17436	52.3
231.05063	3.5
270.15158	2.1
288.16302	1.5
342.36108	1.2
373.17899	18.0
391.18652	2.0
445.20096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34212	3.7
53.03942	9.2
54.34192	3.6
55.05510	20.5
57.03441	3.9
67.05508	32.9
69.03441	19.2
69.07068	13.8
70.06590	20.6
71.04999	6.2
72.08167	10.0
79.05499	30.3
81.03455	9.2
81.07063	67.5
83.04970	6.5
84.08154	10.3
85.02909	35.5
86.09705	15.5
86.23695	3.6
87.00856	11.8
91.05486	60.3
93.07056	78.5
95.04968	11.4
95.08617	68.9
97.02894	13.6
97.06556	4.3
98.20708	7.9
98.97583	4.4
99.04459	5.8
103.05471	9.0
105.01868	19.2
105.07034	79.4
107.04953	8.0
107.08595	80.0
109.02875	8.6
109.06547	6.2
109.10184	28.2
110.07129	5.1
116.07129	4.7
117.03404	6.2
117.06982	25.8
119.04989	7.0
119.08604	42.6
120.08103	7.0
120.10464	3.7
121.06503	15.0
121.10156	44.2
123.08044	5.4
127.03909	22.5
129.06982	6.8
129.10283	7.0
130.07761	5.5
131.08595	50.2
133.10149	23.4
135.11761	19.9
137.06029	18.5
138.05516	6.9
143.08572	5.0
145.02852	11.4
145.05002	13.5
145.06453	4.1
145.10129	97.8
147.04425	4.4
147.11673	14.9
149.05959	9.1
149.09660	7.9
149.13281	20.4
151.03922	7.6
151.07417	4.7
159.11707	53.2
161.13278	18.6
163.11140	4.8
163.14830	7.6
167.07025	11.6
167.10739	5.0
167.14352	5.6
173.13235	19.7
175.07521	8.1
175.14793	7.8
177.05519	23.5
177.19980	4.5
177.21501	3.8
189.16461	4.1
191.18010	5.7
201.05426	9.5
201.16396	100.0
219.13876	5.6
219.17509	34.8
221.06174	5.2
221.08145	14.6
229.47038	4.6
229.72482	4.5
231.04855	5.5
233.08150	7.7
277.08643	4.7
321.08115	4.0
327.12616	4.8
353.10281	8.9
355.11401	4.3
358.16467	5.2
361.29761	4.3
399.81952	4.3
520.20306	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05501	5.4
56.02959	1.2
57.03456	6.3
57.07117	1.2
60.08155	1.6
67.05183	2.1
67.05511	26.6
67.41010	1.5
69.07068	6.7
70.63145	1.3
71.04984	1.3
71.08579	1.1
71.52113	1.1
71.52556	2.3
79.05499	15.8
81.07061	24.3
83.08623	2.5
86.09699	5.5
88.03992	5.1
91.05493	6.8
93.07052	15.2
95.08607	21.7
97.10168	1.6
98.98469	3.6
105.07040	4.1
107.08604	9.4
109.10183	9.2
112.16296	1.2
119.08592	3.4
121.10133	5.8
123.11723	2.8
124.93760	8.8
124.99993	2.8
131.08548	2.7
133.10123	3.5
135.11714	3.2
149.13211	2.4
159.11589	1.6
159.14034	1.4
161.13275	1.5
167.98001	4.9
184.07393	11.6
185.07671	2.9
185.99062	2.3
186.07797	3.7
195.95197	1.1
198.97424	3.1
199.76146	1.3
261.22107	1.6
335.25806	100.0
348.25107	1.5
439.72729	1.3
457.36209	2.2
459.18848	2.2
459.29849	1.8
481.00629	1.5
485.32050	1.5
520.24231	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	520.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01566	0.2
63.02384	0.5
70.08617	0.7
78.04729	0.3
89.03920	8.0
91.05487	0.6
95.08563	0.2
103.05485	0.4
106.04158	0.4
117.03389	23.6
119.04939	0.3
119.08581	0.2
121.06532	0.5
134.03679	1.7
135.04402	1.1
137.89534	0.2
145.02856	53.5
146.03221	0.3
147.04431	0.2
149.05997	8.0
151.07567	0.6
158.06061	0.6
162.03174	0.2
163.03876	0.6
177.05481	100.0
178.05861	0.4
183.08620	0.2
186.05544	2.1
326.14221	0.2
330.46414	0.2
344.14859	0.7
408.54224	0.2
451.40024	0.2
520.19641	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01864	1.0
55.05516	1.1
56.96555	0.7
57.03424	0.5
59.05003	0.8
65.03932	0.6
66.04725	0.5
67.05501	1.9
69.03421	1.9
69.07058	0.9
70.06596	4.1
70.52363	0.8
70.52701	1.0
71.04977	0.7
72.08146	1.9
79.05493	3.2
81.03413	0.8
81.07057	4.3
83.08614	0.6
84.08157	1.3
85.02917	2.6
85.06547	1.5
86.09715	2.1
89.03931	0.7
91.05479	5.7
91.98190	0.5
92.05828	0.6
93.07051	4.9
94.04194	1.6
94.07377	0.5
95.04980	2.2
95.08614	2.5
96.08971	0.5
97.02838	0.6
97.06545	0.8
98.97588	0.6
102.04666	0.6
103.05477	1.2
105.01904	0.8
105.03419	0.6
105.07034	5.6
107.04974	1.2
107.08614	3.4
109.02845	0.9
109.06529	2.1
109.10152	2.2
110.07202	0.7
111.04439	0.6
111.08065	0.9
115.05458	7.3
117.03381	1.6
117.07016	1.8
119.04932	2.6
119.08591	2.8
120.08128	2.0
121.06498	2.2
121.10160	2.6
121.48669	0.5
122.03659	4.5
123.04424	0.7
123.08067	1.6
123.11707	0.8
125.06001	1.5
125.09685	1.0
127.03956	1.0
128.06230	0.8
129.06966	1.0
129.10283	1.1
130.04193	1.4
131.04971	0.6
131.08553	1.9
132.04471	0.6
133.06534	1.2
133.10159	3.0
135.04419	0.7
135.08086	0.9
135.11696	1.2
137.05984	67.4
139.07523	1.2
143.04929	4.8
143.10677	1.3
144.05708	1.3
145.02834	3.1
145.04961	0.7
145.06482	2.3
145.10080	2.7
146.03644	0.9
147.04398	2.5
147.08064	1.2
149.06003	1.7
149.13297	0.8
151.03900	7.2
151.05025	0.9
151.07487	1.1
151.11246	0.8
153.05531	1.2
155.06052	0.6
155.08420	0.7
157.10127	0.7
158.03690	2.4
159.11705	2.2
160.05194	6.3
160.12035	0.9
161.05997	6.6
161.09671	0.6
161.13264	1.6
162.06723	3.2
163.03883	0.8
163.11153	0.6
165.07066	0.7
166.08681	0.9
167.07050	1.6
170.03630	0.6
171.08101	0.6
173.05977	6.3
173.09624	1.4
173.13312	0.6
174.10065	0.7
175.03976	1.1
175.07555	18.9
177.05515	4.9
177.06940	0.9
178.07774	1.7
181.08632	0.9
183.11688	0.7
185.05975	1.1
186.03140	3.1
186.05537	0.6
187.11198	1.0
189.06958	2.8
190.07803	0.7
191.08565	0.7
192.06549	1.5
194.07217	0.6
195.08076	0.9
199.09686	0.6
201.05469	49.7
201.16386	1.3
202.05942	0.6
202.07820	1.2
203.08630	0.6
205.06544	5.0
205.08351	0.9
206.07309	6.5
207.06419	0.6
207.08160	1.2
211.07596	0.7
213.05484	6.8
213.12616	0.5
214.06281	0.7
217.06418	2.9
218.08141	36.1
219.08113	1.5
219.17508	1.3
220.05234	1.9
221.06041	1.4
221.09444	0.7
222.06776	2.1
223.07565	1.7
231.06429	4.0
231.08536	0.7
233.05992	5.5
233.08139	4.8
234.06766	21.5
235.07536	6.2
236.08318	0.6
237.08968	3.0
237.18440	0.5
238.06319	0.5
238.09856	0.7
244.05238	1.1
245.05940	6.0
246.06781	1.7
247.07649	1.8
248.08386	1.8
249.05577	0.6
249.06639	0.8
249.09093	7.2
250.06239	3.6
251.06934	3.7
259.07532	2.0
261.05414	2.5
262.06259	21.3
263.07007	4.8
264.07861	2.0
265.08536	7.5
265.15805	0.7
266.09363	1.8
267.06516	0.9
267.10437	0.6
268.07062	0.6
272.04666	1.0
273.05499	6.6
274.06247	2.3
275.07162	0.9
276.07858	2.0
277.05405	1.4
277.08578	22.8
278.05838	2.2
278.09344	1.0
279.06598	4.0
279.10376	1.1
280.07251	0.8
282.08932	1.1
283.09479	0.7
287.06949	2.6
289.05017	1.8
289.10382	0.6
290.05759	30.8
291.06494	1.8
291.10150	1.0
292.07336	5.2
293.08127	7.1
294.05807	0.8
294.08746	3.8
295.06476	0.9
295.09695	3.3
295.21106	0.6
297.11182	1.6
299.18918	0.5
304.07309	2.5
305.08075	48.2
306.08713	0.8
307.05988	2.0
307.09671	7.5
309.11163	3.6
311.09705	0.6
312.20871	0.9
319.09616	4.4
321.07678	0.8
322.08395	4.8
325.10718	21.7
327.12527	0.7
337.10699	100.0
339.13419	4.2
355.11801	14.6
357.13437	1.4
367.12662	2.3
440.28503	0.7
448.25687	0.7
466.26624	1.7
484.27783	1.9
488.18201	1.0
490.18707	7.2
502.18451	1.2
502.28888	1.7
520.19812	20.4
520.29639	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	520.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01864	1.0
55.05516	1.1
56.96555	0.7
57.03424	0.5
59.05003	0.8
65.03932	0.6
66.04725	0.5
67.05501	1.9
69.03421	1.9
69.07058	0.9
70.06596	4.1
70.52363	0.8
70.52701	1.0
71.04977	0.7
72.08146	1.9
79.05493	3.2
81.03413	0.8
81.07057	4.3
83.08614	0.6
84.08157	1.3
85.02917	2.6
85.06547	1.5
86.09715	2.1
89.03931	0.7
91.05479	5.7
91.98190	0.5
92.05828	0.6
93.07051	4.9
94.04194	1.6
94.07377	0.5
95.04980	2.2
95.08614	2.5
96.08971	0.5
97.02838	0.6
97.06545	0.8
98.97588	0.6
102.04666	0.6
103.05477	1.2
105.01904	0.8
105.03419	0.6
105.07034	5.6
107.04974	1.2
107.08614	3.4
109.02845	0.9
109.06529	2.1
109.10152	2.2
110.07202	0.7
111.04439	0.6
111.08065	0.9
115.05458	7.3
117.03381	1.6
117.07016	1.8
119.04932	2.6
119.08591	2.8
120.08128	2.0
121.06498	2.2
121.10160	2.6
121.48669	0.5
122.03659	4.5
123.04424	0.7
123.08067	1.6
123.11707	0.8
125.06001	1.5
125.09685	1.0
127.03956	1.0
128.06230	0.8
129.06966	1.0
129.10283	1.1
130.04193	1.4
131.04971	0.6
131.08553	1.9
132.04471	0.6
133.06534	1.2
133.10159	3.0
135.04419	0.7
135.08086	0.9
135.11696	1.2
137.05984	67.4
139.07523	1.2
143.04929	4.8
143.10677	1.3
144.05708	1.3
145.02834	3.1
145.04961	0.7
145.06482	2.3
145.10080	2.7
146.03644	0.9
147.04398	2.5
147.08064	1.2
149.06003	1.7
149.13297	0.8
151.03900	7.2
151.05025	0.9
151.07487	1.1
151.11246	0.8
153.05531	1.2
155.06052	0.6
155.08420	0.7
157.10127	0.7
158.03690	2.4
159.11705	2.2
160.05194	6.3
160.12035	0.9
161.05997	6.6
161.09671	0.6
161.13264	1.6
162.06723	3.2
163.03883	0.8
163.11153	0.6
165.07066	0.7
166.08681	0.9
167.07050	1.6
170.03630	0.6
171.08101	0.6
173.05977	6.3
173.09624	1.4
173.13312	0.6
174.10065	0.7
175.03976	1.1
175.07555	18.9
177.05515	4.9
177.06940	0.9
178.07774	1.7
181.08632	0.9
183.11688	0.7
185.05975	1.1
186.03140	3.1
186.05537	0.6
187.11198	1.0
189.06958	2.8
190.07803	0.7
191.08565	0.7
192.06549	1.5
194.07217	0.6
195.08076	0.9
199.09686	0.6
201.05469	49.7
201.16386	1.3
202.05942	0.6
202.07820	1.2
203.08630	0.6
205.06544	5.0
205.08351	0.9
206.07309	6.5
207.06419	0.6
207.08160	1.2
211.07596	0.7
213.05484	6.8
213.12616	0.5
214.06281	0.7
217.06418	2.9
218.08141	36.1
219.08113	1.5
219.17508	1.3
220.05234	1.9
221.06041	1.4
221.09444	0.7
222.06776	2.1
223.07565	1.7
231.06429	4.0
231.08536	0.7
233.05992	5.5
233.08139	4.8
234.06766	21.5
235.07536	6.2
236.08318	0.6
237.08968	3.0
237.18440	0.5
238.06319	0.5
238.09856	0.7
244.05238	1.1
245.05940	6.0
246.06781	1.7
247.07649	1.8
248.08386	1.8
249.05577	0.6
249.06639	0.8
249.09093	7.2
250.06239	3.6
251.06934	3.7
259.07532	2.0
261.05414	2.5
262.06259	21.3
263.07007	4.8
264.07861	2.0
265.08536	7.5
265.15805	0.7
266.09363	1.8
267.06516	0.9
267.10437	0.6
268.07062	0.6
272.04666	1.0
273.05499	6.6
274.06247	2.3
275.07162	0.9
276.07858	2.0
277.05405	1.4
277.08578	22.8
278.05838	2.2
278.09344	1.0
279.06598	4.0
279.10376	1.1
280.07251	0.8
282.08932	1.1
283.09479	0.7
287.06949	2.6
289.05017	1.8
289.10382	0.6
290.05759	30.8
291.06494	1.8
291.10150	1.0
292.07336	5.2
293.08127	7.1
294.05807	0.8
294.08746	3.8
295.06476	0.9
295.09695	3.3
295.21106	0.6
297.11182	1.6
299.18918	0.5
304.07309	2.5
305.08075	48.2
306.08713	0.8
307.05988	2.0
307.09671	7.5
309.11163	3.6
311.09705	0.6
312.20871	0.9
319.09616	4.4
321.07678	0.8
322.08395	4.8
325.10718	21.7
327.12527	0.7
337.10699	100.0
339.13419	4.2
355.11801	14.6
357.13437	1.4
367.12662	2.3
440.28503	0.7
448.25687	0.7
466.26624	1.7
484.27783	1.9
488.18201	1.0
490.18707	7.2
502.18451	1.2
502.28888	1.7
520.19812	20.4
520.29639	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	519.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59626	0.3
53.03934	0.6
53.33012	0.2
55.01873	0.4
58.99576	0.3
65.03940	0.5
65.39661	0.3
67.05499	0.5
69.03444	2.0
70.06598	1.4
71.51833	0.3
72.08141	0.9
76.02216	1.1
79.05481	0.7
81.03405	1.6
81.07021	0.3
82.10088	0.3
84.04501	0.6
84.08127	0.7
85.02901	2.0
86.09718	1.6
87.41074	0.2
89.03905	0.8
91.05478	0.8
92.04992	0.5
93.07041	1.1
94.06580	1.4
95.07356	0.6
95.08641	0.3
96.08153	1.9
97.02885	1.4
103.05450	0.6
105.06982	0.3
108.08139	1.8
109.02903	0.5
110.07114	0.5
110.09689	3.2
116.01730	0.3
116.05001	3.8
117.58399	0.2
118.06569	0.3
119.04907	0.4
120.04442	0.5
120.08109	3.0
121.06498	0.3
122.03653	0.5
122.06043	2.7
122.09724	0.3
123.04446	0.3
124.07544	0.3
127.03930	0.3
136.07584	5.6
137.05986	6.5
138.09145	3.9
143.04868	0.3
144.04451	8.9
145.02827	0.5
146.06024	2.1
147.04417	0.4
148.03943	2.2
148.07619	1.6
149.06035	0.4
150.09183	0.3
151.03860	0.5
152.07082	0.6
154.08508	0.4
161.06021	0.5
162.02260	0.5
162.05519	4.0
163.03899	0.6
164.07111	0.4
166.05003	0.6
166.08653	10.1
167.07045	0.6
172.03941	47.3
173.04199	0.2
174.05490	0.9
177.05486	0.7
179.04839	0.8
180.05127	0.3
190.04996	9.4
204.06570	100.0
205.06958	0.4
206.08063	0.4
222.07535	0.3
232.05606	0.3
251.11815	0.7
255.11195	0.4
279.11246	0.6
281.12415	0.3
283.10797	1.0
297.12292	0.5
299.06290	0.5
308.09045	0.5
311.13773	0.4
316.08124	0.7
325.11774	2.1
327.12305	0.4
329.14966	1.8
334.09259	2.3
339.13367	2.2
343.12958	1.4
357.14447	15.5
366.11734	0.4
400.09256	0.3
459.17477	0.4
469.16064	0.5
487.17139	2.4
501.18594	1.0
519.19116	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2959
Annotation	Leuzeasterone
Peak:m/z	Relative Intensity
53.03937	2.1
55.01878	2.3
55.05502	6.7
56.96559	2.8
57.03424	2.1
57.07069	3.5
59.04985	4.7
65.87098	1.5
67.05493	9.3
68.99770	3.8
69.03444	8.4
69.07056	4.2
70.06588	14.5
71.04998	4.2
71.52233	2.9
72.08141	6.4
73.04743	1.5
79.05496	14.6
81.03433	3.1
81.07056	15.5
83.04964	3.9
83.08604	2.0
83.20158	1.5
84.04490	2.9
84.08123	4.3
85.02890	7.6
85.06549	3.8
86.09703	9.3
89.03901	2.3
91.05461	17.2
93.07040	24.0
95.04982	10.6
95.08616	11.9
97.02876	3.1
97.06530	9.0
98.97596	2.9
99.08092	2.9
101.05995	2.2
103.05475	2.4
105.03376	2.1
105.07026	20.0
107.04960	5.8
107.08614	19.4
109.06503	16.3
109.10155	8.0
110.07182	2.2
111.04471	6.1
111.08064	10.3
113.05957	2.1
115.05463	4.1
117.07002	7.8
119.04947	3.2
119.08575	16.4
120.08090	3.8
121.06502	15.0
121.10149	10.4
123.08065	14.7
123.11720	3.0
125.05979	5.7
125.09646	4.0
127.03952	2.2
127.07587	3.2
128.06230	3.7
129.05463	2.3
129.06963	4.8
129.10210	1.8
131.04936	4.8
131.08578	18.3
131.92175	1.9
133.06482	4.0
133.10081	10.2
135.04404	4.8
135.08032	12.6
135.11678	5.9
137.05988	20.9
137.09592	4.1
139.07530	12.5
141.06976	2.0
143.08606	8.4
145.02870	3.4
145.06447	5.9
145.10150	22.0
147.04463	2.2
147.08080	8.5
147.11685	4.3
149.09634	5.2
151.03903	2.3
151.07544	3.5
151.11148	2.8
153.05463	10.1
153.09106	6.2
155.07011	6.5
155.08479	4.8
157.06464	1.8
157.10115	6.2
158.07214	2.5
159.08044	7.5
159.11684	14.1
161.05962	4.1
161.09622	6.2
161.13194	2.7
163.07532	7.2
163.11189	2.4
165.09154	3.8
167.05595	2.4
167.07005	4.4
167.08553	2.0
169.10141	5.6
171.04364	1.8
171.06787	1.8
171.08052	8.8
171.11650	4.9
173.09627	31.3
173.13264	7.2
175.07576	2.4
175.11143	3.8
177.05461	6.2
177.09102	2.3
177.12688	2.8
179.07056	4.1
179.08493	2.5
181.08598	16.1
181.10048	2.9
185.13235	5.2
187.07565	2.2
187.11188	13.8
189.09105	2.8
191.10701	12.2
193.10146	3.0
195.11708	2.3
197.13301	3.2
199.09636	19.8
199.11264	2.3
201.05424	4.0
201.12582	1.9
203.14294	2.0
205.12305	7.9
211.11205	2.4
211.14703	2.4
213.12634	4.1
215.14229	3.7
216.55409	1.6
218.08160	2.1
219.08093	1.7
219.13806	5.8
221.11755	4.7
223.15047	3.2
225.12753	4.8
227.14478	2.5
229.12183	3.5
231.13741	2.4
234.06573	1.9
237.16370	2.7
239.14250	2.0
241.15742	2.2
262.06293	1.9
265.15793	6.7
268.59985	1.8
277.08472	3.2
277.21545	1.9
283.02927	2.0
283.16904	5.7
283.20407	2.3
290.05682	1.9
293.18900	6.1
294.20697	2.8
299.06082	3.3
301.17963	3.8
305.07870	4.2
311.20050	6.5
319.19052	2.8
321.18295	2.5
329.21133	3.9
337.10681	7.4
339.12466	3.5
339.19470	6.8
353.20987	2.5
355.22861	2.9
357.20547	12.6
371.22351	10.5
373.23758	9.6
375.21594	7.7
412.00919	1.6
421.27335	4.2
439.28409	7.9
447.25272	9.8
457.29324	4.0
465.26404	28.5
483.27423	26.3
501.20844	2.3
501.28485	31.1
519.29413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
69.03422	1.3
70.06586	1.4
70.76942	0.7
71.05007	0.4
72.08165	0.8
76.03149	0.4
80.05004	0.6
81.03400	1.1
84.08144	0.6
84.38089	0.3
84.68923	0.3
85.02900	1.3
86.09701	1.1
89.03917	0.6
90.05456	0.3
91.05470	0.7
93.05741	0.4
93.07049	1.0
94.06555	1.1
95.07362	0.6
96.08117	1.5
97.02909	0.8
107.04979	0.5
108.08100	1.6
110.07146	0.3
110.09695	2.9
110.10361	0.5
116.04997	3.1
120.08105	2.5
122.06041	3.3
127.03953	0.7
134.06004	0.4
136.07582	3.9
137.05992	1.6
138.09160	4.1
144.04453	11.1
146.06070	2.0
148.03951	1.0
148.07533	1.7
152.22044	0.3
161.05998	0.5
162.05524	3.6
163.03896	0.6
166.08646	9.9
167.07071	0.5
172.03943	48.3
174.05490	1.0
177.05510	0.4
190.03412	0.7
190.04996	7.6
204.06570	100.0
205.06995	0.4
222.07478	0.9
316.08093	0.4
325.11774	1.8
329.14856	1.5
334.09241	2.4
338.62589	0.4
339.13467	2.4
343.12915	0.5
357.14453	14.6
366.12024	0.5
442.60855	0.4
487.17230	1.7
501.18423	0.7
519.18958	2.0
535.99933	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.4
55.05511	50.5
57.03446	13.3
57.07080	33.6
67.05499	24.0
69.03437	3.0
69.07075	16.8
69.93678	4.8
69.94076	9.2
71.08633	26.1
79.05494	17.2
81.07054	30.6
83.08621	39.7
85.10184	10.7
92.04389	2.6
93.07037	6.0
95.08598	19.0
97.10175	79.2
98.21053	5.5
99.11748	4.0
107.08620	21.3
109.10146	11.0
111.08051	2.8
123.11712	3.3
125.09636	69.1
128.47295	2.9
131.49318	3.0
135.08086	6.7
143.10732	4.0
153.09027	4.4
158.36086	2.8
171.10182	3.6
189.11235	47.4
227.12781	100.0
239.23799	3.5
245.13847	98.4
313.27377	88.8
483.36823	61.9
518.38324	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	519.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.9
53.03929	1.6
54.73773	0.7
55.01873	1.7
56.05032	1.0
57.03436	0.9
60.04515	1.1
65.03931	1.1
65.34309	0.7
66.04699	1.0
67.05495	0.7
67.11387	0.7
69.03439	3.9
69.07070	1.1
70.06599	5.8
71.01341	2.0
71.52087	0.8
72.08154	3.7
73.02911	0.7
77.03915	1.0
79.05497	7.0
81.03423	1.3
81.07046	0.9
84.04515	2.0
84.08154	3.6
85.02911	4.2
86.09704	4.7
87.04482	1.0
89.03928	1.1
91.05467	4.7
93.07047	0.8
94.04204	1.0
95.04961	2.6
97.02897	2.8
103.05469	19.9
105.07032	42.4
107.04955	4.3
108.02095	1.5
109.02892	1.3
109.06496	0.9
110.07177	2.3
111.04433	2.6
115.05467	9.1
116.07084	0.8
118.04176	3.6
119.04955	1.8
120.08102	2.2
121.10213	0.7
122.03649	3.5
123.04434	1.9
125.06010	2.0
127.03924	1.4
129.06993	0.9
129.10233	2.4
130.04170	0.8
131.04927	21.0
133.02855	1.4
133.06491	37.9
135.04446	2.7
136.07593	1.6
137.05980	31.1
141.05377	0.8
142.02965	0.8
143.04936	1.8
143.06047	3.9
145.02843	1.7
145.04941	0.8
145.06448	0.8
147.04430	3.0
149.05986	1.7
150.03127	2.0
151.03912	53.3
151.05017	4.7
153.05461	5.2
157.06512	1.7
159.08012	2.2
160.05206	1.7
161.05983	100.0
162.06718	2.9
163.03900	5.9
163.07552	8.0
165.05473	12.5
167.05583	1.1
167.07024	2.2
175.07529	2.6
177.05484	3.2
178.06218	2.0
179.06963	1.8
187.07545	12.5
189.05521	1.2
191.07045	1.4
195.06522	20.6
196.07332	1.3
203.07022	1.5
205.08557	4.3
215.07059	6.5
219.08025	1.2
247.07526	1.0
265.08698	1.1
277.08640	2.3
279.10196	2.4
281.11765	1.4
291.10236	1.2
299.06430	1.2
307.09644	1.4
309.11209	2.9
311.12543	1.2
321.11087	1.0
327.12231	2.8
339.12326	5.9
357.13141	4.5
365.13849	1.4
474.55951	0.7
501.18729	0.8
519.18488	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	518.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91270	0.1
55.05494	0.2
56.05038	0.5
57.01393	0.1
57.03425	0.1
58.06631	0.4
59.07383	0.1
60.08168	6.1
67.05509	0.5
68.49804	0.1
70.06570	0.1
71.07377	2.9
79.05500	0.2
79.62329	0.1
81.07065	0.4
84.54225	0.1
86.09711	29.4
91.05474	0.2
93.07055	0.3
94.86278	0.1
95.08606	0.3
98.20746	0.2
98.76497	0.1
98.98468	2.8
104.10054	0.2
104.10746	2.6
107.08597	0.2
109.10175	0.1
117.02675	0.1
125.00012	20.7
166.02585	0.2
184.07352	100.0
185.07628	0.1
224.00989	0.1
233.78520	0.1
241.10007	0.1
249.84003	0.1
257.16638	0.1
258.11166	0.1
335.25565	0.1
500.31314	1.1
518.32489	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.1
56.05032	1.1
57.03429	0.4
57.34923	0.2
58.06578	1.4
59.07380	0.4
60.08166	16.2
67.05514	2.4
69.07059	0.4
70.06601	0.3
71.07378	6.5
71.22720	0.3
79.05502	1.7
81.07056	1.7
86.09708	48.7
87.92603	0.2
91.05473	0.7
93.07040	1.9
93.95126	0.2
95.04951	0.3
95.08612	1.5
98.98473	4.1
104.10747	100.0
105.06985	0.4
107.08591	0.7
109.10180	0.4
119.08595	0.4
121.10152	0.3
125.00008	25.8
133.10107	0.2
135.11708	0.3
163.01540	0.4
184.07346	95.4
233.20628	0.2
258.11017	1.1
335.25977	0.7
500.31372	8.3
501.31699	0.4
518.32458	31.8
519.32605	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	23.0
57.03425	8.2
57.07077	10.1
67.05181	6.2
67.05510	89.2
69.03419	5.0
69.07074	27.6
70.57133	9.3
70.57503	7.0
71.08612	9.5
79.05502	26.1
81.07061	100.0
83.08619	19.3
85.06543	4.7
91.05479	27.8
93.07051	38.2
95.04910	4.4
95.08617	73.8
97.06531	11.6
97.10164	13.2
98.20889	4.5
99.08128	5.2
105.07021	18.5
107.08596	23.2
108.69261	4.6
109.10168	37.0
112.99998	23.2
117.06998	6.2
119.08580	17.2
121.10154	29.4
123.08085	7.8
123.11693	19.3
131.08540	8.7
133.10141	22.5
135.08105	8.1
135.11679	12.0
137.13255	10.6
145.10139	7.2
147.11714	10.5
149.13260	11.1
151.14778	10.7
161.13263	18.3
163.14812	9.8
165.16402	7.2
175.02684	4.6
175.14771	16.3
179.14326	14.5
245.22647	37.4
263.23727	60.5
315.23199	5.2
331.26416	14.3
337.27368	55.0
349.26965	6.3
359.17111	21.7
359.67316	8.1
371.25909	7.2
372.77853	5.2
405.30066	28.6
481.31213	8.5
499.32455	16.0
508.81671	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	518.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.5
56.05037	0.8
57.03433	1.5
57.07082	4.9
58.06603	0.6
60.08163	5.6
67.05506	5.2
68.05832	1.0
69.07068	2.5
71.07373	4.2
71.08630	3.7
71.22819	0.6
79.05480	1.6
80.66460	0.4
81.07053	7.0
82.07393	1.6
83.08624	2.2
84.08963	0.5
84.43610	0.4
85.10185	1.6
86.09708	22.8
91.05479	1.4
93.07044	1.4
94.07375	0.5
95.08608	5.3
95.53495	0.4
96.08932	1.0
97.10145	1.2
104.10744	100.0
105.07027	0.8
107.08594	1.1
109.10152	2.7
110.10522	0.5
119.08623	0.6
121.10145	1.0
123.11718	1.1
124.12069	0.5
124.99988	1.5
133.10072	0.8
134.10468	0.5
137.13235	0.4
143.01900	0.7
146.98184	12.7
150.13719	0.4
154.94220	0.7
162.13667	0.4
174.66585	0.4
176.99248	0.9
184.07314	4.8
245.22777	1.2
246.22966	2.3
250.08342	0.5
263.23740	1.5
264.24017	2.9
303.21774	0.9
313.27368	7.3
321.22784	3.8
322.23132	0.7
337.27435	0.8
338.27869	2.4
339.24030	0.5
344.24704	0.8
363.24020	0.5
367.00906	0.5
459.24854	43.5
496.33893	1.8
500.32214	0.6
518.32166	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	11-Epifusidic acid
Peak:m/z	Relative Intensity
55.05490	2.6
55.08445	1.8
61.61297	1.8
67.05512	9.2
69.07069	3.7
71.52094	2.3
79.05479	5.6
81.07066	19.7
87.78249	1.6
91.05479	5.9
93.07053	12.2
93.07538	2.1
95.08611	17.6
97.06540	2.1
104.82640	1.6
105.07039	22.4
107.08603	18.9
109.06548	2.5
109.10173	6.7
117.07024	1.8
117.11757	1.5
119.08585	24.2
121.10162	12.0
123.08073	8.4
131.08563	7.5
133.10141	10.9
135.11694	7.2
137.09586	1.6
137.13190	1.9
143.08562	6.4
145.10083	11.3
146.66058	1.8
147.11702	10.5
149.09558	2.0
149.13272	4.9
154.94229	2.6
157.10121	5.6
159.11726	14.6
161.13281	39.1
163.11197	15.5
163.14853	9.0
165.12801	1.7
171.11702	9.5
172.95285	3.2
173.13242	13.1
175.14816	5.4
180.29933	1.7
183.11642	3.0
184.97243	1.7
185.13263	10.4
187.11131	2.0
187.14830	13.3
189.09221	2.0
189.12752	44.5
189.16373	10.1
192.08987	2.1
193.15718	2.0
197.13252	5.3
199.14795	4.5
201.16380	3.4
203.14310	19.8
203.17670	1.7
205.15906	20.8
207.13832	11.9
207.17447	7.0
210.96878	2.3
211.14859	3.4
213.16455	4.6
223.14850	2.1
224.05843	1.8
225.16386	3.0
225.84203	1.8
231.13866	4.0
233.15437	2.8
235.13226	8.2
235.16962	3.1
237.16403	2.4
239.18013	4.4
241.19408	2.5
249.14967	2.8
261.22116	3.2
277.49020	1.8
387.25284	11.4
391.29843	11.3
404.77713	1.9
409.31067	64.5
419.29404	3.6
437.30603	8.2
451.32153	8.2
455.31567	100.0
469.33099	43.9
473.19629	4.3
479.31653	2.5
497.32217	3.3
515.33801	29.7
516.23956	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	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.05511	9.5
56.96568	4.7
57.03437	2.3
57.07081	1.4
59.11454	1.1
61.02929	1.9
65.03955	1.4
67.05503	17.1
68.99800	1.2
69.03432	15.0
69.07078	11.5
70.06589	1.9
70.40382	3.9
71.04986	2.4
73.02912	3.4
75.04508	1.4
79.05501	16.1
81.03424	9.0
81.07060	100.0
83.04974	1.1
83.08605	1.9
84.06292	1.0
85.02905	36.1
85.06532	1.3
85.63254	1.0
86.09697	1.3
87.00835	18.5
91.05474	13.6
91.91457	1.2
93.07053	20.9
95.04968	3.7
95.08609	45.1
97.02901	15.7
97.06526	2.0
97.10167	4.6
98.97598	7.0
99.04464	4.2
103.05465	1.4
105.01865	35.1
105.07030	32.7
107.04983	1.4
107.08598	26.0
109.02888	7.7
109.06523	2.3
109.10162	18.3
110.97599	1.3
111.08058	1.6
111.11723	4.4
113.05986	2.4
116.98633	1.2
117.03367	2.7
117.07006	1.5
119.04932	1.3
119.08586	51.7
121.06518	3.5
121.10139	15.9
123.08098	2.8
123.11712	27.1
124.41229	1.1
127.03927	27.4
128.98659	1.4
129.01851	1.3
129.07013	1.1
131.08566	3.3
132.98085	1.8
133.10132	26.9
135.08037	4.0
135.11682	17.6
136.12439	1.5
137.05974	1.6
137.13327	1.3
139.07558	2.4
142.07841	1.4
143.08559	1.9
145.02872	5.8
145.04965	15.5
145.10127	4.1
147.08061	2.6
147.11690	13.0
149.06013	1.9
150.99147	2.0
151.07541	3.1
153.09103	5.2
157.10135	3.9
158.99776	1.1
159.02936	3.3
159.11725	7.9
161.09612	3.9
161.13261	38.2
163.07529	1.2
163.14944	1.3
169.10130	1.3
170.99620	2.5
171.08124	1.2
171.11559	1.2
173.13307	1.7
174.99069	1.2
175.11201	2.6
177.05495	9.5
179.10767	2.0
186.99124	1.5
187.14873	2.2
189.03860	1.3
189.16391	65.6
193.12328	1.2
199.14807	3.6
201.05428	1.5
211.11253	1.3
213.03978	1.4
217.15884	16.0
231.04990	8.9
235.16930	41.0
247.17099	2.0
249.06068	10.7
252.19675	1.9
259.16888	1.4
284.09753	2.1
323.03757	1.3
325.10782	3.4
325.18021	2.2
342.13336	6.6
343.19110	1.4
351.08652	2.9
361.19986	4.1
361.35617	1.2
392.99832	2.5
403.20987	1.4
411.00931	4.6
447.20148	3.4
465.21402	2.3
518.17780	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	516.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05545	1.3
56.96570	7.8
58.75569	0.8
61.81202	0.7
67.05539	1.6
69.07115	2.0
71.51825	1.3
71.71161	0.6
74.21764	0.7
81.07111	2.0
83.08660	1.3
93.07089	0.9
95.08689	2.0
102.92581	3.6
104.10824	2.3
118.92062	5.6
121.10266	0.8
126.92942	0.8
128.98679	0.8
136.93118	27.9
150.15941	0.7
150.65002	0.8
154.94173	43.4
155.03844	0.7
161.29839	0.6
161.96208	0.9
172.95244	41.3
177.95802	4.1
179.98477	11.4
190.96275	8.8
190.97838	0.7
192.95911	2.7
195.96819	5.6
197.98421	11.7
198.00053	0.8
198.96960	0.7
210.96758	14.0
212.98387	1.3
213.97865	1.4
215.99434	3.5
221.00157	1.0
228.97856	20.6
233.98531	2.9
246.98999	1.5
251.99597	2.1
252.12538	0.7
306.27762	0.7
317.18069	1.8
319.19446	15.8
333.91025	1.6
335.18887	1.2
337.20511	16.9
337.27115	1.4
350.23782	2.0
360.22009	3.9
362.23761	4.2
398.17676	1.1
399.16098	1.8
421.29764	0.9
424.19452	1.0
442.20325	2.3
455.18707	23.3
457.23309	0.9
460.21252	9.2
473.19846	100.0
474.20038	1.2
481.58118	0.7
496.21329	13.8
516.24268	35.2
516.32062	1.7
538.75787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3375
Annotation	11-Ketofusidic acid
Peak:m/z	Relative Intensity
55.05506	1.7
57.03447	0.8
57.07074	0.7
59.61346	0.4
60.45447	0.4
60.85650	0.5
63.04324	0.5
67.05511	2.5
69.03435	0.5
69.07072	2.4
70.51301	1.1
70.51631	0.4
73.12331	0.4
79.05488	1.7
81.07063	5.1
83.05018	2.4
83.08646	0.7
85.06536	0.7
91.05476	2.2
91.32394	0.4
93.07052	5.7
95.04967	1.3
95.08616	7.8
97.06525	0.9
105.07044	6.9
107.08606	7.5
109.06534	0.7
109.10155	4.4
111.08117	0.6
117.07022	0.7
119.08588	7.3
121.06540	0.4
121.10159	6.2
123.08073	0.6
123.11730	2.9
131.08569	3.7
132.70976	0.4
133.10146	5.8
135.08051	1.1
135.11700	6.1
137.09625	0.8
137.13243	1.2
139.11209	0.8
143.08533	1.4
144.09286	0.4
145.10127	3.3
147.11713	5.1
149.09627	1.0
149.13249	2.1
151.11098	0.6
153.12761	0.5
157.10156	4.3
159.10458	0.8
159.11697	10.3
161.09615	1.8
161.13275	3.9
163.07536	0.8
163.14838	0.5
164.29161	0.4
168.09401	0.7
169.10132	0.7
171.08037	0.6
171.11691	5.0
173.09743	1.0
173.13275	19.5
175.11188	0.9
175.14850	5.2
177.12785	0.6
177.16377	2.5
181.10175	0.7
183.11705	2.0
185.09552	0.5
185.13271	1.5
187.11186	0.5
187.14870	1.1
189.12927	0.5
189.16420	6.6
191.17955	0.8
195.11710	1.3
197.13251	1.8
199.11154	3.0
199.14854	1.7
201.12769	3.1
205.12167	0.6
207.17380	0.8
211.14825	1.5
213.12782	2.2
213.16443	2.3
215.14297	1.1
217.15947	1.9
219.13751	1.4
223.14809	0.9
225.16389	0.6
227.17926	2.5
229.15892	1.1
233.11813	0.7
233.15416	5.1
235.16925	3.0
237.16423	1.8
239.17943	0.9
241.15804	2.7
247.13295	0.9
251.17950	0.7
255.17508	2.2
261.14978	0.9
269.19110	0.7
275.16525	0.6
275.20059	1.4
287.19928	0.7
297.18579	0.7
301.17807	1.1
315.19562	2.5
329.21375	0.6
349.21631	0.5
358.16418	0.5
373.28738	0.5
391.30005	1.7
407.62680	0.5
409.31003	4.0
427.32010	1.1
451.31903	1.3
455.31598	12.4
469.33200	33.0
470.33325	0.5
479.31372	0.5
487.26151	0.6
497.32755	0.7
515.26135	70.4
515.33643	100.0
516.26654	1.3
516.33813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3375
Annotation	Globostellatic acid G
Peak:m/z	Relative Intensity
53.03935	3.7
53.10169	2.7
55.05510	6.6
58.74328	2.6
65.03958	2.4
67.05502	14.5
69.03423	4.5
69.07067	8.1
69.84721	12.1
79.05509	12.9
81.07056	35.1
91.05491	12.2
93.07050	27.5
95.04988	2.9
95.08618	43.5
97.06537	6.0
97.10165	2.7
99.08127	2.7
105.07042	42.8
107.08599	37.9
109.06526	3.0
109.10165	26.1
111.08098	3.5
117.07017	6.0
119.08587	38.4
121.10139	33.9
123.08051	4.9
123.11710	8.7
125.09634	9.5
129.06999	6.0
131.08554	33.5
132.54353	2.4
133.10126	37.3
135.07980	3.1
135.11700	24.4
141.07050	2.6
142.07762	3.9
143.08588	18.2
144.09320	5.4
145.10130	39.1
147.11699	28.9
149.09621	3.9
149.13257	9.8
155.08604	3.8
156.09390	3.5
157.10162	25.1
158.10918	5.9
159.10468	4.8
159.11710	57.6
161.13271	40.9
163.07535	4.5
163.11140	3.1
163.14793	9.4
169.10109	12.6
171.11694	43.1
173.13278	100.0
175.14845	14.4
177.12764	3.9
179.14197	3.1
183.11674	7.4
185.13257	49.6
187.14832	77.2
189.12737	5.5
189.16385	10.5
191.14325	10.6
197.13246	11.4
199.14851	23.2
201.16409	25.0
203.14293	7.3
205.15849	12.3
207.13806	6.4
211.14879	7.6
213.16379	20.0
215.14362	2.7
215.17966	7.3
217.15891	10.4
219.13884	9.2
219.17415	6.4
221.15257	12.9
223.14908	4.5
225.16454	4.5
227.18025	4.9
231.13737	8.3
231.17403	6.0
233.15424	34.2
233.18887	6.5
235.16995	3.9
237.16292	3.4
239.17873	3.7
241.19592	2.8
245.15302	16.6
247.16954	30.8
251.17802	5.2
257.15363	2.7
259.16959	8.4
273.18484	5.3
291.15988	3.9
327.23196	7.1
359.38391	2.6
359.67184	5.0
373.28918	9.1
379.29825	2.7
391.30029	40.0
393.31720	6.0
409.30966	8.8
419.29449	6.6
433.31097	18.1
437.30640	12.2
439.32120	4.6
451.32224	43.3
455.31833	3.7
467.31671	4.1
469.33606	15.1
479.31711	21.6
497.32718	14.4
515.33679	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3369
Annotation	11-Epifusidic acid
Peak:m/z	Relative Intensity
55.05497	1.5
63.99720	0.4
65.53429	0.5
66.64217	0.5
67.05489	1.8
69.07059	3.2
69.52341	1.1
69.52746	3.1
77.49504	0.4
79.05482	2.1
81.06594	0.7
81.07056	8.7
83.04975	0.9
83.08620	1.0
91.05448	2.4
92.11490	0.5
93.07036	5.2
95.08612	4.1
97.06547	0.8
101.90690	0.5
105.06307	0.9
105.07027	15.6
107.08595	8.5
109.06542	2.6
109.10181	3.1
111.08069	0.7
117.07001	1.3
119.08579	11.5
121.06490	1.0
121.10140	6.7
123.08064	1.9
123.11684	1.9
129.07005	1.2
131.08560	5.0
133.06523	0.7
133.10124	7.0
135.08078	1.0
135.11696	2.1
137.09602	0.8
141.38475	0.6
143.08536	3.7
145.10123	6.9
147.08057	0.8
147.11685	6.8
148.34280	0.5
149.09612	2.3
149.13275	2.0
151.11128	0.8
155.08502	0.9
156.09389	0.9
157.10120	2.6
159.11703	4.7
161.09604	0.8
161.13254	37.1
163.11169	15.3
163.14833	3.4
169.10167	1.1
171.11688	6.1
173.13234	5.2
175.11198	0.7
175.14848	2.3
177.12799	1.2
177.16348	1.2
179.14311	2.3
183.11685	1.5
185.13272	8.0
187.14819	13.1
189.12744	44.7
191.14296	1.8
193.15910	0.8
197.13242	1.8
199.14825	2.2
201.16380	1.6
203.14307	2.6
205.15874	24.2
207.13789	10.0
208.42513	0.5
211.14845	1.3
213.16393	2.6
217.12323	1.5
219.17534	1.3
225.16307	1.1
227.17964	0.6
231.13844	1.9
231.17415	1.0
235.13268	8.6
239.17963	2.6
241.19646	1.0
253.19582	1.8
257.19101	0.9
262.87531	0.6
283.20435	0.5
299.20486	0.6
323.23877	0.8
354.00278	0.5
369.24277	1.5
387.25253	16.4
391.29941	10.1
393.31668	1.7
400.59503	0.5
409.31003	66.7
410.31326	1.0
437.30508	6.5
455.31558	100.0
456.31723	0.8
469.33112	35.3
480.71655	0.6
496.34442	0.8
515.33679	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	515.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05508	18.0
55.97704	1.9
57.03431	8.7
57.07074	3.1
61.02926	5.0
65.03944	2.8
67.05506	77.8
69.03422	5.8
69.07063	16.0
70.91798	4.4
71.04979	3.7
71.08637	1.8
73.02911	2.8
77.03892	2.0
79.05497	47.3
81.03397	6.0
81.07056	100.0
83.04960	3.3
83.08631	11.1
85.02889	5.1
85.06549	2.8
91.03953	2.4
91.05489	32.2
93.07044	62.8
95.04957	6.4
95.08609	67.1
97.02878	5.0
97.06525	5.0
97.10178	3.9
99.08102	4.5
105.07033	23.1
107.08601	36.6
109.06496	5.3
109.10159	38.4
111.11707	2.8
117.07031	11.3
119.08578	20.5
121.06459	2.4
121.10143	29.2
123.08073	3.0
123.11705	20.4
125.09579	2.5
129.06987	2.6
131.07724	2.2
131.08580	19.9
133.10127	18.3
135.08055	3.8
135.11700	27.4
137.09604	2.8
137.13248	6.4
143.08557	3.1
145.10115	18.6
147.11681	12.9
149.09616	2.3
149.13254	22.2
151.11133	2.2
159.11679	21.2
161.13257	13.3
163.11148	3.4
163.14832	16.0
171.10214	1.9
171.11685	2.2
173.13243	17.2
175.14775	5.4
177.12773	2.5
177.16382	6.8
179.14204	2.6
185.13237	2.0
187.14798	11.3
191.14162	2.2
201.16412	6.8
205.15831	3.3
215.17967	3.7
233.22626	3.1
243.21088	27.4
258.97055	1.9
261.22134	86.0
279.23193	6.8
301.21484	2.6
303.23257	3.5
317.24619	2.5
335.25790	26.7
345.24292	4.3
353.26843	23.7
369.24210	6.3
387.25323	2.9
409.30939	5.9
461.28625	3.0
469.33051	2.2
479.29877	2.4
497.30972	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.0
55.05517	25.5
56.96544	9.3
57.03425	13.2
57.07087	4.9
59.27835	4.4
61.02923	8.0
61.60000	4.3
65.03922	5.7
67.05178	7.4
67.05509	89.8
69.03432	24.0
69.07079	31.6
69.33737	34.0
71.46524	4.4
73.02911	8.9
79.05499	56.0
81.03423	6.1
81.07063	100.0
83.04975	6.0
83.08617	11.3
85.02909	11.2
91.03989	6.7
91.05474	37.0
93.07050	68.3
95.04943	7.5
95.08614	85.7
97.02889	9.9
97.06532	8.3
98.97588	14.0
105.07039	32.6
107.08610	43.2
109.06514	13.1
109.10162	28.7
116.98635	5.5
117.07028	16.7
119.08582	28.1
121.10155	34.0
123.11696	13.9
125.09636	5.5
129.07004	9.2
131.00191	12.8
131.08559	28.3
133.10110	26.5
133.67534	4.3
135.11696	30.4
143.03407	8.4
143.08568	10.5
145.10092	22.6
147.11705	19.1
149.01233	14.4
149.13255	16.9
157.10147	8.4
158.99628	5.1
159.11687	17.8
161.13278	16.6
163.14795	9.8
171.11621	5.3
173.13271	15.8
177.16318	6.4
177.90836	5.0
185.13313	5.7
187.14842	7.4
199.14807	6.7
243.21049	26.2
261.22192	59.9
277.13797	10.8
301.21570	6.2
303.23267	8.5
309.16791	4.7
335.25861	9.8
345.24384	6.0
353.27158	22.3
358.16479	86.4
358.66614	24.5
359.16556	10.1
369.24298	10.2
378.67548	6.8
387.25418	6.4
405.26236	10.3
436.25244	5.4
437.29013	5.9
461.28574	7.3
479.30029	8.1
497.30954	15.6
515.32465	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87356	0.6
70.69361	1.5
79.18089	0.6
95.08568	0.8
97.72547	0.6
158.31395	0.6
203.05296	1.0
257.45587	0.7
276.13205	0.6
330.12753	0.6
383.89838	0.9
424.84680	0.6
515.31915	100.0
516.32483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.07063	0.5
58.80461	0.2
67.05506	1.0
69.07064	1.0
71.01367	0.2
71.52906	0.3
72.45213	0.2
73.02905	0.4
79.05482	0.4
81.07057	1.0
83.08620	0.6
85.02895	0.9
93.07065	0.4
95.08595	1.2
96.76025	0.2
97.02888	0.3
97.10152	0.4
103.03969	0.2
107.08610	0.5
109.10184	0.3
113.02325	0.5
115.03690	0.4
121.10151	0.5
131.03445	0.2
135.11757	0.4
141.01830	0.5
215.05637	0.3
265.25311	0.7
339.25421	0.2
339.28848	1.2
453.49985	0.2
514.51587	0.2
515.31934	100.0
516.32336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.3
55.05502	8.1
57.03423	3.1
57.07070	1.8
61.02931	3.6
67.05508	33.4
69.03427	2.7
69.07080	8.8
69.37051	14.4
71.04990	2.4
79.05505	22.7
81.03419	3.6
81.07063	42.7
83.04995	3.5
83.08605	4.8
85.02892	3.6
91.05487	15.7
93.07046	28.2
95.04958	3.7
95.08614	35.4
97.02868	4.9
97.06523	3.0
97.10134	2.1
99.08086	2.7
105.07057	13.2
107.08591	22.6
109.06505	3.7
109.10151	16.9
110.04299	1.8
111.08100	2.9
117.07016	3.7
119.08573	19.6
121.10143	19.9
122.36396	1.6
123.11698	8.2
126.22177	1.8
131.08574	13.0
133.10103	13.5
135.11707	15.2
137.09576	2.3
137.13214	4.0
143.08633	3.2
145.10101	9.9
147.11678	5.8
149.09656	2.8
149.13268	9.9
153.12776	1.9
157.10159	3.1
159.11697	19.0
161.09666	2.3
161.13243	5.4
163.14865	3.4
171.11673	7.9
173.06990	1.6
173.13286	25.0
175.14851	7.8
177.12802	2.4
177.16344	3.8
183.11670	3.8
185.13268	4.2
187.14777	3.3
189.16405	6.9
195.11780	2.2
197.13354	2.3
199.14688	2.3
201.12700	4.3
213.12695	3.9
216.71591	2.1
217.15944	2.7
227.14313	1.9
233.15425	6.5
235.17009	3.9
243.21133	9.7
255.17584	3.4
257.15277	2.2
261.22202	26.4
275.20175	1.9
294.06592	1.9
303.23010	2.2
315.19696	2.6
335.25839	9.0
353.26904	10.6
358.66577	2.1
369.24350	3.3
387.25278	3.1
405.26666	2.4
409.30750	3.8
419.27975	4.2
442.75677	1.8
443.27832	3.4
455.31595	12.4
461.29602	2.5
469.33179	35.2
479.29935	2.9
497.31018	5.1
515.26129	58.2
515.33582	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.75370	0.3
55.01876	0.6
55.05512	0.7
55.19073	0.3
57.03434	0.5
66.03127	0.4
68.38758	0.3
69.03432	3.0
69.07046	0.3
69.71590	1.3
69.71999	0.8
70.06593	5.1
71.04991	0.7
72.08157	10.4
73.02924	0.5
81.03422	3.6
84.04518	0.4
84.08141	1.1
85.02438	0.6
85.02908	8.3
86.06068	1.2
86.09700	2.1
87.00838	2.8
87.04460	0.6
89.03925	5.5
90.09203	2.3
91.05463	0.5
95.04966	0.8
97.02888	2.4
97.06532	0.8
98.06021	0.4
99.04449	1.7
103.05441	0.5
104.07111	1.5
105.01878	3.2
106.04176	0.5
107.04968	0.9
109.02889	4.8
110.07146	0.7
110.74272	0.3
115.11838	0.3
116.07085	0.5
117.03387	14.8
120.08159	0.7
121.06496	0.7
123.04424	0.6
127.02985	0.4
127.03921	8.0
127.07558	2.3
129.01819	0.4
129.10245	0.6
131.04910	0.4
134.03630	1.3
135.04424	5.7
136.07532	0.5
137.05972	0.4
144.94142	0.3
145.02850	45.2
145.04939	4.1
146.03322	0.3
147.02919	0.6
149.05989	5.5
151.07501	0.6
155.07002	0.8
159.02937	2.2
162.03174	2.4
163.03912	41.7
167.07054	0.8
177.05475	100.0
178.05786	0.7
181.08609	0.4
183.06509	1.5
189.03799	0.4
197.12915	0.5
209.08095	3.1
213.03941	0.5
219.06458	0.4
223.04245	0.5
231.04921	3.8
247.05913	0.6
249.05963	0.6
266.10483	1.1
266.13879	30.6
274.27768	0.3
300.35184	0.3
306.38812	0.3
311.09131	0.7
330.16513	0.5
336.56354	0.4
514.15955	1.5
514.25525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01853	0.8
55.05508	0.8
57.03439	0.4
59.97699	0.4
61.02902	0.9
64.22009	0.4
67.99555	0.4
69.03435	3.1
69.70973	2.4
70.06263	0.5
70.06596	6.1
71.05009	0.5
72.07755	0.7
72.08161	11.8
72.08546	0.4
73.02888	0.8
76.88523	0.5
78.43660	0.4
81.03426	2.8
84.04530	0.8
84.08130	1.3
85.02913	7.5
86.06075	0.9
86.09715	2.4
87.00838	2.4
87.04476	0.5
89.03907	4.4
90.09186	1.7
91.05473	1.1
95.04996	0.8
97.02908	2.3
97.06529	0.4
99.04462	1.2
104.07088	1.3
105.01878	2.3
106.04175	0.5
107.04974	0.9
109.02888	3.7
110.07170	0.7
116.07104	0.7
117.03388	14.3
117.79728	0.4
120.08101	0.7
122.68201	0.4
123.04436	0.6
127.03925	6.6
127.07565	2.8
129.10245	1.2
129.52132	0.4
131.04903	0.6
134.03665	0.9
135.04414	5.2
136.00294	0.4
136.07602	0.6
137.05952	1.2
145.02855	46.6
145.04948	3.8
147.02869	0.5
149.06001	5.0
151.07570	0.6
155.07024	1.2
159.02899	2.0
161.05882	0.6
162.03212	2.2
163.03912	34.6
167.47211	0.4
177.05479	100.0
178.91425	0.4
181.08521	0.7
183.06523	1.3
186.05490	0.5
209.08040	3.2
213.03949	0.8
231.04930	3.0
243.06522	0.5
245.11430	0.7
249.05995	0.7
266.10443	1.2
266.13889	32.7
311.08810	0.5
411.09579	0.6
514.17230	1.0
514.26904	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.9
58.36806	0.5
61.02927	0.8
66.32671	0.5
69.03439	7.7
70.06603	6.8
71.01359	5.7
71.50996	0.7
72.08163	1.8
73.02914	5.0
75.04460	0.8
81.03388	0.6
84.04510	1.1
84.08119	0.8
85.02909	8.8
86.09692	0.6
87.00854	0.7
87.04475	20.6
89.03919	0.8
95.01338	1.8
95.04977	1.8
97.02898	1.7
101.02386	2.8
103.03951	1.3
104.07124	1.8
108.04491	1.3
109.02872	0.5
110.07184	3.2
113.02356	3.8
113.48999	0.5
115.18041	0.6
116.07080	1.2
121.50738	0.5
127.03931	1.2
129.10226	0.7
131.03404	1.3
135.04399	1.6
135.06801	0.8
137.05994	1.0
141.01855	5.9
143.07054	2.3
145.02853	1.7
145.04909	0.6
148.07614	1.6
153.10304	0.6
159.02933	1.9
163.03902	8.7
169.09741	0.6
176.07065	0.8
177.05496	4.1
177.08922	0.7
178.05002	24.2
190.05049	0.8
202.08821	0.6
204.06679	0.8
213.11253	0.7
218.08134	1.0
246.07639	38.1
264.08771	5.9
266.10229	0.7
266.13782	0.8
330.52783	0.6
338.12344	20.0
380.13672	1.1
385.16675	0.6
514.15601	100.0
515.16083	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3217
Annotation	3,11-Diketofusidic acid
Peak:m/z	Relative Intensity
55.05527	1.4
55.17495	0.6
62.99029	0.5
67.05499	2.6
69.07074	1.2
69.46939	2.9
69.47347	1.6
72.88438	0.6
79.05485	1.8
81.07066	5.4
82.01375	0.6
83.04979	2.3
83.08624	1.0
85.06535	0.6
91.05471	2.0
93.07049	4.9
93.85108	0.6
95.04969	1.0
95.08622	4.8
97.06525	0.7
98.20840	1.5
105.07026	7.9
107.08592	7.2
108.74081	0.6
109.06509	1.1
109.10155	3.6
117.07073	0.7
119.08588	9.5
121.06502	1.1
121.10148	8.7
123.08093	1.9
123.11703	1.9
125.09618	0.7
131.08557	5.7
133.10123	6.8
135.08041	1.7
135.11690	2.7
137.09647	1.1
138.50323	0.6
143.08606	2.0
145.10141	8.0
147.11688	8.8
149.09622	1.5
149.13264	2.5
151.11211	0.7
155.08565	0.9
157.10143	4.9
159.08119	0.8
159.11700	13.9
161.09618	1.5
161.13268	7.8
163.07655	0.7
163.11200	2.6
163.14948	1.5
165.12773	0.7
169.10187	1.1
171.11708	5.7
173.09645	2.4
173.13269	38.7
175.11243	1.0
175.14828	3.1
177.12776	1.5
177.16379	0.8
181.10153	1.2
183.11723	3.0
185.13252	1.4
187.14827	5.7
189.16394	1.3
191.14301	1.5
193.15852	1.2
195.11641	1.6
197.13243	2.0
199.11218	2.3
199.14728	0.9
201.12749	5.9
205.15887	7.3
207.13853	0.6
207.17506	0.8
209.13333	0.8
211.14893	1.7
212.63449	0.7
213.12738	2.1
213.16449	1.3
215.14294	1.4
219.13869	2.5
219.62201	0.6
223.14680	0.6
225.16315	0.8
227.17966	1.9
229.15956	2.1
233.11778	1.1
233.15369	10.8
237.16481	2.0
241.15845	1.1
247.13443	1.0
254.48909	0.6
255.17476	2.9
261.14832	1.1
269.19061	0.7
273.18484	3.5
301.18134	0.9
315.19772	1.8
359.17120	1.3
389.28323	2.0
407.29492	13.4
409.38043	0.7
425.30432	2.4
435.29193	1.0
449.30084	1.0
453.29999	28.7
467.31604	65.0
468.31494	0.9
478.75470	0.7
495.30850	1.4
506.82233	0.7
511.97348	0.8
513.32098	100.0
514.32440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1385
Annotation	Indocarbazostatin D
Peak:m/z	Relative Intensity
55.01846	0.7
56.05027	1.0
56.96562	5.5
61.98055	0.6
67.05499	0.8
69.07055	0.6
70.06596	10.9
71.51686	0.9
72.08157	4.0
73.08504	0.7
81.03401	0.6
84.04489	2.4
84.08143	5.4
84.96051	0.8
85.02892	2.7
85.08483	1.1
86.09701	5.8
89.03895	0.7
91.05489	1.0
97.02876	1.2
98.97577	6.5
101.02575	0.6
102.05542	0.7
105.07049	0.8
110.07151	2.2
110.97590	0.8
112.99136	2.3
115.08714	0.8
115.95551	0.5
116.07082	1.2
116.98634	1.9
117.03388	1.0
119.08553	0.6
119.46958	0.6
120.08125	3.0
129.10291	1.3
131.00154	2.3
133.10147	0.7
136.07582	5.0
137.05946	0.7
138.56924	0.7
139.00699	1.9
140.34776	0.6
143.00174	1.0
145.02863	1.9
150.05486	0.8
157.01756	1.0
158.99644	2.7
163.03946	1.4
164.07101	4.6
173.01247	2.7
177.00725	1.1
177.05518	4.3
178.05830	1.3
178.13478	0.8
181.01787	0.8
191.02196	1.3
192.80956	0.7
193.05377	2.1
197.13028	0.8
205.05357	7.8
206.63815	0.7
211.06438	2.1
219.01762	2.5
221.04852	2.1
223.06453	15.7
225.04370	1.4
228.13545	0.7
237.02844	2.5
241.07397	3.9
247.06343	5.1
264.62119	0.6
265.07474	17.6
265.10336	1.2
266.17474	0.6
283.08521	17.4
288.08981	1.0
307.08551	1.7
321.10086	1.3
349.09564	2.7
356.13452	2.6
367.10666	23.0
409.06778	1.1
409.11697	11.1
427.12537	4.3
469.13870	42.2
513.13629	100.0
513.19720	5.4
514.14294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3043
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
71.43437	0.5
71.52040	0.5
71.81634	0.4
72.08171	0.5
81.07037	0.7
88.02256	0.5
95.08622	1.0
95.12827	0.5
95.48525	0.4
109.02850	0.4
112.92816	0.5
119.08572	0.5
159.11758	1.4
183.11836	0.5
203.05339	0.9
208.21123	0.4
219.13863	0.7
229.12570	0.5
229.15730	0.4
251.70160	0.5
256.26343	0.9
283.26379	0.6
390.10684	0.5
449.30496	0.9
512.50269	0.8
513.30347	100.0
514.30585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60994	2.1
53.03946	4.5
55.01876	5.2
55.05518	25.2
57.03431	25.0
57.07079	9.7
61.02932	3.4
63.51676	2.5
64.41537	2.0
65.03941	3.0
67.05509	89.3
69.03423	8.5
69.07074	29.0
69.92718	11.2
71.01355	25.6
71.05003	3.8
71.08649	6.5
73.02921	21.0
79.05495	27.6
81.07065	100.0
83.05019	3.6
83.08624	21.9
85.02909	40.7
85.06545	4.6
86.09689	2.4
86.71677	2.2
91.05489	25.7
91.35020	2.4
93.07049	30.2
95.01340	10.1
95.04987	3.7
95.08616	75.3
97.02914	22.6
97.06522	7.8
97.07195	2.1
97.10171	13.1
99.00843	4.2
99.04477	3.0
99.08103	2.8
101.02367	4.8
103.03934	9.6
104.10727	3.3
104.55702	2.1
105.07016	16.7
107.05024	2.1
107.08602	18.1
109.10153	39.5
111.08131	5.5
111.11733	6.2
113.02366	24.2
113.09692	2.6
119.08585	19.0
121.10158	23.2
123.08110	2.6
123.11729	14.7
124.60716	2.7
125.09668	2.4
131.03438	6.8
131.08575	5.9
133.10127	14.6
135.11700	14.3
137.13275	9.9
141.01794	23.4
145.10089	3.7
147.11678	13.6
149.13287	11.2
151.14787	4.2
153.12791	2.6
159.02936	7.1
159.06555	5.3
161.13316	11.8
163.14850	6.3
165.16397	3.3
169.05063	3.6
175.14821	7.8
179.17967	2.9
187.06075	3.7
189.16422	4.1
197.04382	2.8
215.05577	8.9
245.22745	15.4
256.26382	5.3
260.82629	2.4
261.22278	2.5
263.23703	42.7
287.23831	3.2
305.24854	7.6
325.50610	2.6
337.27377	60.3
337.31210	4.5
357.24249	3.0
365.26859	3.6
379.28491	6.7
411.44656	2.9
449.30115	3.8
495.29773	5.6
512.50281	4.7
513.30164	53.3
513.50708	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	511.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22612	0.9
50.81287	1.0
52.16571	1.1
55.05531	1.1
57.07056	1.9
60.40606	0.9
60.58983	0.9
64.22793	1.0
64.23906	1.2
67.05496	2.6
69.07072	1.8
71.08640	1.2
71.52437	1.4
81.07047	3.1
82.91349	1.2
83.08610	1.7
89.03829	1.0
89.06017	2.5
92.45316	1.0
93.07101	1.8
95.08607	3.4
97.01859	1.1
97.10163	1.0
107.08611	2.2
108.71656	1.2
117.48038	1.2
121.10175	1.8
124.12339	1.0
131.08510	1.3
133.08594	2.0
178.01143	1.0
191.18018	1.1
203.55244	1.1
277.89597	1.3
358.45407	1.1
507.42307	1.3
511.34021	100.0
513.02509	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.3
57.07080	11.2
57.41265	0.3
58.06610	1.4
58.99281	0.2
67.05512	1.8
69.07066	2.0
70.06596	9.9
71.08636	5.7
72.08139	0.3
73.02885	0.8
81.07050	2.3
83.08612	1.8
83.09036	0.4
84.08076	0.3
85.10182	3.3
88.07639	13.5
89.06002	0.7
93.06996	0.3
95.08616	2.6
97.06557	0.4
97.10139	0.9
102.09185	11.2
104.86620	0.3
106.08648	0.4
109.10122	0.9
123.11697	0.4
133.08557	0.3
167.10599	0.4
212.88441	0.3
214.71904	0.3
226.74847	0.3
228.23216	3.8
246.24263	0.3
256.26367	33.7
274.27350	2.7
283.26328	39.1
284.26489	0.3
311.29437	2.9
327.20078	0.6
512.50403	100.0
513.50873	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86462	0.9
53.03951	2.4
55.05511	8.1
57.03437	2.4
57.07081	63.9
58.94659	1.0
67.05182	1.6
67.05511	23.0
69.03435	12.8
69.07076	16.9
69.30624	8.3
71.04993	1.9
71.08636	55.2
79.05492	1.6
81.03419	10.7
81.06593	1.8
81.07062	32.2
83.08630	24.5
85.02912	24.9
85.06514	1.4
85.10190	30.7
86.09702	3.6
93.07005	1.6
95.08614	49.4
95.36079	1.1
97.02902	15.3
97.10172	12.7
99.04478	4.8
99.11732	2.9
104.10750	9.4
109.02882	9.3
109.09488	1.5
109.10170	23.7
111.11745	2.1
113.13290	1.0
123.11716	10.2
124.99989	3.1
125.13253	2.9
127.03935	22.8
129.05403	1.1
137.13261	4.7
145.04965	17.2
151.14787	2.4
165.16467	1.5
184.07358	7.3
221.22603	2.5
239.23714	60.1
257.24719	6.0
263.59894	1.3
313.27426	15.7
329.26740	4.8
331.28391	3.6
341.26828	2.5
381.77625	1.3
383.27914	40.1
401.29007	100.0
510.20682	2.5
510.35019	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	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.5
55.01869	4.3
55.05514	21.6
57.03445	20.9
57.03695	3.3
57.07069	5.5
59.15374	2.6
61.02918	2.7
65.03945	3.7
67.05511	91.5
69.03432	11.0
69.07070	17.3
69.82641	12.0
71.01363	23.2
71.04993	3.3
73.02923	20.5
73.36265	2.4
75.04499	2.8
79.05495	62.4
81.03421	4.4
81.07061	100.0
83.01376	2.7
83.04991	4.0
83.08607	10.4
85.02916	39.9
85.06552	4.1
86.09708	3.3
91.05482	33.8
93.07052	68.1
95.01340	11.5
95.04978	7.6
95.08612	75.1
97.02905	17.3
97.06557	4.4
97.10176	5.4
99.00806	4.7
99.04459	3.3
99.08131	3.8
101.02390	9.0
103.03951	7.7
104.10737	6.6
105.07054	26.7
107.08604	35.5
109.10165	32.1
111.08101	4.0
111.11803	2.1
113.02370	20.2
117.07024	14.2
119.08589	25.3
121.10147	38.7
121.10944	3.7
123.04418	3.1
123.11717	16.4
129.07007	4.3
131.03415	5.8
131.08556	19.2
133.10150	20.9
135.11702	24.3
137.09584	3.5
137.13268	3.6
137.41164	2.4
141.01825	21.8
143.08582	3.2
145.04982	3.7
145.10126	14.1
147.11705	18.6
149.13283	15.4
157.10196	3.2
159.02884	5.4
159.06535	4.0
159.11711	14.1
161.13303	12.2
163.03926	3.1
163.11215	2.2
163.14807	8.1
165.12788	2.8
165.47023	2.3
169.04941	6.9
171.11780	3.6
173.13220	13.1
175.14838	7.6
177.16385	2.5
179.14284	2.3
183.11740	2.9
185.13237	3.2
187.06032	3.3
187.14807	7.1
201.16422	3.6
210.29260	2.6
211.14772	2.5
215.05550	9.1
243.21080	10.2
261.22122	44.8
279.23315	3.7
285.22034	3.2
303.23209	7.5
317.25122	3.2
333.24353	2.3
335.25815	42.4
355.22849	3.9
377.27136	4.4
383.22354	2.6
431.28159	2.6
465.29651	3.0
475.26675	4.1
493.28116	7.7
511.28333	39.2
511.35181	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	510.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
56.58511	0.8
70.56519	2.2
72.08160	43.7
93.07047	1.2
103.05441	1.7
112.24599	0.8
115.09496	0.8
120.08109	100.0
134.34190	0.7
167.09714	0.7
171.14929	9.5
174.12788	2.4
199.14438	6.7
219.14932	26.2
247.14421	14.8
267.14987	11.8
295.14407	10.8
301.19110	3.9
321.19785	1.6
346.17340	1.5
346.21283	21.0
349.19113	3.3
394.21323	21.3
448.25677	1.5
465.28543	8.5
469.18530	1.1
493.28085	6.5
510.33633	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3546
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05508	1.1
56.05027	1.1
57.03422	0.9
57.07075	5.8
58.06585	1.5
59.07375	0.3
59.64956	0.3
60.08164	15.9
66.82849	0.3
67.05502	2.3
69.07067	1.7
70.06616	0.3
71.07372	6.7
71.08638	4.9
79.05476	0.4
81.07059	2.7
83.08635	1.5
83.09058	0.3
83.26785	0.4
85.10181	1.9
85.34011	0.3
86.09705	46.8
93.07016	0.5
95.08601	3.3
97.10156	0.7
98.21530	0.8
98.98460	4.5
104.10741	100.0
109.10170	1.2
118.23608	0.3
123.11649	0.4
125.00004	26.8
155.01129	0.3
163.01530	0.9
184.07339	92.1
239.23747	2.0
257.24838	0.4
258.11038	0.9
279.22833	0.3
313.27374	8.3
327.28946	1.7
331.28461	1.1
338.27652	2.3
492.34595	8.1
510.35559	39.8
511.35962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2125
Annotation	erythro-Canabisine H
Peak:m/z	Relative Intensity
53.03945	1.8
65.03925	0.9
67.05481	0.7
69.03469	0.9
69.57033	2.5
69.57460	3.0
70.06590	1.9
75.41219	0.8
76.62391	0.7
77.03937	1.4
84.08169	0.9
86.09704	1.2
89.03912	5.4
91.05479	16.9
93.07043	12.0
95.04965	2.8
103.05470	9.6
103.98461	0.9
105.04520	2.0
105.07030	1.6
107.04975	2.7
110.07166	0.9
115.05434	1.1
117.03380	18.1
117.04170	1.6
119.04957	10.7
120.05647	1.3
121.06509	60.5
122.03647	1.0
126.11540	0.9
130.04158	1.3
131.04958	1.7
133.02887	6.8
133.06531	1.0
134.03636	1.1
134.06018	3.5
135.04459	1.4
136.05061	1.0
136.07571	2.7
137.05992	15.2
143.04880	1.1
145.02849	52.7
145.06425	1.8
147.04414	10.7
149.04886	1.6
149.05974	9.0
150.06750	1.7
151.07536	2.4
158.03688	1.5
160.05171	1.1
161.05966	2.1
162.05441	0.9
162.06758	1.5
163.04008	1.1
164.07135	2.1
173.06018	3.2
175.03917	4.7
177.05478	100.0
179.07036	3.2
180.07994	1.2
186.03239	1.1
186.05525	1.8
189.05577	1.5
192.06566	9.3
201.05482	41.0
213.05499	3.2
231.06438	1.2
233.05916	1.5
234.06705	1.3
237.09248	1.3
261.05600	1.0
262.06293	1.3
262.50250	0.9
276.08038	0.9
277.08652	1.2
295.69797	0.8
305.08081	2.1
307.09589	1.8
312.12299	32.2
314.13913	10.6
325.10757	9.9
337.10739	4.9
338.13925	2.2
355.11761	17.2
356.14975	1.3
383.48773	1.0
462.19141	19.3
474.19016	1.6
492.20258	15.0
510.21060	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	510.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01868	4.5
55.74679	1.2
65.03940	4.3
67.05515	1.9
69.03445	2.0
69.25925	1.1
70.06602	13.8
70.86149	1.4
70.86475	2.0
72.08158	9.1
73.01795	1.2
73.10194	1.2
74.72021	1.1
75.04477	2.2
78.04726	1.9
79.05502	5.0
81.07051	1.6
83.39187	1.1
84.04488	2.7
84.08145	5.1
85.02895	4.5
86.09716	9.1
89.03912	2.3
91.05489	40.0
93.03421	9.5
93.07058	6.0
95.04964	3.5
98.97586	1.4
102.05528	2.8
103.05478	10.2
105.03398	7.0
105.07057	6.4
106.04175	20.0
107.04952	8.8
109.02883	1.3
109.06557	6.6
110.07204	2.2
115.05466	1.8
117.03380	3.8
117.07014	1.7
118.04160	1.4
118.98012	1.3
119.04955	41.0
119.05801	2.6
119.08544	2.1
120.08119	7.5
121.06519	21.2
123.04421	3.4
123.08081	3.8
124.05211	2.0
125.06002	6.8
129.07051	2.1
129.10265	4.7
131.04921	10.5
132.05739	5.7
133.02870	2.2
133.06509	6.1
134.03642	3.4
135.04416	3.0
135.08069	2.0
136.07520	1.3
137.05992	9.3
139.07498	1.7
145.02867	6.9
147.04428	12.6
147.08058	3.0
148.05182	4.3
149.05994	39.1
150.75333	1.3
151.03990	2.0
151.07550	20.4
153.05458	2.8
153.09106	6.6
159.08040	5.1
160.05199	2.8
161.06004	28.4
162.01341	1.2
162.06758	6.0
163.03914	4.1
163.07582	5.2
164.07071	1.7
165.05508	3.3
166.08759	1.2
167.07057	48.0
175.07550	14.1
176.04472	1.3
177.05481	29.6
178.05785	1.6
179.07054	21.7
180.07785	7.0
181.08595	18.1
182.09421	1.9
187.07529	13.3
190.06253	3.9
191.07034	20.3
191.08611	1.9
192.07826	9.7
193.08633	1.8
205.08621	41.2
209.08104	100.0
210.08891	2.0
217.08612	3.6
223.04262	8.5
235.09598	13.8
249.09085	1.6
281.11783	1.4
290.40359	1.3
309.11221	1.3
339.12320	3.6
341.13947	1.9
348.08035	2.1
348.12631	1.6
353.13922	1.5
359.14920	3.2
371.15039	5.9
387.19440	1.1
391.03384	2.4
441.09351	1.3
447.43588	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.8
56.70093	2.4
57.07079	16.3
65.03941	3.3
67.05511	31.9
69.03437	7.7
69.07072	58.4
69.47404	19.7
70.06590	12.0
71.08615	4.5
72.08162	3.2
79.05480	9.8
79.63947	2.6
81.07059	96.4
83.08621	38.2
84.08138	8.1
85.02901	17.5
85.06539	8.2
85.10201	3.3
86.09718	10.6
88.41918	3.1
89.03945	3.0
91.05488	9.7
92.77505	2.6
93.07034	27.2
95.08611	100.0
97.02896	6.6
97.10173	22.6
98.21542	4.3
99.08105	6.6
105.07050	6.4
107.08594	26.7
109.10157	65.0
111.04461	3.4
111.08092	7.4
111.11728	24.7
113.09648	3.9
117.03377	7.6
119.08576	5.9
120.08170	4.8
121.06493	7.1
121.10181	18.7
123.11716	40.8
125.13271	15.9
127.03916	4.3
129.10228	2.9
131.08464	3.1
133.10109	3.7
135.08011	2.9
135.11703	9.3
137.06027	6.0
137.13254	33.6
139.11160	2.7
139.14842	5.4
145.02840	15.4
145.04948	4.1
145.10103	3.1
146.78563	3.0
149.05963	4.5
149.13266	43.8
151.14859	12.0
155.14305	4.9
159.11699	4.2
163.14836	9.4
165.09129	38.7
165.16426	11.8
167.07054	5.8
167.14348	18.5
169.15866	4.9
170.34720	2.6
177.05479	28.5
177.16360	4.6
179.17947	6.3
181.05060	3.2
193.19456	2.9
210.15056	2.5
219.21082	6.8
228.28992	3.1
229.78914	2.7
249.25824	4.5
251.89159	3.0
275.27350	20.8
293.28412	60.9
311.29501	16.0
385.43665	2.7
419.32175	2.7
509.13217	5.2
509.20392	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	509.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.9
56.05026	0.4
57.05834	1.1
60.66492	0.5
69.84479	2.2
72.08160	87.7
81.53198	0.5
91.05486	8.5
91.06029	0.8
93.07043	0.8
96.09001	0.4
96.68282	0.4
100.07665	0.7
103.05463	2.8
107.05048	0.6
109.06550	0.5
113.76019	0.4
119.04951	6.8
120.08111	97.1
126.12806	0.7
130.80421	0.5
136.07582	100.0
137.07939	0.6
143.48438	0.4
146.06004	0.8
157.24797	0.4
171.14926	12.6
174.12778	4.1
190.12289	1.8
199.14413	9.7
212.66911	0.5
219.12759	0.8
219.14943	26.2
235.14410	10.4
238.12244	3.4
247.14429	27.6
263.13940	11.5
273.19559	1.6
283.14426	17.5
301.19156	4.0
311.13916	22.9
311.16623	0.3
317.18521	3.1
337.19144	1.1
346.21274	12.6
362.20706	6.2
365.18637	4.2
410.20782	16.6
464.25381	2.0
481.28195	3.1
509.27542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.05269	1.1
55.05511	13.1
55.79882	0.7
57.03439	8.1
57.07063	2.4
57.11989	0.7
65.03919	1.3
67.05500	26.9
69.07070	15.3
69.52468	4.2
71.08607	1.0
78.97933	0.8
79.05482	8.2
81.07053	28.6
81.07533	1.4
83.04988	1.1
83.08611	6.3
85.06508	0.7
91.05486	3.9
93.07043	6.9
95.08607	21.5
97.06526	1.4
97.10192	3.9
98.20817	1.6
98.98464	22.2
105.07024	4.3
107.08597	3.9
109.10174	7.3
111.08046	1.2
119.08582	4.0
121.10146	3.3
123.11709	2.5
127.59486	0.7
133.10123	3.0
135.11636	1.9
135.32558	0.7
137.13219	1.5
147.11661	1.3
155.01054	4.1
161.13240	1.6
163.14828	1.2
173.02103	4.0
175.14828	0.8
229.04799	0.7
245.19904	0.7
245.22641	1.2
247.05823	0.8
248.16550	0.7
263.23782	1.5
337.27356	100.0
473.26675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.8
55.05516	0.8
67.05523	1.1
67.59495	0.7
69.07060	2.4
79.05489	1.0
81.07062	2.2
91.05493	2.5
93.07050	1.6
95.08601	2.6
98.20786	1.3
101.00906	0.9
105.03401	2.0
105.07040	1.0
107.08584	1.1
109.10162	1.3
117.03369	0.9
119.01965	1.5
119.08577	1.0
137.05966	1.4
145.02875	2.0
151.07561	1.1
158.20984	0.7
161.02951	1.3
177.05460	4.3
177.09009	0.7
177.72446	0.8
179.07080	0.8
192.08752	0.8
203.05356	2.0
227.05351	1.7
243.04716	4.3
243.17366	1.3
245.06334	4.4
245.18677	0.9
261.18250	5.2
271.04221	1.3
287.03757	36.3
289.05313	39.1
293.28189	0.8
423.23645	1.6
424.20999	0.7
447.23419	2.3
465.24734	13.3
491.15347	1.0
491.22549	24.4
509.23645	100.0
519.22955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65802	0.6
51.83694	0.6
51.95361	0.6
55.05505	1.3
67.05492	2.4
69.07071	0.8
69.96559	2.9
70.06589	0.9
72.08148	1.2
73.10854	0.6
81.07053	2.7
83.08630	1.2
84.08123	1.1
87.31523	0.7
91.05495	2.2
91.51289	0.7
93.07043	1.8
95.08608	2.5
96.03868	0.7
101.00892	1.6
105.07035	2.0
107.08601	1.7
109.10172	1.9
116.98694	0.7
117.03362	1.0
118.46571	0.6
119.01928	2.9
119.08568	1.1
121.06520	1.1
121.10120	1.6
123.11716	1.2
137.06013	1.1
137.13240	0.7
143.01886	2.9
145.02870	2.8
145.10110	1.0
157.03450	1.1
161.02979	2.9
162.06792	1.0
175.04448	1.1
177.05487	5.4
178.05840	2.1
187.00929	2.4
201.03729	0.8
203.05392	1.5
205.01987	0.7
227.05257	1.2
229.01962	1.9
243.04865	4.4
245.06311	5.7
261.18292	5.4
271.04294	0.9
281.09341	0.7
287.03760	35.9
289.05319	48.5
324.09393	0.8
342.10349	0.7
356.30017	0.9
423.23685	1.3
465.24680	9.2
491.22519	1.2
509.23624	100.0
510.23553	1.0
512.27570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05511	0.8
57.69315	0.2
59.04992	0.2
63.02388	0.5
67.05513	2.4
69.03430	1.3
69.22993	0.5
69.23418	1.1
70.06594	1.7
71.92159	0.2
72.08171	0.4
75.04485	0.2
78.04727	0.3
79.05499	1.9
81.03422	0.6
81.07069	2.6
83.04982	0.3
84.08149	0.7
85.02918	0.6
85.06565	0.2
86.09706	1.0
87.04474	0.3
89.03924	7.3
90.43784	0.2
91.05475	1.2
93.07042	0.8
93.93147	0.2
95.04973	0.5
95.08612	5.6
97.02893	1.3
97.06534	0.7
98.97586	0.2
99.04472	0.2
101.06004	0.2
103.05461	0.3
105.03349	0.2
105.04557	0.2
105.07047	0.6
106.04174	0.4
107.04984	0.6
109.02877	0.2
109.06557	0.2
110.07152	0.2
111.04449	0.4
117.03387	20.9
119.04903	0.4
119.08632	0.3
120.08154	0.4
121.06435	0.4
121.10127	0.3
123.08084	2.8
125.02343	0.3
125.09631	0.2
127.03926	0.2
129.05481	0.5
129.10280	0.2
133.06528	0.3
133.10106	0.2
134.03653	1.7
135.04431	1.4
136.07634	0.3
137.05995	1.0
141.09126	0.7
145.02856	46.8
145.10089	0.2
147.04419	0.3
147.06467	0.2
149.05994	6.8
158.06046	0.4
158.79065	0.2
163.03944	1.5
167.07021	0.3
175.06078	1.5
175.07411	0.3
177.05479	100.0
178.05823	0.5
186.05516	1.2
221.16525	0.2
223.32906	0.2
263.52231	0.2
317.13773	0.4
325.10492	0.2
347.07449	0.3
509.14075	0.4
527.84283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
53.68950	0.2
55.01865	0.4
55.05509	0.6
56.96581	0.2
58.25865	0.2
59.04996	0.3
60.04516	0.2
63.02380	0.4
67.05516	2.2
69.03436	1.2
69.07079	0.3
70.06585	1.0
71.05018	0.2
71.51846	0.2
72.08157	0.4
76.19728	0.2
78.04693	0.3
79.05492	2.0
81.03415	0.9
81.07064	2.7
83.08634	0.2
84.08139	0.5
85.02915	0.7
86.09708	1.3
87.04469	0.3
89.03918	8.2
91.05499	1.1
93.07047	1.0
95.04971	0.6
95.08607	5.4
97.02903	1.1
97.03441	0.2
97.06535	0.8
99.04463	0.3
101.06021	0.3
103.05489	0.5
105.07015	0.8
105.07686	0.2
105.51338	0.2
106.04167	0.7
107.04956	0.6
107.08624	0.3
109.06496	0.2
110.07141	0.3
111.04453	0.7
117.03385	21.5
117.07054	0.3
119.04948	0.4
119.08590	0.3
119.56632	0.2
120.08107	0.5
121.06499	0.5
121.10149	0.2
123.08079	2.6
124.05207	0.2
125.02370	0.5
129.05481	0.5
129.10287	0.2
133.06476	0.2
134.03638	1.7
135.04445	1.4
136.07573	0.3
137.05984	0.8
141.09105	0.5
141.57722	0.2
145.02852	47.9
146.03198	0.4
147.06548	0.2
149.05991	7.6
151.03854	0.2
151.07506	0.3
157.04994	0.2
158.06024	0.2
163.03880	1.8
165.09093	0.3
167.07056	0.5
175.06007	1.7
177.05475	100.0
178.05814	0.9
186.05482	1.1
245.64813	0.2
315.14499	0.3
317.13718	0.6
325.10718	0.3
509.13901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2019
Annotation	Clemastanin A
Peak:m/z	Relative Intensity
52.71049	0.9
53.03941	1.1
55.01861	1.1
55.05511	1.1
56.05022	2.3
56.96547	1.4
60.04514	1.3
62.01591	0.9
62.98446	0.8
65.03935	3.3
67.05502	1.9
69.03425	2.3
69.07048	0.8
69.60833	4.7
70.06591	15.3
71.04978	0.8
72.08172	5.3
74.06070	0.9
79.05499	1.4
81.03416	1.5
81.07042	2.5
83.06096	1.2
84.04504	3.0
84.08134	7.9
85.02900	6.8
86.09707	10.4
87.10030	1.1
88.03985	2.4
89.03931	1.5
91.05477	5.8
93.03416	4.6
93.07025	1.6
94.04195	1.2
95.04968	1.9
95.08609	2.0
95.37749	0.8
97.02898	1.9
98.97587	5.8
99.08094	1.9
101.07154	1.1
103.05464	12.2
105.07049	1.6
107.04945	2.7
109.06530	3.0
109.40978	0.8
110.07181	2.2
110.97582	1.1
111.04428	5.6
112.08741	1.0
115.05497	1.0
117.03360	2.7
117.07029	8.7
119.04939	2.2
120.08107	10.2
121.06503	2.0
122.03643	3.5
125.06018	5.6
127.03896	1.0
129.10249	3.4
130.06467	1.9
131.04930	30.5
132.10188	0.9
136.07581	3.7
137.05977	79.5
138.06360	1.7
141.05524	1.3
145.02840	5.9
145.06497	15.7
147.04439	1.2
149.05948	2.0
151.03909	41.5
151.05022	4.4
151.07564	1.5
153.05467	12.7
158.99669	4.2
160.05161	1.1
161.05972	1.8
162.06670	1.0
163.03909	2.0
163.07541	7.2
167.07059	1.6
172.05150	1.0
173.05995	1.6
175.07523	3.4
177.00739	1.7
177.04033	1.3
177.05487	11.4
177.09097	6.0
178.05856	1.3
179.06969	1.3
181.05014	1.0
187.07527	7.2
191.07065	1.3
191.08588	5.7
205.06735	1.0
205.08591	16.4
207.08179	0.9
214.95264	1.1
218.07967	1.0
219.01773	1.6
219.08052	12.0
220.08813	1.3
223.09648	1.4
229.07503	1.0
233.14879	1.0
235.07388	1.1
235.10812	2.5
236.08336	1.4
237.02896	1.4
247.07535	10.5
247.12865	1.2
251.10652	5.0
256.96329	1.1
261.09274	1.1
263.10309	1.8
264.07809	2.2
265.08456	1.3
274.97379	1.5
279.10129	12.2
280.10727	1.3
281.07651	1.0
287.05615	1.9
293.11490	0.8
299.09177	3.7
299.12524	1.0
304.99084	0.8
309.13754	1.0
311.12781	14.2
315.05148	1.0
316.98593	1.4
329.13834	100.0
330.13922	1.1
332.05325	1.2
347.08014	4.1
347.11151	1.4
347.14868	19.2
367.13806	1.1
367.70297	0.9
491.19376	0.9
509.13449	18.0
509.21198	1.1
527.14508	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	39.9
62.95943	2.3
68.02271	2.5
69.03422	3.0
70.06606	13.9
71.95254	5.0
72.08157	11.0
74.06077	2.8
80.53598	2.6
84.04514	7.1
84.08164	5.0
85.02904	6.1
86.09697	2.9
87.10078	2.7
89.23964	2.8
90.73281	3.3
94.21090	2.5
97.02913	3.8
97.96812	51.5
98.97588	64.8
110.07193	7.1
110.97604	6.1
115.08691	3.3
115.97855	18.6
116.98630	30.4
119.04931	3.4
120.08124	5.5
128.98615	9.6
129.10304	3.3
133.98912	3.2
134.99637	6.4
137.05960	13.2
143.00159	5.1
147.04413	5.5
158.99747	2.7
160.99161	6.6
161.01247	4.6
162.64366	2.6
163.07539	3.9
177.05377	3.2
179.00198	16.2
180.01187	2.7
190.76118	2.5
192.00899	2.6
193.01866	5.2
193.98888	21.0
197.01274	16.3
198.01942	3.1
206.99638	4.8
208.00461	11.0
209.01173	4.9
210.02014	7.5
210.37024	2.6
211.02769	8.5
211.99945	48.3
213.04399	3.5
219.01814	4.0
220.00467	3.4
222.02046	7.4
223.02744	14.7
225.00700	10.6
226.01472	35.8
227.02284	21.3
230.01068	12.4
234.02031	39.6
235.02783	34.7
237.02759	5.4
238.01546	11.2
240.03136	3.6
241.03891	29.6
244.02586	7.9
245.03281	11.0
249.04375	24.7
252.03082	25.1
253.03804	31.7
255.01649	3.8
256.02563	4.4
259.04916	6.4
261.04532	7.8
267.02557	4.5
267.05402	42.9
271.04962	9.1
279.05463	28.4
297.06677	14.2
312.09610	3.4
317.09235	4.2
329.12225	8.5
334.08105	2.8
340.06201	3.0
345.06461	4.4
347.13159	5.6
353.07031	5.6
356.05722	12.2
368.05792	16.2
371.08066	30.1
383.08099	23.6
386.06699	12.3
389.09085	15.5
401.09070	47.9
405.62790	3.1
413.09158	5.0
419.10172	60.6
431.10056	9.9
437.10968	7.4
449.11185	56.7
454.50491	3.1
467.12311	100.0
490.13818	4.4
509.06204	3.1
509.13181	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1291
Annotation	Myricetin 7,4'-dimethyl ether 3-galactoside
Peak:m/z	Relative Intensity
54.54837	0.2
55.01859	0.3
55.05500	0.3
56.05018	0.7
61.02918	0.3
68.99784	1.9
69.03434	0.3
70.06593	3.3
71.52345	0.3
72.08164	2.0
74.06071	0.9
79.05450	0.3
81.03484	0.3
81.17742	0.2
84.04494	1.1
84.08131	1.0
85.02910	0.7
86.06049	0.3
86.09713	2.2
86.70229	0.3
91.05463	1.0
93.46876	0.2
97.02873	0.4
102.57944	0.3
110.07149	1.1
115.08727	0.4
117.03353	0.3
120.08117	1.7
121.06545	0.3
123.04450	0.3
127.00257	0.3
129.10185	0.4
133.02856	0.7
135.04453	0.4
136.07596	0.6
137.05992	0.7
139.00261	1.2
145.02885	0.4
147.04427	3.4
147.07608	0.3
149.02321	0.5
149.05939	0.3
150.03120	3.3
151.03902	2.0
153.01839	0.8
161.05937	0.5
163.03900	0.7
164.04706	3.4
165.01846	2.3
166.99733	3.4
167.07024	0.4
168.00545	4.9
169.01337	2.3
177.05531	0.8
182.02139	1.5
183.02907	3.7
185.00815	5.8
186.01631	1.9
213.05362	0.4
216.04198	0.5
229.04994	0.3
230.05733	0.7
232.03658	0.8
233.04468	1.0
241.05106	0.4
244.03673	2.2
257.04544	0.4
258.05273	0.7
259.05945	1.7
261.03967	0.8
271.02548	0.6
272.03152	1.0
275.42471	0.3
277.07007	0.3
286.04684	1.0
287.05484	4.3
289.03421	1.0
296.03085	0.7
299.01840	0.8
300.02780	0.6
313.03378	0.7
314.04205	15.5
315.04974	0.6
317.02930	8.7
332.05264	14.7
347.07611	100.0
348.07922	1.1
491.25723	0.4
509.14426	1.0
509.21115	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23281	0.2
52.88491	0.2
53.97902	0.2
55.05514	0.5
56.05035	0.6
57.03444	0.2
58.06374	0.2
58.06628	0.5
60.08165	5.6
67.05524	1.0
69.07063	0.8
69.85760	0.6
69.86171	0.3
71.07372	3.2
72.08146	0.2
79.05493	0.5
81.07059	0.6
83.08609	0.3
86.09708	29.0
91.05493	0.2
93.07047	0.7
95.08607	0.7
98.21413	0.2
98.98473	3.1
104.10752	3.0
104.13165	0.2
107.08612	0.3
109.10193	0.2
119.08575	0.3
121.10094	0.2
125.00006	19.9
154.52246	0.2
166.02672	0.2
184.07343	100.0
185.07695	0.2
301.20096	0.3
314.73987	0.2
325.27219	0.3
336.26151	1.1
353.55118	0.2
393.93732	0.2
406.27847	0.2
490.32993	1.3
508.33975	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	508.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18738	3.4
55.05516	41.3
57.03431	8.8
57.07063	14.3
60.08148	6.2
61.02922	7.2
67.05508	55.7
69.07069	58.2
69.60819	22.7
71.07359	5.2
71.08629	9.7
74.33113	3.2
79.05498	20.0
81.07059	63.5
83.08620	39.4
83.30559	4.0
84.35177	3.3
85.02930	5.9
85.06536	5.2
86.09716	24.1
88.53635	3.9
93.07044	33.9
95.08619	49.9
97.02920	3.3
97.06531	10.0
97.10179	34.2
98.98457	11.6
104.10739	41.4
107.08602	25.0
108.08985	4.6
109.10162	25.6
110.10516	3.5
111.08093	5.5
111.11722	8.7
115.07569	4.9
119.08539	5.8
121.10154	50.1
123.11685	20.2
124.99992	13.7
135.11702	39.8
137.13254	7.1
139.11154	5.5
146.33780	3.7
149.13240	13.9
152.07008	4.2
163.14813	7.2
173.36385	3.4
175.31099	3.4
184.07370	58.7
203.06314	4.3
219.21078	54.4
237.22113	93.9
255.23305	26.2
262.72992	3.5
311.25790	100.0
329.26846	39.2
336.26086	30.6
490.33380	4.7
508.34100	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66386	3.0
55.05531	15.7
57.03441	4.7
57.07068	7.4
61.99355	2.7
62.06091	30.1
67.05499	9.9
69.07061	21.3
69.93327	13.9
71.08623	6.3
79.05485	3.4
81.07056	16.0
83.08624	16.3
84.07183	2.6
84.41509	3.0
93.07036	10.4
95.08635	17.9
96.43458	3.1
97.10172	9.7
98.98476	11.1
108.90127	3.1
109.10177	9.6
112.05054	3.1
115.69166	3.0
121.10144	4.3
123.11731	5.3
137.75737	3.4
144.06813	2.8
148.53229	3.0
155.01050	4.5
168.45770	2.8
182.20628	3.3
185.47012	2.9
216.06300	4.8
293.28522	3.9
299.34094	3.1
336.32559	11.8
367.32071	100.0
382.47693	2.9
447.28384	4.0
490.32831	5.7
490.95129	3.3
508.27188	10.8
508.33737	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	508.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01870	5.2
55.05506	11.3
57.03438	6.6
61.02908	4.2
65.55843	2.4
66.93992	2.7
67.05507	20.4
69.03417	11.3
69.07069	16.7
70.06599	20.9
71.04980	8.3
71.52065	2.4
72.08144	6.1
79.05486	14.6
81.03416	5.3
81.07061	46.8
83.04976	9.6
83.08608	9.7
84.04506	3.4
84.08129	11.5
85.02907	14.1
85.06084	4.5
85.06549	56.7
86.09720	22.3
89.03931	3.2
91.05478	22.6
93.07045	69.9
95.04959	9.1
95.08614	48.4
97.02902	8.6
97.06524	25.1
97.10149	3.5
99.04456	4.4
99.08083	7.9
101.06004	5.1
102.10400	2.5
103.05441	3.4
105.01855	2.8
105.07028	25.7
107.04951	3.6
107.08601	31.0
109.02863	2.8
109.06526	13.9
109.10168	22.2
109.78424	3.2
111.08069	33.7
115.05457	4.9
117.03357	7.8
117.07011	7.9
117.26990	2.7
119.04900	3.5
119.08575	26.7
119.68056	2.7
120.08113	8.1
121.06514	36.5
121.10146	35.1
123.04368	4.0
123.08073	11.8
123.11716	6.7
125.05976	10.8
125.09632	7.2
127.03875	6.0
129.05502	4.1
129.10262	5.6
131.08537	10.8
133.02788	3.1
133.06444	3.4
133.10146	18.7
135.08026	13.3
135.11687	13.2
136.07527	3.0
137.05991	13.4
137.09619	13.4
139.07530	47.3
141.05457	3.5
141.09088	6.2
143.07016	6.4
143.08549	3.5
145.02859	20.1
145.04898	2.5
145.06537	2.7
145.10127	15.2
147.08044	6.2
147.11685	10.7
149.06023	4.8
149.09602	13.4
149.13275	48.5
151.03906	5.5
151.07510	9.9
153.09085	6.4
155.07185	3.7
155.08582	3.3
155.10641	8.8
157.08617	74.4
157.10086	10.5
157.13469	2.8
159.07991	3.7
159.11684	35.1
161.05986	20.0
161.09628	8.8
161.13268	6.6
163.11169	7.2
164.07085	2.8
165.09070	9.3
167.07028	10.8
167.14336	34.4
169.10095	3.4
171.11719	3.0
173.06010	5.5
173.09573	3.9
173.11819	3.9
173.13234	9.7
175.11147	6.6
175.14777	4.6
177.05489	30.6
177.12778	15.9
178.05821	3.1
179.10716	4.7
179.79817	3.2
181.04984	3.9
183.10074	2.8
184.45676	2.9
187.14832	5.4
189.12712	3.9
191.07063	3.0
191.14409	3.4
193.08586	3.2
195.13826	17.4
197.13229	4.9
201.12698	8.8
205.15881	6.5
207.13712	4.6
211.14902	4.3
213.14799	7.4
215.14336	11.6
219.13800	33.0
221.08099	2.8
225.14856	7.4
229.15875	10.4
230.12167	3.1
231.17740	3.1
233.15285	14.1
237.14864	40.5
239.14372	3.7
247.16965	12.2
249.18564	9.1
251.16484	16.1
255.15926	66.5
257.15442	14.5
265.18002	5.6
266.18298	2.9
275.16415	46.6
293.17490	100.0
311.14966	3.7
311.18542	72.5
327.12256	5.0
329.19632	9.2
341.10336	4.5
428.24323	3.3
508.19260	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	508.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67887	1.7
53.03931	3.4
55.01869	2.7
55.05512	6.0
56.96567	2.0
57.03427	2.7
57.68851	1.6
64.86135	1.9
67.05498	8.8
68.28475	1.8
69.03433	10.2
69.07066	7.4
70.06583	8.8
71.04975	4.0
71.51989	2.2
72.08151	4.5
77.03897	2.1
79.05491	22.3
81.03408	6.5
81.07045	9.2
83.08627	2.8
84.04462	1.9
84.08132	6.1
85.02901	14.3
86.09714	4.6
87.00816	3.4
89.03929	2.5
91.05483	48.7
93.06491	2.7
93.07048	31.1
95.04964	5.5
95.08599	7.1
97.02885	7.0
97.06540	3.4
99.04430	2.2
99.79057	2.1
103.05479	4.0
105.01850	6.9
105.07035	45.7
107.05013	4.7
107.08575	6.7
109.02879	5.3
109.06494	2.5
109.10177	6.4
117.03352	3.0
117.07011	3.6
119.04947	3.4
119.08577	20.8
120.08080	5.0
121.06505	23.7
121.10136	3.3
123.08064	2.6
123.11732	4.3
124.47659	1.9
127.03883	6.2
129.06953	2.3
129.10219	2.8
131.08595	13.1
133.02872	2.2
133.06502	3.1
133.10135	100.0
135.07994	1.9
135.11703	3.1
137.06012	12.4
139.07530	6.6
141.06752	1.8
145.02870	17.5
145.04970	3.9
145.10117	4.1
147.04448	3.0
147.11700	92.9
149.05928	5.3
149.13284	3.0
151.03882	13.9
151.07510	3.2
151.11153	6.7
153.05447	6.2
153.09109	27.8
159.03003	2.1
159.11623	2.8
161.06026	2.7
165.09100	13.8
165.12856	2.4
166.09467	5.0
167.07069	4.7
172.35246	2.3
173.05951	2.3
175.11205	22.9
177.03986	2.3
177.05466	26.9
178.05986	2.3
181.04927	3.4
181.08521	2.9
193.12248	2.9
201.05432	6.6
205.12119	4.3
206.12573	2.9
207.13815	75.3
225.14862	25.4
234.06758	2.2
235.07637	5.1
243.15874	7.0
249.05443	2.6
263.07025	5.1
265.08392	2.8
275.53076	2.3
291.06516	3.6
292.26880	2.7
293.08295	2.0
295.09659	5.6
308.06824	2.1
311.09338	3.3
312.12170	3.0
321.07428	2.4
323.09167	18.1
325.10611	2.1
331.68588	2.1
337.10794	2.3
341.10034	10.4
353.10193	6.4
371.11267	6.1
405.15323	2.4
419.17075	5.3
423.16693	2.7
437.18121	8.9
478.18533	5.5
508.19412	7.1
508.34323	2.7
530.73578	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
52.84781	0.8
53.03939	4.0
55.01862	1.5
55.05514	1.8
65.03934	1.0
67.05499	1.1
69.22933	5.5
70.06587	2.0
77.03926	1.4
79.05499	3.7
81.03415	1.6
81.07043	0.9
83.08633	0.9
84.08118	1.4
86.09706	1.5
89.03938	2.5
89.91056	0.9
91.05484	20.2
93.03434	1.1
93.07052	20.0
93.07642	1.3
95.04964	4.7
95.08562	0.9
97.02876	0.9
98.20748	1.0
100.11260	1.1
101.62265	0.8
103.05473	26.0
104.06244	3.7
105.03410	1.8
105.04538	2.1
105.07043	6.4
106.04211	1.5
106.84077	0.8
107.04950	10.0
107.08667	1.0
109.06512	0.9
115.05465	3.3
117.03380	3.0
118.04173	2.0
119.04942	4.3
120.05754	2.7
120.08144	1.1
121.06511	100.0
123.04393	1.3
130.04132	1.0
131.04933	22.9
132.05719	23.5
133.02853	6.5
133.06493	5.2
134.03697	0.9
135.04422	3.2
136.07596	1.7
137.05974	2.9
143.04855	1.8
145.02827	4.2
146.03665	2.2
147.04411	4.4
148.05186	4.0
149.06024	7.0
150.05539	1.5
150.06778	1.0
151.03920	1.6
151.07536	2.3
153.05415	1.3
154.06197	2.0
157.04060	1.3
159.04451	4.6
160.05171	11.3
161.02371	2.4
161.05997	13.1
162.05553	1.1
162.06787	2.2
163.03893	13.3
163.07526	4.3
164.04752	1.3
164.06998	1.2
165.05501	6.1
167.07057	22.5
171.04430	1.1
173.06013	1.0
175.03806	1.0
175.07520	1.0
176.04706	2.5
177.05473	17.9
177.06898	1.6
178.04936	8.4
178.06126	0.9
179.07043	10.8
180.07814	20.2
181.04984	1.6
181.08641	2.6
182.09424	6.2
182.15413	1.2
187.03926	24.6
189.62419	1.1
191.07043	21.9
192.07826	67.3
193.04985	0.9
193.08597	7.3
199.03955	5.3
201.05496	1.3
204.06691	0.9
205.06624	1.1
206.07372	0.9
207.06473	4.3
208.07339	1.2
209.08141	4.2
210.08870	6.3
214.01341	0.8
217.05014	3.1
221.06015	1.7
222.06804	1.0
233.05998	2.1
234.06741	2.0
235.07631	1.5
237.05521	1.0
247.07469	1.6
248.04820	1.0
249.05484	1.5
250.06296	1.2
261.05518	1.3
262.06403	1.3
263.07025	3.2
265.08679	1.8
275.07019	1.0
279.06601	1.9
289.04968	1.1
293.08142	1.7
295.06076	0.9
295.09464	1.2
298.10748	25.0
303.06558	1.5
308.06796	1.2
309.07672	1.3
311.09225	1.3
321.07608	18.1
321.11237	1.4
322.08316	1.3
323.09216	2.0
324.12439	4.4
335.09039	0.9
338.40207	1.0
341.10159	6.1
353.10196	26.0
371.11276	37.0
461.81558	0.8
478.18469	1.4
490.18542	2.1
508.19696	98.0
509.19940	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03946	3.2
53.55056	0.4
55.01847	0.9
55.05495	0.6
56.85011	0.4
70.06589	0.7
71.37505	0.6
71.79621	0.5
73.53295	0.5
77.03922	1.8
78.04716	1.0
79.05499	2.1
81.03415	0.9
81.07066	0.6
84.08147	0.6
85.02900	0.6
86.09676	0.7
89.03909	3.1
89.74896	0.5
90.04680	0.6
91.05480	14.5
93.07044	16.6
95.04975	3.6
95.08600	0.9
103.05468	23.7
104.06286	3.5
105.03395	2.2
105.04515	1.7
105.07036	2.5
106.04121	0.5
107.04952	5.2
115.05451	1.8
117.02595	0.3
117.03373	9.5
117.07040	0.7
118.04169	1.7
119.04943	2.7
120.05728	2.1
120.08112	0.7
121.06503	74.0
123.04421	0.8
130.04173	1.3
131.04929	26.0
132.05708	26.1
133.02835	6.0
133.06473	2.5
134.03676	1.2
135.04413	2.7
136.07610	0.9
137.05978	1.9
138.09113	1.0
140.04707	0.7
145.02838	16.9
145.06520	0.6
146.03654	1.4
147.04411	3.6
148.05190	3.0
149.02364	0.9
149.05978	6.7
150.05531	1.0
150.09164	0.7
151.07542	1.4
154.06273	1.0
159.04411	3.0
160.05193	14.4
161.02364	1.2
161.05980	4.7
162.05551	0.8
162.06808	2.0
163.03871	5.4
163.07561	5.3
164.04688	0.6
165.05482	3.2
167.07036	11.9
171.04472	0.7
173.02380	0.7
173.06050	1.3
175.07570	0.6
176.04730	2.1
177.05472	47.3
178.04950	2.8
178.06358	0.8
179.07016	7.5
180.07826	11.0
181.04988	1.2
181.08630	1.3
182.09401	1.5
187.03902	14.0
191.05722	0.5
191.07030	30.4
192.07809	100.0
193.08559	1.5
199.03899	2.0
201.05530	0.9
207.06505	5.7
208.07323	1.1
209.08092	1.3
210.08920	2.0
217.04970	2.5
222.06908	0.6
235.07689	0.6
251.06958	0.8
262.06183	0.7
263.07211	1.0
278.05701	0.9
280.07394	0.8
289.05225	0.6
291.06485	0.6
293.08151	0.8
295.09564	1.3
297.11145	0.5
298.10818	4.1
307.09766	0.6
309.07559	0.6
310.10767	0.6
315.12177	0.7
321.07709	3.0
323.09070	0.9
324.12299	4.9
325.10837	1.5
327.12256	0.5
341.10239	12.1
353.10172	16.5
368.00293	0.5
371.11261	19.5
478.18607	7.2
490.18753	0.6
508.19669	82.7
511.34802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05505	0.9
57.21821	0.3
64.85325	0.3
65.03935	0.4
67.05507	3.6
69.03423	0.5
69.07057	0.7
70.06589	0.6
71.04970	0.4
71.52324	0.4
71.92133	0.3
73.22485	0.2
79.05488	1.2
81.07064	3.3
83.04967	0.9
85.02929	0.4
85.06522	0.4
86.09714	0.3
91.05477	1.3
91.65008	0.3
93.07030	1.7
95.04958	0.7
95.08604	4.1
103.05450	0.5
105.03378	0.9
105.07042	1.2
107.04927	0.3
107.08588	1.2
109.06539	0.6
109.10165	6.6
111.08096	0.4
113.09653	0.3
117.57487	0.3
119.08600	3.4
120.08070	0.4
121.06522	1.0
121.10149	1.1
122.07304	2.1
123.08096	0.6
123.11722	2.8
127.08126	0.3
129.09074	0.3
130.93503	0.2
131.04886	0.3
133.06493	0.3
133.10135	0.4
135.11642	0.6
137.06046	1.2
137.09622	11.2
139.30234	0.3
145.02841	0.7
145.10107	0.5
147.11694	0.7
149.09618	0.9
149.13226	0.4
150.61804	0.2
151.07533	0.6
157.08592	0.5
159.11691	0.7
161.13217	0.5
163.14807	0.4
163.70859	0.2
165.09119	100.0
166.09572	0.6
167.07089	0.5
167.08817	0.3
169.08707	0.3
175.07513	0.4
175.11177	0.3
177.05461	1.3
177.09102	0.3
181.04962	1.4
183.13843	0.3
191.10696	0.4
201.11227	0.5
203.10672	1.1
203.17961	0.3
205.12234	3.4
207.10150	0.3
221.15274	0.3
221.18918	0.4
223.13239	0.5
225.68715	0.3
227.11745	0.3
255.11540	0.4
259.09595	0.4
265.18106	0.3
267.19653	0.5
283.10037	0.3
287.20096	0.3
291.23236	0.7
305.10162	0.3
307.22675	0.3
315.19931	0.3
319.22641	0.5
337.23776	1.6
343.22244	0.3
376.66965	0.3
417.26862	0.3
443.31555	0.8
471.30783	0.8
484.86569	0.3
489.17844	0.5
489.31833	0.9
507.33347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.0
54.78775	1.7
55.05514	2.1
55.82533	1.6
56.94981	1.4
56.96556	1.9
67.05488	2.3
69.03438	6.2
70.06590	7.9
71.52409	3.2
72.08165	4.1
81.03425	3.6
81.07068	5.9
84.04548	1.5
84.08148	5.3
85.02913	12.8
86.03247	1.8
86.09701	7.6
86.40292	1.8
91.05504	8.4
93.07060	2.6
95.04966	2.2
95.08617	6.0
97.02890	5.5
102.70181	1.8
103.05451	2.1
105.07009	3.2
107.04961	3.0
107.08636	2.5
109.02842	2.1
109.06524	3.0
109.10183	2.9
111.38282	1.7
115.05471	2.7
117.03387	4.7
119.04942	3.9
120.08123	6.1
121.06514	12.0
122.03681	5.7
127.03929	3.8
129.10223	2.0
131.04962	3.3
133.02878	1.9
133.06505	2.7
135.04428	2.0
137.05983	76.9
145.02876	8.5
145.06514	9.6
146.03696	2.1
147.04396	2.4
149.06000	5.6
150.06784	2.7
151.03902	10.6
151.07570	2.5
153.05472	2.3
156.05815	1.8
158.03624	2.6
161.05994	5.3
162.05490	2.1
162.06752	2.9
165.09175	4.3
166.09456	2.2
167.07047	4.9
173.06041	6.3
175.03908	2.8
177.05475	13.2
178.05830	4.2
178.07642	1.7
181.05022	2.8
186.03157	4.5
188.07039	2.4
189.07018	4.3
201.05479	49.8
205.06567	4.5
206.07272	5.2
210.02162	2.0
213.05504	9.2
217.06602	3.3
218.07335	3.3
222.06683	2.6
227.02083	1.9
231.06531	3.8
233.05963	3.7
234.06752	19.1
235.07596	5.9
237.09157	2.3
245.06029	4.7
246.06717	2.7
247.07584	3.5
249.05557	2.1
249.09103	6.8
250.06354	4.1
251.06975	4.1
258.22919	2.0
259.07541	2.1
261.05429	3.4
262.06241	22.1
263.07104	5.3
264.02713	1.8
264.08008	2.4
265.08530	4.9
271.07443	2.2
273.05453	8.5
274.05981	3.3
276.07703	3.5
277.08615	24.2
279.06512	5.2
280.07272	1.9
283.09552	2.1
287.07166	2.4
289.04938	2.6
290.05771	29.7
291.06619	1.8
292.07401	3.8
293.08136	8.7
294.08853	2.3
295.09708	4.1
297.11093	2.2
304.07391	2.3
305.08072	48.9
307.09409	9.2
309.11209	2.8
319.09583	5.4
322.08252	5.0
325.10730	22.1
327.12247	4.2
337.10724	100.0
346.09772	2.3
355.11804	20.4
378.61435	2.4
379.11420	3.0
428.14694	1.9
459.64490	5.9
460.17542	7.6
469.64795	1.9
483.65518	3.3
484.14856	2.4
490.18671	37.9
508.19794	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	32.4
67.05493	63.7
69.07040	25.6
70.96336	75.2
71.05006	30.1
79.05489	26.1
81.07056	95.5
91.05512	27.8
93.07055	81.2
95.08604	100.0
96.46632	23.4
105.07041	95.4
107.08614	67.5
109.10170	91.6
113.49700	23.1
119.08559	53.7
121.10149	72.6
123.11696	38.5
126.58504	23.1
135.11624	33.7
145.10092	47.8
147.11702	45.6
149.13278	56.6
159.11700	48.5
161.13271	48.3
171.11739	39.1
199.14748	29.9
208.48546	24.8
215.18053	30.9
456.00861	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	507.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74195	0.3
55.01876	0.4
55.05507	1.3
57.07066	0.4
59.11416	0.3
65.03951	0.7
67.05502	4.3
69.03426	1.1
69.07061	1.4
69.56925	2.0
70.06596	0.7
72.08168	0.5
77.44778	0.3
79.05491	1.6
79.60880	0.3
81.03425	0.4
81.07063	5.3
82.04190	0.4
83.04958	0.7
83.08617	0.6
84.04487	0.4
84.08153	0.6
85.02908	0.8
85.06544	0.7
86.09731	0.8
91.05475	1.5
93.03428	0.4
93.07073	2.7
95.04974	0.7
95.08606	5.6
97.02924	0.4
97.06519	0.7
98.97584	0.4
103.05466	0.7
105.07031	1.2
107.04935	1.0
107.08597	2.3
109.02829	0.4
109.06489	0.8
109.10159	7.3
111.04461	0.5
111.08102	0.8
117.03390	0.5
119.04911	0.5
119.08590	4.4
120.08125	0.4
121.06485	1.7
121.10151	1.4
122.07297	1.6
123.04413	0.5
123.11719	4.0
127.03886	0.5
129.10210	0.4
131.04929	0.6
131.08566	0.5
133.06433	0.4
133.10126	0.7
135.11729	1.2
136.07578	0.5
137.05983	1.1
137.09631	12.1
137.13242	0.7
139.11197	0.5
145.02852	1.4
145.06480	0.4
145.10143	0.6
147.08043	0.4
147.11644	0.9
149.05952	0.4
149.09608	0.9
149.13263	0.7
151.07498	0.6
155.10686	0.6
157.08643	0.7
157.10007	0.4
158.99559	0.4
159.08026	0.5
159.11763	0.6
161.04257	0.4
161.05937	0.5
161.13269	0.4
164.07016	0.4
164.26199	0.4
165.09117	100.0
166.09427	0.6
167.07030	1.6
173.06047	0.4
175.07584	0.4
175.11229	0.5
177.05383	2.0
177.09079	0.5
181.04985	5.4
181.81766	0.4
189.08989	0.4
191.06960	0.8
191.10712	0.7
203.10712	1.3
203.17960	0.5
205.08606	0.5
205.12259	4.7
218.09393	0.5
221.08134	0.4
221.18965	0.5
223.13342	0.5
233.08057	3.2
245.15433	0.5
263.09244	0.7
267.15897	0.7
287.20056	0.5
291.23120	0.4
291.26865	0.4
319.22601	0.7
337.23740	1.0
345.09677	3.2
382.82446	0.3
426.58636	0.4
443.31622	0.9
445.63760	0.4
471.30615	0.9
489.17523	2.8
489.32077	1.1
501.00861	0.4
507.11902	0.8
507.29312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
58.06601	0.4
60.07888	0.4
60.08168	5.7
67.05495	1.2
69.07075	0.7
69.32858	2.6
71.07381	2.0
81.07051	1.1
86.09711	26.1
93.07061	0.5
95.08605	1.2
98.98476	2.6
104.10752	2.6
105.07011	0.5
107.08571	0.5
119.08571	0.7
125.00014	18.3
135.11655	0.5
184.07352	100.0
189.12767	0.6
215.70976	0.3
281.53922	0.4
334.25024	0.4
349.19159	0.3
358.16327	0.8
359.76022	0.4
411.32513	1.1
471.34644	0.9
488.31461	1.1
506.32358	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	506.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05510	2.7
57.07068	2.4
67.05508	11.5
69.07050	5.0
69.42929	13.5
71.04989	8.5
79.05505	16.3
81.07055	10.3
83.04962	3.6
83.08629	2.9
91.05478	17.8
93.07045	20.7
95.04955	5.4
95.08614	7.4
97.06501	2.5
98.21598	2.4
105.07037	17.1
107.04951	6.5
107.08594	14.1
109.06517	3.8
109.10139	4.3
114.56899	1.9
116.06180	2.1
117.07036	8.2
119.08584	11.0
121.06520	13.2
121.10153	14.6
123.11684	2.6
125.05981	2.5
129.07005	10.3
131.08565	91.0
133.10112	3.4
135.11678	3.7
145.10120	36.1
147.08052	5.1
147.11690	2.9
149.09621	43.4
149.13251	2.7
153.05479	3.4
155.08607	1.8
163.11160	15.7
163.71065	2.2
165.09106	3.1
167.10703	2.6
173.09665	6.1
179.10680	1.9
191.10687	45.1
209.11720	100.0
227.12804	5.9
245.22702	2.6
263.23859	5.1
401.40771	2.4
484.19653	2.4
505.43033	2.1
506.39075	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	506.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.24186	1.9
67.05494	2.1
70.06582	3.3
71.51746	2.0
71.52168	2.1
73.02891	2.9
76.75409	1.9
81.07052	3.2
85.02916	3.6
91.05483	16.5
93.07053	15.7
95.04961	3.1
95.08605	3.6
103.05465	15.2
105.07038	2.3
107.08656	2.7
115.05448	3.8
117.03358	2.0
117.07052	2.2
119.04929	3.2
121.06506	100.0
125.06010	2.5
131.04971	2.1
137.05968	14.6
138.09210	1.8
145.02899	3.2
145.06491	3.7
149.05925	2.8
160.05229	3.4
164.07033	18.7
173.05994	4.5
175.03932	3.8
175.07555	3.8
177.05441	7.1
177.06937	3.1
179.08578	2.1
186.03105	6.3
189.05391	2.2
192.60332	1.8
194.07220	2.6
201.05417	31.3
203.06883	2.5
205.06462	9.8
207.08054	3.4
220.05135	3.8
221.06049	5.2
222.06749	7.5
233.06020	12.5
234.06737	6.0
235.07507	11.5
237.05539	2.9
237.09149	16.6
244.06065	2.3
247.07518	2.6
248.04677	3.0
249.05486	5.4
250.06326	9.9
250.17787	1.9
251.07005	5.4
252.07822	2.5
263.07071	11.8
264.07806	7.1
265.04987	5.2
265.08612	25.9
267.06595	5.4
276.04211	4.5
277.04990	2.6
278.05737	5.5
280.07245	3.6
282.08783	5.3
283.09604	2.3
287.67242	1.9
291.06464	6.5
292.07343	11.8
293.04810	3.4
293.08060	18.8
295.06818	2.2
295.09671	12.8
297.11230	10.5
307.09647	26.4
308.06744	16.5
310.08362	3.1
319.06006	2.3
323.09125	48.4
325.10690	87.0
336.06305	3.7
339.08575	3.5
343.11792	8.4
351.08640	42.6
354.13290	4.0
364.11777	5.0
369.09689	2.6
386.83237	1.9
460.17429	7.7
462.18964	8.1
488.17023	12.2
506.18155	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2028
Annotation	Alangiside
Peak:m/z	Relative Intensity
63.02386	0.4
67.94236	0.2
69.03429	0.8
69.78514	0.8
70.06596	1.2
72.08167	0.6
81.03437	0.4
81.07092	0.2
84.04513	0.3
84.08134	0.7
85.02914	1.9
86.09715	1.5
86.25603	0.2
87.04443	0.2
89.03913	3.7
91.04941	0.2
91.05485	3.4
91.12569	0.2
92.49266	0.2
93.07057	0.3
95.04973	0.5
97.02895	0.8
106.04154	0.6
109.02834	0.3
110.07214	0.3
116.07101	0.3
117.03386	13.6
119.04959	2.7
120.08096	0.6
121.06496	0.3
123.08068	0.2
127.03913	0.3
129.10220	0.3
134.03612	0.9
135.04439	0.6
136.05228	0.3
136.07504	0.2
137.06020	0.3
140.07071	0.2
145.02855	44.0
147.04248	0.3
149.05988	5.1
151.07549	5.0
155.09064	0.2
163.03943	0.5
168.06593	0.2
177.05481	100.0
178.05829	0.5
186.05486	0.7
194.08252	0.2
207.06551	0.4
215.81343	0.3
344.14954	23.7
506.20297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.01870	10.2
55.05514	5.9
56.96570	29.1
57.03426	10.9
61.02922	19.4
65.03941	7.2
65.80526	4.2
67.05505	9.2
67.05856	4.4
69.03436	58.2
70.06594	9.2
70.75700	9.4
70.76077	8.6
70.90699	4.9
71.05006	7.1
72.08157	6.0
73.02923	9.1
79.05476	10.8
81.03420	27.4
81.07045	16.2
84.08154	5.7
84.14793	5.9
84.81361	4.2
84.96040	6.3
85.02439	7.7
85.02913	100.0
86.09695	7.0
87.04479	15.8
87.49068	4.4
89.03914	10.2
91.03956	6.3
91.05476	29.6
93.07043	16.4
95.04975	9.1
95.08614	8.6
96.08929	5.3
97.02907	40.8
98.97588	32.4
99.04424	8.6
103.05457	14.3
105.03391	6.5
105.07011	14.9
107.04919	6.5
107.08614	13.8
109.02882	10.9
109.10103	7.7
110.06036	10.0
110.97560	14.9
111.08030	6.5
116.98627	10.0
117.03375	21.1
119.04934	17.6
119.08588	8.9
121.06490	19.5
121.10136	13.1
123.04428	6.3
123.08013	7.3
124.05226	5.9
127.00690	8.1
127.03925	29.8
128.98555	8.8
131.04976	26.3
131.05818	5.3
131.08640	6.8
133.02856	15.2
133.06435	6.2
133.10146	6.0
135.04414	9.6
137.06017	28.8
138.05513	36.4
145.02849	42.8
145.04988	13.1
145.10085	14.4
146.10445	5.3
147.04390	14.6
147.08055	5.6
149.06024	33.1
149.09648	10.5
150.06773	10.0
151.07504	7.9
159.11690	11.1
161.05997	8.8
163.07549	14.4
167.07021	15.9
167.10696	17.9
168.11018	6.4
173.09630	8.6
177.05508	78.7
177.07066	6.6
179.07091	12.4
180.07788	10.3
181.04956	15.2
191.06998	9.1
197.01266	8.2
205.99068	6.4
209.01230	10.2
210.01982	7.2
211.99911	10.4
219.01773	8.7
219.13783	9.9
222.02225	5.2
223.02806	7.9
223.99945	5.6
225.00653	7.2
227.02319	16.9
237.02827	13.7
238.01448	5.0
242.01041	5.9
277.03836	5.0
293.07031	9.3
302.07800	5.4
311.08276	6.8
330.12082	9.2
331.09943	9.1
358.21167	5.9
377.11484	50.1
377.61868	6.4
383.11478	11.3
386.12054	28.9
386.62628	11.6
392.11856	10.8
395.12518	17.5
397.62778	16.3
401.12762	6.4
407.11612	13.7
411.00937	8.2
417.15320	7.7
452.28851	14.7
453.74380	5.1
458.14053	35.4
470.29965	27.9
475.12219	7.5
482.15445	39.4
482.65350	7.5
486.11966	7.7
488.30783	25.5
506.16656	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.05500	2.5
65.40944	0.6
67.05511	10.0
69.03420	1.8
69.07088	2.9
69.95467	2.3
71.04990	1.2
79.05485	2.1
81.07062	5.8
82.87946	0.5
83.04967	1.4
83.08610	0.9
85.06570	0.8
91.05500	3.3
93.07050	4.3
95.04946	1.3
95.08611	12.9
97.06510	1.1
97.10142	0.9
98.21550	0.5
101.06001	0.7
103.73061	0.6
105.07027	3.2
107.04955	0.8
107.08602	3.2
107.99988	0.5
109.06522	1.2
109.10162	21.9
111.08087	2.2
113.06042	0.6
113.09631	1.2
119.08579	4.8
121.10141	4.6
122.07290	1.1
123.08080	1.4
123.11697	1.3
125.09609	0.7
129.09109	1.2
131.08562	1.0
133.10127	1.9
135.08022	1.5
135.11700	1.6
137.09624	14.7
139.07552	2.4
139.11188	0.8
145.10112	1.4
147.08047	1.2
147.11710	1.2
149.09616	4.9
151.07494	1.3
151.11182	0.9
153.09087	0.6
153.12733	0.7
155.10655	2.0
157.08649	0.8
157.10115	0.9
159.11696	1.4
160.08830	0.7
161.09610	1.2
161.13283	0.8
163.03926	0.8
163.11137	1.6
165.09120	100.0
166.09418	0.6
171.11711	0.8
173.11760	0.8
173.13252	1.3
175.11188	1.6
177.09103	3.9
177.12808	0.9
179.10727	1.6
183.10211	1.1
183.11815	0.5
187.11215	1.4
189.09148	1.9
189.12752	1.1
190.09862	1.8
191.10652	3.1
199.11189	1.0
201.11133	1.0
201.12794	1.2
203.10693	9.2
203.14406	0.6
205.12239	10.1
215.11050	0.5
217.12263	2.5
217.80345	0.5
219.13887	0.5
221.11748	0.8
227.14334	0.7
229.12190	0.9
231.13734	0.8
235.13329	1.7
235.78452	0.5
243.13768	0.7
245.15341	1.8
274.62848	0.6
277.21695	0.8
285.18146	0.6
287.19888	0.8
288.21063	0.6
297.18655	0.9
302.48727	0.7
305.21060	0.9
315.19574	1.0
353.23132	1.9
423.29031	1.1
441.29996	3.2
469.29532	2.2
487.30585	3.0
505.31238	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	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75609	1.4
53.03948	3.8
55.01879	2.5
55.05515	8.1
56.05015	1.5
57.03424	2.5
58.64067	1.4
59.21355	1.4
65.03944	2.3
67.05504	18.6
69.03417	4.9
69.07072	10.7
70.06593	4.9
71.02847	3.5
71.04984	4.7
72.08156	3.8
79.05498	19.6
81.03439	7.1
81.07060	31.0
83.04996	3.3
83.08625	11.4
84.04501	1.9
84.08143	5.1
84.88023	1.4
85.02930	3.6
85.06537	3.4
86.09708	14.3
87.10037	1.8
91.05479	26.9
93.07048	52.4
93.07643	2.5
95.04972	11.7
95.08614	35.9
97.02895	3.3
97.06532	20.1
98.29945	1.4
103.05447	3.3
105.03390	5.1
105.04518	2.7
105.07033	35.4
105.07700	3.0
107.04961	4.9
107.08601	38.9
109.06529	14.1
109.10176	8.7
110.77336	1.5
111.08102	11.8
115.05437	2.4
116.66810	1.7
117.07021	10.1
119.04924	3.9
119.08577	20.6
120.08086	2.1
121.06509	27.4
121.10148	33.7
123.08073	39.9
123.11725	2.0
125.05997	4.6
125.09607	7.2
129.07005	6.8
131.04913	1.8
131.08577	30.5
132.10226	2.3
133.06487	4.5
133.07529	1.4
133.10118	14.9
135.08066	6.8
135.11688	6.6
137.05968	9.5
137.09648	4.7
139.07558	5.3
140.56717	1.5
140.66772	1.6
141.06967	1.9
141.09084	1.6
143.08562	12.5
144.09317	2.2
145.06444	3.2
145.10127	50.4
147.08063	10.6
147.11691	10.0
149.05949	1.8
149.09627	45.3
149.13223	3.7
150.10390	8.0
151.11224	10.1
153.09169	1.5
155.07291	2.2
155.08562	9.5
157.10121	9.0
158.07268	2.4
158.10873	2.0
159.08034	6.4
159.11693	25.9
161.09659	8.6
161.13315	3.8
163.07568	3.0
163.11206	4.5
163.14835	2.7
165.09145	14.2
167.07079	3.4
167.10689	77.7
168.09370	1.8
169.10117	4.4
171.07994	8.6
171.11630	8.5
173.09641	21.8
173.13254	19.0
175.07529	2.4
175.11212	6.2
175.14766	3.7
177.05496	3.1
177.09143	2.8
181.04965	1.6
181.10129	3.5
183.11705	6.3
185.09674	3.7
185.13232	2.1
187.11140	9.7
187.14766	1.7
189.09102	5.1
189.12752	15.9
191.10674	12.2
191.14351	4.5
193.10123	1.6
195.11755	4.1
195.64310	1.7
197.09583	2.7
197.13261	5.4
198.10220	2.0
199.11205	2.5
199.14885	2.8
201.12741	8.7
201.16478	1.8
203.14296	3.1
205.10400	1.8
205.12280	6.5
209.13354	3.4
211.11159	2.7
211.14833	2.4
213.12756	3.4
215.14296	3.7
219.11916	1.5
219.13800	43.2
221.15466	1.8
223.14815	3.3
225.12747	5.5
225.16316	1.7
227.14232	3.6
229.12234	5.3
231.13835	3.7
233.15401	2.1
237.12740	3.0
237.16440	3.1
239.14528	1.7
243.17529	1.8
245.15369	2.1
247.13312	5.3
249.14671	3.2
253.15942	3.5
255.17628	2.3
263.14249	2.4
265.16101	4.0
265.19080	2.0
267.17493	3.2
275.18109	1.6
281.15515	2.0
283.17023	10.6
285.18497	8.7
293.19104	8.6
299.16440	5.0
301.18036	2.9
303.19611	19.6
307.20868	2.1
311.20068	15.7
319.19122	4.5
321.18549	4.6
325.21661	2.0
329.21179	15.4
331.22952	2.1
339.19641	19.4
343.23187	2.0
347.22247	3.6
357.20612	38.1
371.22101	3.6
375.21698	12.4
433.27475	11.3
451.28461	45.0
469.29526	94.5
487.30573	100.0
498.68192	1.8
505.17505	3.2
505.31812	3.2
519.18988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01871	1.8
55.05513	6.9
57.03448	1.6
65.03949	1.5
67.05508	15.7
69.03423	2.9
69.07066	4.5
70.06596	5.2
71.04993	1.4
72.08160	2.1
75.70646	1.0
79.05482	12.3
81.03435	1.6
81.07055	19.1
83.04978	2.6
83.08611	7.4
84.04489	1.0
84.08140	3.9
85.02906	2.0
85.06549	1.9
86.09708	2.9
91.05479	17.5
93.07043	27.7
95.04977	10.9
95.08604	22.1
97.02908	2.3
97.06536	7.6
99.08099	1.3
103.05480	2.6
105.03407	1.7
105.04456	1.6
105.07027	21.2
107.04973	1.6
107.08594	20.0
109.06491	6.6
109.10115	4.9
111.04403	1.4
111.08080	6.2
115.05435	1.5
117.07026	5.0
119.04953	1.3
119.08592	14.1
120.08150	1.5
120.08948	1.2
121.06511	17.9
121.10137	10.9
123.04440	1.2
123.08069	22.1
123.11719	3.0
125.09603	6.0
128.06239	1.5
129.07011	3.5
129.10249	1.6
131.04910	1.2
131.08580	15.4
133.06506	2.1
133.10161	7.8
135.08076	5.3
135.11668	5.2
137.05989	5.7
137.09621	11.9
139.07553	5.6
139.11250	1.3
141.06961	2.0
141.08997	1.0
143.08540	7.9
144.09367	1.2
145.02885	1.7
145.06517	2.4
145.10127	20.3
147.08049	7.1
147.11723	5.3
149.05994	1.5
149.09618	18.0
149.13272	1.2
151.07452	1.7
151.11192	7.0
152.07059	1.1
155.08565	3.2
156.09328	1.7
157.10129	5.0
158.07240	1.3
159.08081	3.2
159.11681	8.4
161.09599	3.5
161.13313	3.6
163.03877	1.1
163.11217	4.4
163.14783	1.3
164.11578	2.7
165.09126	2.5
167.10687	12.4
169.10127	4.1
171.08060	4.2
171.11705	4.3
173.09650	12.8
173.13277	6.5
175.11241	3.0
175.14793	1.7
177.05493	2.9
177.12752	3.2
181.05034	1.5
181.10101	1.6
183.11664	2.8
185.09663	2.1
185.11646	1.6
185.13269	1.2
187.11217	4.7
187.14896	1.5
189.09154	3.0
189.12737	61.3
191.10695	4.9
191.14337	1.6
195.11736	2.7
197.13246	3.2
199.11221	2.1
201.12773	3.8
205.12251	3.1
207.11865	2.0
207.13795	2.9
209.13307	1.8
211.11230	1.8
213.12752	2.8
215.14252	1.8
217.12224	1.4
217.16180	1.4
219.13806	7.0
223.11192	1.6
223.14874	1.9
225.12697	2.5
227.14330	1.9
229.12270	1.6
231.13843	2.1
239.14207	1.5
240.81476	1.2
243.13805	1.5
249.14842	2.4
253.15953	1.5
255.17439	1.6
265.15945	2.3
267.17560	2.9
273.18417	1.1
283.17047	5.8
285.18591	1.9
293.19067	3.1
299.16556	1.4
301.18063	4.0
303.19574	5.8
311.19946	4.9
319.18903	2.1
320.05197	1.1
321.18640	1.5
329.21109	4.9
331.22772	2.8
339.19583	1.9
353.21234	2.1
357.20660	4.6
371.22223	6.8
375.21646	2.4
433.27325	5.3
439.28427	2.3
451.28430	24.1
457.29770	2.8
469.29523	100.0
470.29950	1.8
487.30484	11.4
505.21045	1.2
505.24265	1.1
505.31665	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	504.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	0.6
59.02725	0.3
61.52622	0.4
61.59098	0.3
63.02356	0.5
65.65259	0.4
69.20294	1.0
69.20703	2.5
72.08166	4.2
78.04709	0.5
81.07047	0.6
89.03915	4.8
96.10795	0.3
98.06015	0.4
98.20675	0.7
98.21307	1.6
106.04257	0.4
117.03390	13.3
134.03644	1.1
135.04391	1.0
145.02853	40.8
149.05994	4.6
158.05968	0.6
163.03891	0.4
177.05481	100.0
178.05901	0.4
186.05489	3.3
233.37273	0.4
248.12819	6.6
266.13873	9.0
328.31979	1.0
504.36737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.07074	0.5
63.02378	0.3
67.05506	0.4
69.07068	0.2
69.37013	1.4
71.08629	0.3
72.08155	4.1
78.04714	0.4
79.05459	0.3
80.72793	0.2
81.07049	0.5
85.10172	0.2
89.03916	4.4
89.04427	0.4
90.09196	0.4
91.05471	0.4
92.04561	0.2
93.07047	0.2
95.08587	0.3
98.06076	0.2
103.05482	0.2
105.07061	0.2
106.04133	0.3
107.01563	0.2
117.03379	14.5
119.08585	0.3
131.08598	0.2
133.10117	0.2
134.03647	0.9
135.04446	1.1
135.11736	0.2
145.02847	44.9
146.03214	0.3
149.05983	5.2
151.07500	0.3
151.14870	0.2
158.06050	0.9
162.03163	0.2
163.03873	0.3
163.92941	0.2
169.10213	0.2
177.05472	100.0
178.05794	0.4
186.05510	3.3
216.29745	0.2
217.07068	0.2
248.12843	5.2
266.13892	8.5
309.41016	0.2
328.32111	0.8
350.93246	0.2
407.33658	0.3
411.67197	0.2
412.29477	0.2
466.57605	0.2
504.36298	2.5
504.43179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
55.05506	7.4
67.05510	15.4
69.03429	3.0
69.07059	9.1
69.61581	2.2
70.79369	5.9
70.79728	3.2
71.04971	3.3
79.05506	18.8
81.03419	6.4
81.07063	24.6
83.04974	6.0
83.08630	11.5
85.83903	2.4
91.05492	23.0
93.07055	45.0
95.04991	5.5
95.08621	28.2
97.06512	13.6
105.03399	5.5
105.06384	3.2
105.07052	29.0
107.04958	5.7
107.08607	32.2
109.06528	10.8
109.10192	3.8
110.99886	2.4
111.08078	10.0
117.07010	8.4
119.04897	4.5
119.08586	17.5
121.06515	31.6
121.10147	28.8
123.08073	32.9
123.11708	2.4
125.06023	3.7
125.09650	10.7
129.06999	5.1
131.08566	27.5
133.06439	5.0
133.10149	14.4
135.08064	6.2
135.11665	3.9
137.05934	5.8
137.09651	3.2
139.07532	3.2
143.08580	7.1
145.10144	45.1
147.08073	9.2
147.11703	6.0
149.09616	34.3
150.10464	3.5
151.11197	5.4
155.08513	5.4
157.10127	8.8
158.07198	2.7
159.08075	7.7
159.11697	15.8
161.09615	7.7
161.13306	3.9
163.11197	2.6
163.14815	2.6
167.09341	4.3
167.10693	62.0
169.10109	6.1
171.08044	8.2
171.11766	6.5
172.32773	2.5
173.09642	21.4
173.13292	15.9
175.11160	4.7
175.14780	2.7
181.05025	3.4
185.13257	5.3
187.11195	10.0
189.09184	2.7
189.12727	14.8
191.10699	6.5
191.14372	6.0
193.10159	2.9
195.11687	3.1
197.13202	2.4
199.11197	3.0
201.12772	9.6
203.10530	2.5
203.14392	4.0
205.12250	7.1
209.13258	3.6
213.12784	4.4
215.14297	2.9
219.13824	39.4
223.11139	3.4
229.12274	4.6
231.13857	2.8
235.14885	2.9
237.91330	2.3
247.13301	6.8
251.09242	3.1
255.17410	2.7
264.64166	2.3
279.08597	4.2
283.16907	8.6
285.18631	5.9
293.18930	6.3
301.17935	4.4
303.19623	20.4
311.20102	14.0
313.21704	3.9
321.18292	6.2
329.21237	11.9
339.19617	13.1
357.20685	27.3
371.22223	3.2
375.21741	9.6
415.26059	3.1
433.27411	11.0
451.28421	27.1
469.29562	78.9
487.30621	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66970	0.3
52.28846	0.3
55.01868	0.3
57.03424	0.3
61.02914	0.3
63.02389	0.6
63.62227	0.2
69.03424	1.5
70.06588	0.5
70.28368	0.2
70.28700	0.9
71.42862	0.2
78.04714	0.2
81.03414	0.6
84.04491	0.5
85.02901	3.5
85.76065	0.2
86.09692	1.0
89.03919	5.5
91.05473	0.8
92.85226	0.2
97.02892	1.0
97.32046	0.3
106.04192	0.5
109.02852	0.5
115.05458	2.1
116.07157	0.2
117.03381	18.4
117.06993	0.4
127.03915	0.9
132.04468	0.3
134.03622	1.3
135.04401	0.8
137.05945	1.2
143.04948	1.7
144.05707	0.3
145.02846	52.2
149.05978	6.3
151.03885	1.4
160.03989	0.5
160.05193	2.9
161.05904	0.4
163.03920	0.2
166.08630	0.5
175.06059	0.6
175.07550	8.8
177.05469	100.0
178.05746	0.3
186.05511	0.8
192.06554	0.7
206.08163	0.4
218.08119	14.6
342.13345	19.9
504.18588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
61.02922	0.4
69.03436	1.1
69.53891	1.9
81.03431	0.6
85.02909	3.1
86.65701	0.3
87.04493	0.4
89.03912	4.3
97.02901	1.1
103.05437	0.3
115.05453	1.9
117.03381	16.8
117.07083	0.3
121.06478	0.4
127.03902	1.1
134.03648	1.1
135.04440	0.7
137.05981	0.9
143.04921	1.7
145.02852	49.7
149.05984	6.0
151.03915	1.3
160.03946	0.4
160.05200	3.0
163.03859	0.4
166.08623	0.4
175.07564	7.5
177.05473	100.0
178.05792	0.6
183.58336	0.3
186.05482	1.0
192.06520	0.5
206.08133	0.5
218.08136	14.1
218.33234	0.2
219.08566	0.3
342.13370	19.2
392.98129	0.3
467.84015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46731	0.1
56.05042	0.1
56.38678	0.1
57.85084	0.1
60.04525	0.1
62.01593	0.1
63.02390	0.4
63.34815	0.1
66.65098	0.1
69.03441	0.3
69.98843	0.4
70.06593	1.0
72.08163	0.9
72.16288	0.1
74.06100	0.1
78.04708	0.2
79.05488	0.2
79.56602	0.1
81.03461	0.2
82.64951	0.1
83.04987	0.1
84.04515	0.3
84.08150	0.3
85.02910	0.6
86.09714	2.2
87.37607	0.1
89.03925	5.7
91.05470	0.6
93.07022	0.2
95.05002	0.2
97.02905	0.4
103.05484	0.4
106.04177	0.3
111.04440	0.2
115.05460	1.6
116.07085	0.9
117.03390	18.9
117.07034	0.3
118.08721	0.1
119.04911	0.2
121.06512	0.4
127.03883	0.2
129.10268	0.3
131.04930	0.2
134.03635	1.1
134.06018	0.2
135.04443	1.0
137.05998	1.5
143.04939	1.4
143.11807	0.3
144.05714	0.3
145.02855	56.7
146.03288	0.2
146.06001	0.2
147.04413	0.2
147.08083	0.1
149.05992	6.9
151.03928	1.1
158.06018	0.3
159.11324	0.3
159.35390	0.1
160.03961	0.2
160.05193	3.0
161.06007	0.3
162.03197	0.2
163.03926	0.5
166.08589	0.3
171.11276	0.1
174.05531	0.1
175.04172	0.1
175.06303	0.1
175.07564	7.7
177.05479	100.0
178.05829	0.4
186.05527	1.0
192.06613	0.5
201.12283	0.2
206.08189	0.6
207.06421	0.2
218.08139	14.1
219.08615	0.1
227.07204	0.1
244.13029	0.2
265.08716	0.2
325.10590	0.2
342.13385	23.1
504.18671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54425	1.4
59.89634	1.6
62.38675	1.7
67.05506	9.0
69.07053	6.2
70.06578	6.1
70.62086	3.9
70.62428	2.3
71.04981	11.1
79.05474	6.2
79.85517	1.8
81.07064	9.6
81.43741	1.4
83.04960	1.8
84.08137	2.1
85.02873	2.8
86.09708	80.7
91.05479	21.5
93.07043	5.7
95.04971	1.9
95.08619	2.5
97.02865	2.8
105.07031	17.3
107.08576	6.7
108.58830	1.7
109.06570	1.7
113.16171	1.8
119.08606	8.5
120.08051	1.8
121.06467	2.7
121.10168	3.3
123.08067	2.9
125.06013	1.7
129.06993	2.8
131.08562	5.7
132.10205	37.6
133.06483	5.3
133.10146	16.2
135.08029	1.7
135.11690	2.3
137.06007	1.9
142.07741	1.7
145.02776	1.9
145.10156	2.9
147.08078	8.4
147.11688	18.0
149.09668	3.4
149.13249	2.4
151.07523	5.5
151.11116	2.6
157.10089	1.8
175.11188	23.5
177.05443	4.2
186.79150	1.6
187.07578	2.9
193.12256	29.4
194.08101	5.0
196.17932	2.0
208.16919	1.8
219.08055	1.6
221.46747	1.5
233.27354	1.5
247.07526	2.3
247.85391	1.6
254.17513	11.1
260.20062	5.9
278.21133	9.7
278.85281	1.6
286.96545	1.7
294.20624	5.1
306.20651	15.2
311.12726	3.4
324.21683	100.0
342.22690	5.2
466.69199	1.6
468.28146	2.4
513.69324	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71533	2.1
53.03942	5.7
55.01873	2.8
55.05513	15.7
59.94815	2.3
65.03923	2.9
67.05507	38.2
69.03439	11.4
69.07076	17.0
71.04979	2.4
71.12417	6.3
73.02930	3.1
73.73918	2.2
79.05497	25.2
81.03412	9.2
81.06595	5.0
81.07061	89.9
83.08634	5.1
85.02915	22.9
87.00835	9.1
87.04443	2.8
91.05481	37.2
93.07047	47.9
95.04958	4.9
95.08616	100.0
97.02901	14.6
97.06564	3.2
97.10219	2.8
99.04448	3.7
105.01884	15.7
105.07037	92.6
107.08604	92.4
108.81307	2.2
109.02864	11.6
109.10159	53.9
110.97536	2.5
111.08067	3.2
119.08588	64.1
121.10162	25.6
123.11707	15.9
127.03910	18.6
129.75409	2.3
130.97353	2.4
133.10141	41.3
135.11694	14.2
137.13202	2.5
145.04959	11.7
145.10179	4.4
147.11694	73.0
149.13258	2.7
159.02898	3.3
159.11665	3.2
161.13269	22.0
161.94089	2.4
163.14798	16.3
173.13298	2.9
175.14845	9.8
190.67331	2.7
203.17964	93.2
213.16370	2.4
221.19052	4.5
231.04985	7.6
249.06097	4.5
294.37177	2.4
408.06415	2.2
485.21805	2.4
495.96143	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3371
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
54.33763	0.4
55.05505	2.1
57.07072	0.7
62.54762	0.4
67.05494	1.9
69.07063	2.8
79.05496	1.9
81.07060	7.0
83.08614	1.4
85.06533	0.5
88.53172	0.4
91.05492	2.3
93.07044	4.4
95.04958	0.5
95.08614	7.1
95.44646	0.4
97.06522	0.9
98.21505	1.3
98.98473	3.7
99.08042	0.6
105.07034	9.2
107.08591	8.3
109.06528	1.3
109.10156	3.7
111.08044	0.5
117.07032	0.7
119.07806	0.9
119.08584	10.5
121.10148	5.2
123.08064	2.7
123.11720	1.4
131.08556	3.3
133.10135	10.0
135.08121	1.1
135.11699	10.1
137.09645	1.0
143.08571	1.4
145.10155	3.9
147.08034	0.6
147.11697	7.7
149.13287	2.4
151.11162	1.2
155.08546	1.0
157.10173	1.7
159.11713	3.0
161.09641	0.6
161.13268	18.1
163.14850	4.2
165.12735	0.7
169.10097	1.0
171.11723	2.4
173.02179	0.7
173.13293	2.0
175.14859	2.0
177.12727	1.1
177.16409	0.7
179.10814	0.5
179.14334	3.8
183.11702	0.7
185.13293	4.1
187.14830	8.0
189.11334	0.4
189.12762	14.3
189.16386	19.9
191.14359	1.4
197.13277	1.7
199.14879	2.2
201.16335	1.2
203.14322	2.0
203.17941	0.5
205.15764	0.7
207.13907	6.2
207.17445	26.8
211.14812	0.5
213.16458	2.3
215.18069	1.0
217.15947	0.9
219.13852	0.5
219.74304	0.5
225.16475	1.0
227.17888	0.7
231.13876	1.7
231.17451	0.9
233.15372	0.9
235.13313	5.4
239.17958	2.6
241.19527	1.1
253.19569	1.4
259.20523	0.7
271.20609	0.7
285.18524	0.5
303.26822	0.8
331.26291	5.1
341.07828	0.9
371.25729	0.6
375.30405	1.4
389.26920	7.4
393.31503	3.7
405.30054	3.2
411.32608	20.6
421.31128	1.7
439.32095	2.7
449.32849	0.6
457.33148	100.0
458.33603	0.8
503.27783	1.8
503.34464	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3712
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
55.05507	1.0
58.40984	0.6
67.05506	0.7
69.07084	1.4
69.44821	5.0
79.05490	1.5
81.03387	0.7
81.07059	1.2
83.08638	0.9
83.51163	0.9
91.05520	0.8
91.28685	0.7
93.07023	1.1
95.08605	1.2
98.20890	1.4
98.21554	1.4
98.98454	1.0
107.08611	0.8
109.02652	0.8
119.08636	0.6
123.08062	0.8
134.12633	0.6
256.12836	0.7
331.26456	1.5
392.79520	0.7
417.33936	1.0
485.36060	58.2
486.19955	0.7
503.37125	100.0
504.37201	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58259	1.4
53.03933	2.9
55.01874	2.1
55.05508	8.7
57.03436	1.9
57.07069	1.6
62.83376	1.3
66.02549	1.3
66.56296	1.6
67.05511	9.3
69.03424	3.7
69.07063	6.0
69.61897	7.8
70.06606	7.0
72.08109	1.4
79.05488	11.3
81.03415	3.9
81.07056	15.3
83.04987	7.5
83.08604	3.0
84.08135	3.6
85.06511	2.2
86.09688	2.3
91.05479	12.8
93.07046	21.9
95.04971	16.8
95.08607	11.8
97.02898	1.4
97.06529	15.5
98.97596	1.7
99.04433	3.5
99.08052	1.6
103.05447	2.2
105.04514	1.9
105.07027	15.6
107.04948	3.2
107.08599	8.4
109.06520	60.0
109.10158	4.4
110.07171	1.6
111.04435	2.4
111.08069	14.3
113.06004	3.0
115.05443	1.7
117.03365	2.6
117.07021	5.0
119.04938	2.0
119.08581	13.5
121.06539	7.6
121.10121	7.9
122.10459	2.4
123.08070	24.7
125.09591	4.9
129.07002	4.7
131.04927	3.0
131.08600	10.7
133.06503	1.8
133.10194	7.3
135.08063	32.0
135.11671	3.2
136.26100	1.3
137.05962	17.1
137.09621	22.0
139.07552	21.1
139.11168	1.5
141.06929	1.7
142.07782	2.1
143.08575	11.3
145.02846	4.5
145.10144	16.5
147.08102	3.4
147.11728	4.6
147.49277	1.5
149.05969	1.9
149.09618	5.6
153.09106	19.2
155.07138	2.0
155.08545	5.4
157.06488	2.8
157.10130	6.4
159.08031	4.1
159.11725	8.4
161.09625	5.3
161.13211	2.1
162.96448	1.5
163.11192	5.1
165.07014	2.1
165.09105	8.7
165.12845	2.0
167.08594	2.6
169.10109	6.3
170.79042	1.5
171.08112	7.6
171.11682	3.5
173.09631	13.5
173.13263	11.1
175.11198	3.3
177.05437	8.1
179.08514	2.8
181.10110	5.7
183.10135	5.5
183.11690	4.8
185.09631	5.2
185.13252	4.6
187.11157	4.1
189.09123	3.3
189.16328	2.7
190.16733	2.4
191.10690	5.2
193.10107	6.3
195.08095	1.5
195.11682	7.9
196.08919	1.8
196.12447	1.7
197.09650	3.9
197.13246	4.5
198.10423	1.7
199.11197	5.2
201.11153	3.2
201.12825	2.3
205.10161	1.7
207.11771	5.0
209.09630	3.5
209.13257	4.3
211.11177	6.1
211.14775	2.4
213.12703	12.0
215.14336	2.5
217.10089	1.6
217.15811	1.7
219.11700	2.5
221.09579	1.5
221.13261	3.6
223.11150	6.2
223.14967	1.8
225.12657	9.1
227.14279	2.0
230.10957	1.7
231.13750	4.9
233.13300	2.8
235.14810	6.3
237.12749	1.9
237.16362	5.0
239.14357	4.5
243.21327	1.8
246.61794	1.5
247.14957	2.2
249.12669	2.6
249.14880	3.3
250.13387	3.3
251.14401	2.7
253.15807	4.4
255.17439	2.3
263.14264	4.3
265.15894	7.4
267.17499	1.5
271.17014	2.4
281.15414	5.5
283.16995	15.1
283.20108	2.9
285.18298	1.8
293.19000	4.2
299.16431	22.5
301.18002	100.0
303.19553	6.3
309.18365	2.1
311.20102	5.2
321.18304	2.7
325.17966	1.9
327.19629	4.1
329.21063	6.8
331.22687	4.1
333.18390	2.0
339.19421	3.2
347.22211	4.9
353.21082	4.6
357.20468	8.4
371.21957	3.1
375.21835	2.2
381.24359	1.7
387.22934	2.6
393.24518	1.6
405.24109	5.4
419.25494	1.7
423.25333	19.5
431.25882	2.4
437.26852	15.8
441.26337	16.9
449.26917	9.4
455.27933	18.0
467.28003	15.3
485.29010	22.8
503.30139	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	503.3372
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.05509	3.0
57.62939	1.2
67.05502	2.1
69.07059	3.4
69.95876	3.9
69.96272	2.2
79.05485	2.9
81.07047	5.6
83.08624	2.3
86.81602	1.3
91.05452	2.3
93.07070	6.4
95.08620	9.3
95.82642	1.4
97.06531	1.4
97.33795	1.1
98.98477	1.4
105.07040	10.1
107.08593	9.5
109.06526	2.5
109.10148	4.5
111.08113	1.2
119.08582	13.7
121.10156	4.9
123.11702	2.5
123.79985	1.6
124.31747	1.0
129.06999	1.1
131.08554	3.6
133.10132	9.7
135.11702	11.2
137.05931	1.2
139.07416	1.2
143.08566	1.7
145.10109	3.1
147.11681	7.7
149.13252	3.3
157.10124	3.0
159.11674	2.4
161.11998	1.7
161.13260	22.2
163.14795	4.9
164.77625	1.2
165.09030	1.5
167.63564	1.2
171.11665	3.6
173.13303	2.8
175.14845	3.9
179.14310	2.8
183.11729	1.8
185.13246	5.0
187.14859	9.1
189.12743	13.5
189.16389	19.9
199.14824	1.8
203.14288	2.8
203.18024	1.3
207.13889	6.1
207.15567	2.2
207.17445	31.3
213.16479	1.9
215.17958	2.0
216.54752	1.1
231.13802	2.0
235.13310	5.4
239.18039	2.2
253.19604	1.7
331.26343	1.9
341.07642	3.6
389.26932	8.6
393.31451	5.3
397.42642	1.2
405.29889	1.6
411.32611	24.0
421.31079	1.8
439.32071	4.0
441.67593	1.4
457.33148	100.0
458.33289	1.7
503.33478	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
57.03437	0.7
69.03424	1.9
69.34140	3.0
69.34554	1.7
70.06573	0.8
79.05481	2.1
81.03407	1.1
81.07059	0.8
84.08117	0.7
85.02918	3.9
86.09705	1.3
91.05494	3.1
94.04193	3.1
97.02892	1.8
103.05476	0.9
105.07027	4.6
107.04945	1.3
109.06510	2.3
113.65968	0.6
115.05452	2.2
117.07030	1.6
119.04961	1.1
119.08611	1.4
122.03635	7.3
128.06186	1.4
129.07016	1.5
131.04961	1.2
131.08549	1.0
132.05704	1.7
133.06487	3.3
133.10120	1.2
137.05978	100.0
143.04962	0.7
143.06093	0.8
144.05669	0.8
145.06505	0.9
146.03578	0.6
147.04378	0.9
147.08063	2.8
149.05934	1.5
151.07663	0.6
155.04991	1.1
156.05748	0.9
159.08081	1.8
160.05203	1.1
161.05981	14.2
163.07510	0.7
172.05177	1.3
173.13254	1.4
175.07556	27.4
179.07083	1.5
184.05223	0.9
187.07536	8.8
189.53999	0.6
190.07782	1.8
191.08540	7.1
191.14435	0.9
199.07545	7.8
202.07800	2.3
203.08557	4.0
208.08862	0.8
217.08531	0.9
218.07294	1.9
219.08060	9.4
220.08855	2.0
231.08043	6.1
232.08836	0.7
233.09579	0.7
235.07593	0.9
236.08420	1.6
247.07582	4.0
248.08316	4.0
249.09056	0.7
251.10684	13.8
253.08667	0.7
259.07559	2.3
260.08273	1.7
261.09207	1.3
263.10709	2.4
264.07764	1.4
275.07013	0.7
276.07886	1.6
277.08633	1.5
279.10181	11.4
280.10809	0.7
291.10141	9.6
292.10971	2.0
295.10062	0.6
295.13266	1.2
296.10501	1.0
308.10526	1.1
311.12784	28.7
323.12805	12.4
341.14084	0.9
481.25323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75710	2.5
51.11189	2.8
55.05503	9.7
57.03426	11.7
57.07077	29.3
63.91388	2.8
65.93381	2.9
67.05508	75.0
69.07056	6.5
69.16690	27.6
71.04979	3.9
71.08636	20.8
81.07050	17.2
83.04997	3.5
83.08606	10.4
85.06549	3.2
85.10161	9.7
93.07072	4.0
95.08618	18.8
95.34650	3.0
105.14761	2.9
109.10165	75.5
119.08545	3.8
123.11745	3.6
155.10690	5.5
173.11758	16.6
228.98700	3.4
229.14372	96.6
284.91684	2.9
313.27383	100.0
385.23502	3.0
467.37427	59.6
497.82483	2.9
502.42932	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	502.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
63.02393	0.4
69.07062	0.2
69.82309	1.0
72.08161	3.4
81.07076	0.3
89.03915	3.8
90.76456	0.2
91.05434	0.3
98.06059	0.6
98.21188	0.7
105.07117	0.3
117.03388	13.8
118.19850	0.2
134.03653	0.6
135.04382	0.9
145.02855	43.0
147.13992	0.3
149.05989	5.2
158.06047	0.5
162.03172	0.4
163.03902	0.3
177.05479	100.0
178.05876	0.4
186.05510	3.6
248.12843	11.1
266.13943	4.4
308.91379	0.2
326.30518	0.7
385.65805	0.2
502.35861	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	502.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43607	1.7
52.41869	1.4
53.03947	3.0
54.57485	1.9
55.05494	6.6
67.05526	8.4
69.03429	3.3
69.07047	3.6
69.31892	1.4
69.34330	12.5
70.06589	8.9
72.08152	2.3
73.02894	2.0
79.05492	8.8
81.07063	35.0
83.08589	1.9
84.08117	4.0
85.02932	8.7
86.09694	5.9
91.05489	16.6
93.07053	26.0
95.01327	5.5
95.04989	2.8
95.08610	27.1
97.02908	1.5
97.06538	2.9
97.10177	2.0
101.80935	1.4
105.06401	2.6
105.07034	31.7
107.08600	34.5
109.06525	1.5
109.10165	8.0
110.07191	2.6
113.02356	1.6
117.07021	3.1
119.08591	70.4
120.08104	2.1
121.06518	5.0
121.10152	57.6
123.08067	10.9
123.11707	3.5
128.06230	1.8
129.07019	2.0
129.10220	4.5
131.08534	3.6
133.10132	33.6
135.08054	3.6
135.11700	25.1
137.05959	1.9
137.09630	2.9
141.01842	8.0
143.08571	3.0
145.02814	2.0
145.10104	5.4
146.07338	1.6
147.04395	1.4
147.08081	3.3
147.11693	13.2
149.09537	1.8
157.10100	5.4
159.09091	1.9
159.11688	12.5
161.09621	5.9
161.13274	39.4
167.53091	1.6
171.11659	2.3
173.13275	2.5
175.11179	2.9
175.14801	2.5
177.05537	3.6
178.05807	3.3
187.23964	1.6
189.16391	100.0
199.14890	4.0
217.15883	46.2
235.16901	6.1
309.20615	23.0
393.18991	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	3.1
55.05518	52.6
56.60513	2.6
57.03438	30.6
57.07079	55.0
61.27223	2.6
67.05506	62.2
69.06689	3.9
69.07072	73.4
71.04980	3.3
71.08635	33.7
71.52305	2.7
75.04482	6.6
79.05496	23.5
81.07057	99.4
83.04967	4.4
83.08161	4.0
83.08623	63.3
85.06509	3.1
85.10193	21.4
91.05476	5.0
93.07038	34.4
95.08614	85.5
97.06541	16.4
97.09640	3.7
97.10175	41.9
105.07013	5.3
107.08589	23.4
108.04025	2.7
109.10152	41.8
111.03384	2.6
111.08059	12.2
111.11716	12.5
115.07577	4.9
116.75186	2.9
119.08524	4.1
121.10143	38.7
123.11729	15.6
125.09608	11.2
125.13274	4.3
130.15030	2.5
131.07014	9.9
135.11696	32.8
137.13237	8.0
139.11162	9.6
143.10672	4.8
147.11577	3.1
149.13264	14.3
151.14810	5.0
153.12729	5.8
155.61400	2.9
161.13231	4.2
163.03967	3.5
163.14830	10.3
167.14285	4.6
175.14789	3.3
177.16415	6.1
189.16351	3.5
191.17818	3.7
191.52301	2.7
195.00377	4.7
195.17468	6.7
199.16965	3.0
209.18971	3.6
213.18456	4.1
289.28574	6.2
307.30145	14.5
317.28372	12.9
335.29404	33.4
353.30563	3.1
371.31598	100.0
409.33115	55.8
427.34268	79.5
458.16827	3.0
483.36896	41.2
501.19409	8.4
501.37997	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	501.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.05515	10.1
56.80224	4.4
65.06857	5.1
67.05489	15.9
69.07064	15.4
69.42389	20.7
69.42822	15.0
73.65225	5.1
79.05490	11.6
81.07073	45.8
85.30353	5.0
91.05480	10.2
93.07053	32.6
95.08613	68.8
98.21539	5.8
105.07047	53.0
107.08608	46.8
109.10165	39.7
111.08153	4.3
111.11729	4.9
117.07030	5.9
117.14374	4.3
119.08583	40.8
121.10159	35.8
123.11697	14.4
131.08574	39.1
133.10127	46.2
135.08076	12.0
135.11694	25.6
137.05937	5.0
143.08539	8.6
145.10120	38.3
147.11667	36.4
149.13269	23.2
157.10085	10.8
158.10968	5.7
159.11685	70.6
161.13269	52.4
163.14830	35.3
171.11653	25.1
173.13274	100.0
175.14836	32.6
177.12814	6.7
177.16441	9.0
179.14281	9.6
181.51266	4.4
185.13249	21.9
187.14868	57.7
189.16367	24.2
191.17979	33.9
201.16386	9.9
203.17931	25.9
205.15790	7.6
205.19431	10.8
207.13885	8.7
207.17415	11.5
213.16243	10.2
215.18018	25.2
215.19783	5.0
217.19598	12.4
219.13814	7.9
221.15419	10.4
221.18994	12.2
228.16031	5.1
233.15402	23.5
247.17009	25.4
273.18542	6.5
275.20139	8.2
329.24631	7.5
350.17740	5.2
377.32059	21.6
395.33102	80.8
403.28442	9.0
421.93781	5.3
423.32849	6.4
437.34027	16.5
455.35510	81.9
483.34494	17.3
501.26221	15.0
501.32428	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	501.3578
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
51.14544	2.5
55.05500	12.2
56.96548	3.0
57.03432	4.5
57.07063	3.7
61.02910	2.8
67.05505	14.6
67.05802	2.6
69.07058	13.0
69.50968	19.9
74.23166	3.0
79.05487	10.1
81.07056	42.8
83.08607	9.5
85.02882	2.9
91.05481	11.2
93.07047	29.7
95.08070	4.7
95.08611	57.9
97.10197	4.4
105.06422	2.9
105.07039	36.2
107.08601	47.7
109.10162	31.3
111.08067	5.3
119.08584	35.2
121.10153	37.2
123.08058	3.5
123.11687	14.4
125.09629	6.2
129.06992	3.0
131.08574	39.1
133.10132	45.7
135.11703	20.7
137.13194	3.1
143.08583	8.9
144.09335	3.1
145.10118	33.2
147.11682	34.7
149.13232	19.5
157.10085	11.3
158.10847	5.0
159.11699	63.1
160.02000	2.7
161.13284	48.5
163.14824	42.8
164.93008	3.2
171.11688	18.6
173.13260	100.0
175.14812	30.2
177.16388	7.1
179.14343	5.2
179.35266	3.1
180.43858	3.7
185.13226	20.3
187.14825	53.4
189.16373	24.5
191.17931	39.5
193.12073	3.4
199.14839	7.5
201.16360	8.2
203.17943	23.3
205.19438	8.0
207.13788	8.3
207.17337	4.1
213.16376	12.6
215.17926	21.8
217.15826	3.5
217.19522	13.4
219.13736	7.8
221.15337	10.0
221.18994	10.4
229.19550	4.0
231.20970	4.0
233.15395	22.9
233.18967	3.8
235.16888	4.8
241.19389	3.3
245.15431	7.3
247.16905	30.6
249.18433	4.2
259.16922	5.4
272.24527	3.0
273.18469	7.9
275.19995	8.2
312.26508	2.9
375.28699	3.0
377.31949	16.5
395.28168	6.1
395.33087	91.0
423.32663	17.9
437.33994	19.2
441.33667	4.4
455.29099	5.1
455.35223	90.7
483.34613	28.8
501.35129	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	501.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	8.1
56.96547	7.9
57.07060	3.8
67.05502	11.4
69.05035	2.3
69.07066	11.4
70.07431	2.9
70.60522	2.6
71.51246	2.5
78.87814	2.6
79.05483	10.6
81.07060	40.1
81.20182	2.8
83.08593	5.6
84.08147	2.7
91.05480	12.6
93.07047	28.9
95.04968	2.7
95.08614	51.5
97.10183	5.1
98.97585	10.7
105.07037	42.4
107.08603	51.5
109.10162	35.7
110.97588	2.9
111.01786	2.7
111.08063	5.1
116.98663	3.6
117.07020	5.1
119.08583	34.4
121.10152	38.4
123.08101	3.2
123.11705	12.0
129.06915	4.1
131.08571	38.9
133.10124	38.4
135.11694	18.6
137.13269	3.3
140.35382	2.6
143.08562	11.3
145.10139	31.9
147.11713	37.8
149.13275	17.5
157.10136	14.5
158.10910	7.3
159.11700	56.6
159.12985	2.0
161.09645	3.3
161.13263	37.6
163.07671	3.1
163.14842	27.3
169.10135	5.0
171.11713	24.4
173.13280	100.0
174.13579	3.4
175.11235	3.0
175.14854	23.5
177.12611	3.5
179.14372	5.1
185.13300	22.2
187.14836	45.5
189.12825	4.3
189.16391	23.0
191.17935	34.8
193.12108	3.8
199.14882	5.3
201.12590	3.2
201.16408	9.2
203.17949	19.6
205.15822	3.4
205.19579	8.5
207.13800	5.0
207.17473	5.1
213.16364	10.6
215.17996	19.1
217.19434	12.6
219.13824	5.4
221.15390	8.9
221.19044	6.6
231.20999	3.4
233.15407	16.3
235.16933	5.9
242.70245	2.8
245.15396	7.4
247.16917	21.6
261.18478	4.3
273.18518	5.6
275.20065	6.3
329.24698	3.1
368.65466	2.5
377.32077	17.9
392.99954	5.9
394.99969	2.9
395.28220	3.9
395.33163	76.8
411.00766	8.1
412.01126	6.0
413.01553	3.3
423.32477	10.6
437.34387	24.9
438.34506	3.7
455.35443	66.6
483.34937	18.2
501.25592	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	501.3575
Annotation	poricoic acid H
Peak:m/z	Relative Intensity
51.68517	2.4
53.64917	2.4
55.05502	7.7
57.07061	2.9
58.63828	2.3
64.35016	2.4
67.05494	10.0
69.07049	11.9
70.69842	5.5
70.70216	4.4
71.91241	2.9
79.05489	7.7
81.07063	38.6
83.08601	4.4
88.43409	2.9
91.05442	7.8
93.07029	22.3
95.08599	46.7
99.01112	2.5
103.05470	2.6
105.07021	41.3
107.08598	43.9
109.10156	26.3
111.11730	3.2
115.21918	2.4
119.08585	32.7
121.09335	3.5
121.10144	39.0
123.07967	2.4
123.11687	16.2
131.08582	34.5
133.06462	3.0
133.10127	34.2
135.11671	21.6
143.08545	6.1
145.02786	4.0
145.10139	28.1
147.11703	30.8
149.13269	18.7
154.25720	2.7
156.09103	2.7
157.10089	7.3
158.10857	4.7
159.11696	59.2
161.13251	38.7
163.14848	35.2
165.12808	3.5
169.10089	3.9
171.11678	15.4
173.13261	100.0
175.14838	26.2
177.05431	8.4
177.16382	4.1
179.14377	3.4
185.13292	19.9
187.14792	39.2
189.16379	17.8
191.17966	35.7
199.14783	4.1
201.16241	5.5
203.17970	16.9
205.16125	3.3
205.19463	4.5
207.13812	7.8
207.17464	4.4
213.16350	11.9
215.17932	21.5
217.19502	11.8
219.13795	5.7
221.15379	6.5
221.18997	8.4
227.17992	2.8
231.21103	3.7
233.15372	16.3
233.54085	2.8
235.17023	3.5
245.15361	7.3
247.16971	25.0
261.18631	2.7
273.18491	4.2
275.20053	8.1
305.17789	2.9
377.31995	16.1
395.33087	78.5
423.32333	16.3
435.81415	3.5
437.34177	22.3
455.35229	76.4
465.33289	3.4
483.34537	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	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78786	2.1
55.05514	7.4
57.07071	4.4
67.05507	13.2
69.07074	14.3
69.94215	6.5
69.94608	4.3
79.05484	10.5
81.07056	41.3
83.08604	8.1
91.05466	7.3
93.07043	33.6
95.08611	65.8
97.10180	4.2
105.06403	4.4
105.07038	50.4
105.86801	3.1
107.08591	48.7
109.06490	3.4
109.10144	34.4
119.08584	43.1
121.10146	43.5
123.08034	3.5
123.11713	14.2
129.06995	2.4
131.08575	37.4
131.89760	2.6
133.10127	39.9
135.11685	24.5
137.13245	3.9
143.08559	8.4
145.10135	34.7
147.10556	3.6
147.11687	38.2
149.13263	16.1
157.10127	16.2
158.10881	4.7
159.11690	54.0
161.13272	43.0
163.07590	3.6
163.14838	38.0
169.10078	3.8
171.11725	19.8
173.13261	100.0
175.11255	3.1
175.14848	33.2
177.16426	7.5
179.14322	7.9
181.73051	2.5
185.13249	19.8
187.14832	47.8
189.16385	23.9
191.17960	33.7
197.13373	3.8
199.14824	7.2
201.16351	8.7
203.17943	23.2
205.19461	6.0
207.13837	9.0
207.17506	6.1
213.16415	9.0
215.17987	23.8
217.19458	13.1
219.13870	6.4
219.17407	3.2
221.15375	8.7
221.19002	9.2
229.19368	2.9
231.13850	4.6
231.20921	4.9
233.15456	15.8
235.16872	6.2
245.15350	4.1
247.16945	27.4
249.18549	4.2
261.18637	3.4
273.18463	6.9
275.20096	5.8
319.12912	3.0
377.31964	18.5
395.33127	76.9
403.28308	2.9
423.32785	12.8
437.34341	19.1
455.35352	77.5
483.35184	18.7
501.26236	3.2
501.32788	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	501.3576
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
55.05513	5.5
67.05503	11.3
67.05807	1.9
69.07064	9.1
70.31213	7.2
79.05492	9.3
81.06594	2.5
81.07063	38.2
83.08619	6.2
85.02906	3.5
91.05482	10.5
93.07051	25.2
95.08615	52.1
97.10146	3.5
98.20835	2.5
99.08104	3.7
105.07034	36.3
107.08595	43.8
109.10167	33.5
117.03420	2.0
117.07023	2.9
119.07814	2.8
119.08591	35.6
121.10153	33.0
123.11704	12.5
125.09641	2.2
131.08578	36.3
133.10139	34.2
135.11716	21.6
137.05959	2.6
137.13251	3.3
143.08575	7.8
145.02861	6.6
145.10126	35.8
147.11694	33.4
149.13240	18.1
157.10075	10.0
158.10904	3.4
159.11700	63.4
161.13258	40.2
163.07491	2.3
163.14839	43.5
169.10217	2.8
171.11703	18.1
173.13278	100.0
175.14833	31.2
177.05504	17.4
177.16440	6.8
179.14314	4.8
185.13300	18.8
187.14821	47.1
189.16405	24.0
191.17950	39.6
193.12270	4.0
199.14854	6.9
201.12721	2.2
201.16383	7.8
203.17975	21.7
204.18452	2.1
205.15926	2.0
205.19580	6.7
207.13824	9.3
207.17450	5.3
213.16461	13.0
215.17950	19.7
217.19522	15.8
219.13747	3.7
221.15388	8.7
221.18959	10.9
229.19482	2.8
231.13809	2.3
231.21127	3.8
233.15312	20.5
233.19006	2.6
235.16975	4.2
245.15384	4.2
247.16914	27.2
249.08215	2.1
249.18465	6.0
255.21149	3.9
259.16977	3.7
261.18594	4.4
273.18555	6.7
275.20114	6.4
377.32065	19.5
395.33099	86.6
423.32709	14.3
437.34140	27.0
455.29059	4.4
455.35254	87.9
465.33749	2.9
483.34885	25.6
501.34622	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	501.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.4
55.01883	3.6
55.05511	30.5
57.03452	19.4
57.07074	13.6
61.02929	60.8
67.05504	38.8
69.03441	28.8
69.07076	42.4
69.43528	12.5
69.43949	10.3
71.01344	3.2
71.05008	3.6
71.08631	8.8
73.02927	23.1
78.62572	2.6
79.05492	19.3
79.11996	3.1
81.03424	19.9
81.07062	41.3
83.08618	26.6
85.02914	64.8
85.06550	3.3
87.04480	4.8
87.45788	3.3
91.03967	33.6
93.07035	15.9
95.04985	4.0
95.08611	39.9
97.02901	54.0
97.10191	19.3
99.04461	8.2
101.02404	13.5
103.03956	10.9
105.07071	5.3
107.08603	13.1
109.02861	11.0
109.10152	20.0
111.08068	4.6
111.11736	7.3
115.03928	6.1
121.10133	23.0
123.11698	8.0
125.09579	3.7
127.03926	22.2
129.05521	6.7
135.11726	15.7
145.05005	10.0
147.04417	4.1
149.13235	8.5
153.12796	4.5
159.06410	3.8
160.21600	2.9
169.15784	3.1
183.06583	4.5
191.17880	3.2
201.07611	5.6
236.14923	3.5
247.24229	11.7
265.25314	32.3
265.78815	3.1
339.28949	100.0
367.28595	6.4
463.87180	3.7
483.32925	6.9
501.19424	6.1
501.34570	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70619	1.9
53.03939	6.0
55.01872	3.8
55.05521	22.3
57.03443	21.1
57.07078	14.1
58.06625	2.3
61.02932	46.5
67.05509	28.8
69.03438	23.2
69.07074	39.9
69.84774	7.9
71.01390	2.8
71.04990	4.5
71.08622	5.7
73.02927	23.5
73.89614	1.6
75.04500	1.9
78.30755	1.8
79.05492	13.8
81.03423	14.7
81.07059	36.4
83.04972	3.8
83.08621	23.7
85.02916	51.2
85.10211	2.1
87.04472	2.1
91.03961	32.1
91.05493	5.9
92.05848	2.1
93.07055	16.9
95.08614	36.1
97.02898	42.6
97.06538	5.3
97.10188	17.2
99.04465	11.1
99.08147	1.7
100.38398	1.9
101.02385	11.0
103.03950	7.6
105.07034	3.2
107.08608	11.9
109.02892	11.8
109.10143	13.7
111.04409	2.4
111.08114	3.7
111.11725	4.8
115.03943	3.9
117.05529	2.0
121.10155	21.5
123.11700	5.9
127.03925	21.8
129.05492	6.2
131.08643	2.3
135.11699	13.5
145.05000	9.2
149.13264	6.5
163.14752	2.5
176.04611	1.8
177.16370	2.4
183.06575	3.9
187.40057	1.9
196.44713	1.8
201.07637	5.3
228.23256	4.2
238.15311	1.9
247.24269	11.8
265.25287	31.1
323.29279	2.1
334.93259	2.2
339.28946	100.0
352.69363	2.2
367.28522	4.3
373.27466	2.7
412.83386	2.0
447.31458	3.2
465.31934	2.6
483.33032	9.5
501.34048	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	501.3213
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
50.20468	0.4
55.05503	1.3
56.37145	0.4
57.07075	0.8
67.05503	2.9
68.12013	0.4
69.07076	2.5
69.81748	2.2
79.05469	2.0
81.07053	6.2
83.04984	1.8
83.08618	1.0
85.06546	0.4
91.05505	2.1
93.07046	5.4
95.04968	0.8
95.08611	7.9
97.06555	1.2
97.10180	0.8
98.97557	0.7
105.07035	6.5
107.08596	8.6
109.10146	4.8
110.49086	0.4
111.08096	1.0
112.43491	0.4
117.07012	0.6
119.08588	6.3
121.06472	0.6
121.10148	5.6
123.11692	3.2
131.08577	4.1
133.10147	5.3
135.08080	1.0
135.11694	5.9
137.09679	0.6
137.13318	0.5
139.11223	0.5
141.06995	0.6
142.07704	0.5
143.08595	1.8
145.10126	3.2
147.07985	0.5
147.11681	4.0
149.09613	0.7
149.13268	1.9
153.12833	0.5
155.08577	0.9
157.10143	3.4
158.10977	0.5
159.08098	0.6
159.11694	9.6
161.09653	1.5
161.13266	5.0
163.14835	1.2
169.10069	0.8
171.11711	4.2
173.09647	0.5
173.13264	13.6
173.14711	0.8
175.11224	0.8
175.14853	5.9
177.12798	0.5
177.16403	1.8
179.14311	0.7
181.10191	0.7
182.10992	0.5
183.11748	2.3
185.13191	2.3
187.14813	2.6
189.12738	0.6
189.16396	4.4
191.17953	1.5
193.12216	0.7
195.11728	1.0
197.13339	1.6
199.11221	1.8
199.14799	2.0
201.12746	2.6
201.16495	0.4
203.17938	0.5
205.12242	0.6
207.13893	0.5
207.17412	0.7
209.13216	0.5
211.14877	1.9
213.11023	0.4
213.12801	1.8
213.16315	2.3
215.14354	0.9
215.18047	0.5
217.12364	0.6
217.15930	1.5
217.19598	0.4
219.10347	0.5
219.13797	9.4
221.15494	0.5
223.14813	0.5
225.16451	1.4
227.14417	0.8
227.17993	1.3
229.15909	1.0
231.13768	0.8
233.15375	0.6
235.16974	2.1
237.16476	1.3
239.17976	0.7
241.15967	1.5
245.11757	1.0
245.15459	0.8
247.13362	1.6
247.17081	0.5
251.17847	0.6
255.17426	2.4
257.15363	0.8
257.18988	0.8
259.13376	0.8
259.17047	0.6
261.14853	0.6
269.19244	0.5
271.17242	0.5
273.18542	0.8
275.16296	0.9
275.19986	0.7
283.16870	1.2
285.18549	0.4
301.18008	3.6
311.19992	0.5
347.18872	0.6
347.27289	0.4
359.87482	0.4
377.32330	0.4
391.29990	1.6
395.33142	1.5
409.30936	2.8
419.29666	0.6
427.32028	0.6
437.30594	1.6
455.31424	19.4
483.30771	0.7
501.32129	100.0
502.32562	1.1
514.07489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23645	0.3
55.01848	0.5
55.05511	2.3
57.03436	6.4
57.07045	1.1
58.06602	26.0
59.07386	7.8
60.08167	8.3
67.05508	1.9
69.07064	3.2
69.35790	2.8
73.02891	1.0
75.04487	3.2
79.05499	0.7
81.07055	2.2
83.08606	1.9
84.08141	0.5
85.02896	2.4
87.04022	0.4
87.04472	4.9
93.07023	1.1
95.08591	2.1
97.07198	0.4
97.10128	0.9
100.11221	0.5
100.19905	0.4
102.05465	0.6
103.03904	0.7
103.88521	0.4
105.05490	0.9
107.08617	0.5
109.10146	0.8
111.11667	0.5
112.55822	0.3
113.05997	1.0
121.10132	0.8
131.07030	1.7
135.11655	0.5
144.09181	0.3
144.10194	7.4
148.35966	0.4
154.67122	0.4
162.11270	4.2
218.13910	0.9
223.15498	0.4
232.82213	0.4
236.14931	100.0
237.15279	0.6
268.42511	0.4
438.39450	0.9
463.08932	0.4
482.38431	20.0
500.39490	77.0
501.40057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99940	0.4
53.03953	2.5
55.01875	0.7
55.05507	0.8
67.05513	0.8
69.03425	1.3
69.07096	0.4
69.95310	0.4
70.06606	2.3
71.51694	0.4
72.08156	0.8
79.05489	1.2
81.07054	1.2
83.08610	0.5
84.08128	0.8
84.95491	0.4
85.02903	1.1
86.09717	2.2
91.05486	11.0
93.07050	16.4
93.07646	0.8
95.04966	3.3
95.08595	1.1
97.02898	0.5
103.05468	12.1
105.04504	1.1
105.07008	1.4
107.08599	2.0
109.06485	0.5
109.10150	1.0
117.03358	1.1
119.08595	1.2
120.08096	0.5
121.06510	100.0
121.10130	1.2
122.06865	0.5
123.08076	0.7
127.03940	0.5
129.10213	0.6
131.05048	0.4
131.08548	0.8
133.10190	0.8
135.08112	0.6
135.11688	0.8
137.06000	1.3
137.09596	0.4
145.02872	2.9
145.10135	1.0
147.08017	0.5
147.11703	1.2
149.05939	0.8
151.07585	0.8
157.10037	0.5
159.11707	1.0
161.13246	0.6
163.03972	0.6
163.10994	0.4
167.07014	0.6
171.11705	0.6
173.13234	1.8
175.14754	0.4
177.05493	5.6
185.13362	0.6
187.14784	0.6
189.16524	0.4
201.05470	0.7
226.04962	2.8
229.03685	0.6
235.13345	0.5
243.06572	0.7
244.06056	15.7
270.07654	0.8
301.18039	0.4
311.19977	0.5
315.33472	0.5
339.11160	0.5
364.11798	66.6
364.63269	0.4
365.12128	1.0
455.35638	0.6
465.26147	0.5
483.27240	0.7
501.18289	0.5
501.23312	4.6
501.29660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3212
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
51.61637	0.6
53.88213	0.6
55.05509	1.3
61.02923	0.8
65.72978	0.7
67.05502	2.3
69.07062	2.5
69.15557	6.1
71.83974	0.7
73.29607	0.6
73.82406	0.7
77.07269	0.7
79.05490	2.0
80.23152	0.6
81.07068	6.3
83.08615	1.2
83.70379	0.6
91.03954	0.8
91.05472	2.3
93.07076	4.3
95.08618	4.7
99.89449	0.6
105.07041	11.6
107.08611	6.2
109.06526	1.4
109.10158	2.0
113.55324	0.6
117.07050	0.9
119.08584	8.1
121.10151	6.0
123.11703	1.1
131.08575	4.1
133.10130	4.9
134.67575	0.7
135.08064	1.1
135.11728	2.1
143.08591	2.0
145.10147	6.0
147.11726	4.7
149.09610	1.6
149.13252	0.7
157.10130	2.8
159.10275	0.6
159.11708	3.7
159.12907	0.6
161.09653	1.2
161.13269	30.3
163.11194	9.0
163.14861	2.7
171.11702	4.5
173.13263	3.6
175.14777	1.8
177.12758	1.0
179.14369	1.8
185.13271	6.7
187.14835	7.4
189.12755	24.5
189.16446	0.9
191.14401	0.8
195.00340	1.4
197.13260	1.1
198.37578	0.7
199.14828	1.4
201.16536	0.7
203.14406	1.9
205.15894	16.3
207.13817	8.4
213.16415	2.2
219.17427	1.3
225.16475	0.8
227.18069	0.8
231.13802	1.8
235.13304	8.5
239.18047	1.6
253.19562	1.6
369.24265	1.6
387.25357	10.9
391.29935	7.9
393.31427	1.1
403.40945	0.8
409.31027	37.4
437.30560	3.8
455.31598	100.0
456.31659	1.3
501.32382	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	499.3422
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
53.39702	1.1
55.05513	1.9
57.07049	1.3
67.05491	3.4
69.07069	3.0
69.95194	3.9
79.05493	4.2
80.01500	1.0
81.07053	12.7
91.05459	4.3
93.07054	9.5
95.08613	12.7
99.08125	1.6
105.07039	14.8
107.08597	11.7
109.10153	6.8
111.11687	1.1
117.06989	3.3
119.08593	17.7
121.10152	7.6
123.11729	2.8
131.08578	27.4
133.10115	12.7
135.08047	3.5
135.11656	5.4
143.08542	4.6
145.10123	25.1
147.11708	9.8
149.13240	5.0
157.10147	4.9
158.10881	4.0
159.11702	29.4
161.13255	14.4
163.07500	1.5
163.11185	8.0
163.14839	10.9
165.12807	1.2
169.10127	1.4
171.11662	7.9
173.13275	29.3
175.11212	1.9
175.14824	7.8
175.52217	1.1
175.66531	1.2
177.12729	4.1
177.16385	3.3
178.92499	1.1
179.14359	1.8
185.13193	3.3
187.14836	100.0
189.16386	12.0
191.14204	1.5
191.17955	3.4
197.13345	2.0
201.16362	2.7
203.14301	2.7
203.17961	2.0
205.15894	29.8
207.13812	3.4
207.17419	6.9
213.16324	2.0
215.14319	3.3
215.18024	1.8
219.13785	2.4
219.17407	4.7
231.17400	2.7
233.15401	15.6
233.18999	1.8
235.16931	2.8
245.18840	1.3
247.16953	64.0
267.18622	1.5
375.30396	3.8
393.31561	34.1
421.30789	1.8
435.32529	2.8
439.32043	2.5
451.31860	3.1
453.33688	32.1
481.33377	6.0
499.22733	1.6
499.34152	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	499.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.7
55.01871	7.4
55.05519	32.5
55.43135	3.6
55.44087	3.1
57.03442	45.0
57.07077	11.9
61.02926	25.9
65.03933	7.3
67.05506	92.2
69.03437	54.8
69.07070	37.3
69.41751	21.1
71.01344	4.5
71.05000	16.6
71.08630	3.0
73.02923	15.6
75.04463	4.9
79.05505	29.9
81.03420	72.4
81.06593	6.0
81.07063	100.0
83.04992	10.6
83.08623	23.8
85.02900	51.0
86.09705	6.4
87.04469	6.8
88.03988	4.9
91.03942	11.6
91.05486	29.2
93.07055	32.9
95.04964	5.6
95.08615	81.6
97.02900	37.5
97.06548	8.6
97.10165	13.9
99.04475	25.5
101.02381	6.0
103.03947	44.5
104.10777	5.0
105.06389	3.4
105.07032	14.0
107.08573	23.1
109.02887	44.3
109.06567	3.7
109.10168	33.9
111.04455	5.6
111.08061	5.0
115.03934	6.3
117.05505	3.1
119.08627	16.3
121.10168	17.9
123.11708	11.8
127.03918	53.9
129.05498	8.7
129.07013	3.1
131.08530	5.3
133.10120	15.3
133.27139	3.3
135.11691	12.9
137.13272	4.6
143.08626	4.2
145.04964	10.1
145.10114	5.0
147.11682	10.7
149.13229	10.2
151.14868	4.8
159.06561	4.0
161.13208	9.0
163.14842	8.7
171.06525	6.8
175.14845	7.8
177.16481	4.4
183.06529	21.6
185.13287	4.0
189.16518	4.6
194.99226	3.5
196.68201	3.2
201.07576	9.9
201.13931	4.2
245.22661	12.7
263.21509	3.0
263.23813	24.4
305.24768	6.5
314.27689	5.2
337.27393	71.6
371.25818	5.6
407.28015	30.6
425.23956	3.7
481.31528	12.0
499.32565	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	499.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
60.63508	0.8
64.28966	0.9
67.05505	3.5
69.07068	4.5
69.29863	0.7
70.63914	1.6
79.05500	2.7
81.07054	12.3
83.08627	1.9
86.98919	0.8
91.05496	5.3
93.07059	11.3
95.08614	15.3
98.97601	1.2
105.07038	21.2
107.08602	17.0
109.10159	8.5
117.07024	2.4
119.08592	21.1
119.09380	1.6
121.10157	9.7
123.11711	4.4
123.93137	1.0
129.07002	1.1
131.08545	5.8
133.10139	13.1
135.08090	0.9
135.11691	22.0
137.13277	3.1
142.07768	1.0
143.08594	3.0
145.10129	9.0
147.11693	16.6
147.12808	1.2
149.13266	4.8
155.08621	1.1
157.10133	3.5
159.11703	10.6
161.09647	1.4
161.13266	35.7
163.14890	2.8
169.10155	1.8
170.96494	0.9
171.11671	4.6
173.13313	5.4
175.14864	6.7
177.05530	1.1
177.16454	2.3
179.14406	1.6
183.11690	2.8
185.13278	13.9
187.11208	1.6
187.14833	13.0
189.12784	19.0
189.16385	42.8
191.14357	1.6
191.18007	3.4
195.11642	0.9
197.13319	3.8
199.14856	5.0
201.16457	4.3
203.14363	3.5
203.18010	4.4
205.12373	1.8
205.15898	2.6
207.13811	10.3
209.13432	0.9
211.14912	2.1
213.16454	2.2
215.17943	1.9
219.01859	1.5
219.13914	2.0
219.17435	1.2
223.14877	2.7
225.16383	1.6
227.18112	1.2
231.13921	2.7
235.13274	9.0
237.02890	1.4
237.16411	2.1
239.17935	4.7
245.15358	1.5
251.18024	1.5
267.21140	0.9
311.20328	1.1
322.65198	1.1
333.26001	1.2
335.02991	1.6
371.25839	8.9
375.30508	13.4
393.27792	0.6
393.31537	35.9
421.31070	16.9
435.32657	12.7
439.32101	100.0
453.33682	22.0
499.34302	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	498.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05521	1.5
56.05038	0.2
57.03440	6.4
57.07092	0.3
58.06602	27.5
59.07383	9.3
60.08166	8.8
65.03922	0.3
67.05508	4.9
69.07067	1.8
69.82558	0.4
69.82967	0.7
71.49253	0.2
73.02915	1.0
75.04481	3.4
75.43410	0.2
79.05492	1.3
81.07064	3.9
83.04996	0.5
83.08630	0.7
84.08161	0.7
85.02908	2.3
87.04470	5.0
91.05495	0.6
93.05520	0.6
93.07046	1.1
95.04981	0.2
95.08612	2.5
97.06548	0.3
101.06021	0.4
102.05565	0.3
103.03951	0.7
105.04548	0.2
105.05512	0.7
105.07072	0.3
107.08635	0.4
109.10177	0.8
113.06016	0.6
116.10759	0.3
119.08587	0.4
121.10224	0.3
121.70533	0.2
130.08658	0.2
131.07059	1.9
134.86475	0.2
135.11781	0.2
136.92126	0.3
144.10204	8.6
159.06517	0.3
161.13339	0.2
162.11261	4.5
184.13408	0.2
200.12889	0.3
218.13896	0.9
236.14929	100.0
237.15292	0.4
281.68851	0.2
436.37820	0.5
437.90295	0.3
480.36865	21.9
481.37161	0.3
498.37900	76.2
499.37866	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85607	0.4
53.03953	0.9
55.01874	0.8
56.05020	0.4
56.88466	0.4
61.02929	0.6
61.59120	0.4
62.63639	0.4
63.02373	0.5
69.03436	2.4
69.43466	2.8
70.06599	4.0
71.04983	0.7
72.08162	8.4
72.82487	0.4
72.91502	0.3
73.02896	0.9
79.05505	0.7
81.03427	2.6
84.04504	1.1
84.08150	2.7
85.02914	6.8
86.09738	0.9
87.00826	1.5
89.03912	4.3
89.10798	2.0
97.02881	2.2
98.06084	0.6
98.97607	0.5
99.04442	1.3
105.01863	1.7
107.04953	1.6
109.02887	3.4
110.07169	0.9
114.09174	0.7
115.08701	0.9
117.03380	4.9
118.08649	0.9
118.95185	0.4
120.08113	0.6
126.07635	0.4
127.03931	6.0
129.01872	0.4
129.10254	0.7
131.11790	0.6
135.04422	14.9
136.07581	1.1
137.05988	0.6
145.02855	13.9
145.04877	2.5
147.04428	0.6
147.71034	0.4
159.02878	2.1
163.03915	100.0
164.04239	1.6
167.91141	0.4
175.10817	1.8
177.03911	0.5
177.05475	0.7
184.06885	0.4
187.06026	0.6
213.03999	0.7
231.04996	2.2
232.09651	0.5
234.11293	5.6
247.06145	0.9
251.13925	8.6
271.06030	0.7
289.07104	0.4
302.93713	0.5
303.05130	0.5
337.13879	0.5
437.73663	0.4
438.18082	0.4
455.20212	2.2
482.16623	2.2
499.19223	36.6
500.19794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05501	0.5
56.05031	1.0
57.03426	0.5
57.07082	2.9
58.06580	1.2
59.07387	0.4
60.08167	16.4
67.05505	0.7
69.07076	0.3
70.01371	0.5
70.01767	0.4
71.07376	5.1
71.08634	2.2
81.07057	0.8
83.08610	0.4
85.10190	1.3
86.09710	46.6
94.76065	0.3
95.08602	0.8
97.10205	0.3
98.21504	0.3
98.98487	3.0
103.22557	0.2
104.10747	100.0
109.10148	0.4
110.44920	0.2
125.00010	26.2
163.01575	0.7
181.02591	0.2
184.07347	93.8
258.11124	1.0
258.98187	0.3
291.21231	0.2
306.79010	0.2
313.27246	2.3
478.32986	8.8
496.33981	41.2
497.34381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.5
57.03434	0.3
57.07080	0.9
58.06634	0.6
58.64767	0.1
59.07379	0.2
60.08168	5.9
67.05512	0.2
69.07047	0.2
69.51991	0.5
69.52417	0.4
71.07379	3.0
71.08635	0.4
75.15936	0.1
77.25299	0.1
81.07064	0.2
83.08632	0.1
85.10175	0.2
86.09711	28.8
87.10098	0.1
95.08617	0.3
98.98471	3.1
104.10749	3.0
125.00014	20.0
143.00970	0.2
158.56548	0.1
166.02618	0.1
184.07350	100.0
185.07620	0.3
248.33118	0.1
258.11026	0.2
261.71506	0.1
307.54739	0.1
313.27295	0.2
424.46478	0.1
478.33008	1.3
496.34100	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05484	1.5
56.96578	0.3
57.03444	6.6
58.06602	24.6
59.07385	8.3
60.08165	9.5
61.63093	0.4
67.05515	3.6
69.07038	1.4
69.67789	2.3
70.57632	0.3
73.02921	0.6
75.04482	3.9
79.05499	2.5
81.07062	2.7
82.70471	0.4
84.08112	0.8
85.02880	1.7
86.09680	0.8
87.04467	5.6
87.50311	0.4
90.49314	0.4
91.05450	1.8
93.05506	0.7
93.07043	2.7
95.08620	2.0
102.05541	0.4
103.03921	0.9
104.10723	0.7
105.05470	1.1
105.07015	1.0
107.08580	1.1
109.10168	0.7
113.05985	0.5
118.92121	0.4
121.10123	0.7
130.08553	0.4
131.07037	1.9
133.10124	0.4
136.93129	2.0
144.10202	7.1
154.94173	1.6
157.08925	0.4
158.70145	0.4
162.11273	4.4
170.07202	0.4
172.95200	1.6
184.07329	0.8
210.96779	1.0
218.13824	0.6
228.97803	0.6
236.14937	100.0
237.15369	0.5
319.19489	0.8
337.20508	0.7
346.64157	0.4
455.18967	1.3
473.19711	3.7
478.35300	20.8
496.36368	76.0
497.36676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87114	0.3
53.03948	1.5
55.01874	1.6
55.05481	0.4
57.03422	1.1
58.41458	0.3
60.85902	0.3
60.89574	0.3
61.02936	0.8
62.03151	0.3
68.99777	0.4
69.03436	4.7
70.06595	12.8
71.04980	1.3
71.51181	0.4
72.08157	1.9
73.02908	1.6
77.53634	0.3
79.05499	0.9
81.03420	4.3
83.18727	0.3
84.04489	0.6
84.08133	1.4
85.02910	15.0
85.38625	0.3
86.09726	2.0
87.00830	3.7
87.04469	0.3
87.84412	0.3
89.03918	4.0
91.05475	0.4
95.04982	0.4
95.08562	0.3
97.02895	5.4
98.06033	0.3
99.04467	2.7
100.11244	0.4
100.99200	0.3
105.01202	0.5
105.01875	7.6
105.03387	0.5
107.04961	1.9
109.02885	6.7
110.07160	1.1
112.07585	1.2
112.08733	0.6
116.07071	0.6
117.01887	0.6
117.03396	6.7
117.04218	0.2
120.08097	0.7
127.03923	15.8
129.01852	0.9
129.56355	0.3
133.02867	0.4
135.04422	13.8
137.06004	1.0
145.02866	11.8
145.04958	10.8
147.02887	0.5
147.04343	0.5
151.03909	0.4
152.07069	0.5
155.11911	0.3
157.10826	0.3
159.02896	4.5
163.03912	100.0
164.04239	0.5
164.07018	0.4
167.07059	0.4
177.04054	0.4
177.05473	0.8
183.15025	0.4
201.05435	0.7
207.14046	0.4
213.03989	1.7
225.17134	1.0
231.05000	7.3
232.09659	0.4
243.06464	0.4
247.06078	1.7
249.06107	2.4
250.10736	1.2
253.16685	0.4
271.06070	0.7
382.83044	0.3
393.08240	0.6
401.29031	0.4
411.09119	3.3
415.21735	0.4
429.10321	0.9
480.15192	0.5
498.15869	1.7
498.23190	0.6
498.34000	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3604
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
69.07059	0.5
69.35113	2.7
80.05056	0.3
81.07082	0.4
86.09727	0.3
98.65452	0.3
105.07118	0.3
109.02723	0.4
128.77809	0.3
192.11172	0.4
361.15869	0.4
397.30771	2.7
401.83234	0.3
425.30283	4.2
497.36118	100.0
498.36502	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09162	0.4
69.03421	0.8
69.22711	0.8
69.23133	2.7
70.06570	1.4
72.08135	1.4
79.41921	0.3
81.07030	0.6
84.04506	0.5
84.08126	0.7
85.02889	0.8
86.09698	1.0
89.03893	0.9
91.05447	0.5
97.02912	0.5
98.97594	0.4
105.07043	0.5
110.07153	1.1
117.03379	1.0
120.08104	0.5
129.10229	0.5
131.04916	0.5
136.07565	0.4
137.05974	0.8
143.01718	0.4
145.02805	1.9
149.05966	0.6
161.05960	0.7
167.07082	0.4
177.05513	3.1
207.08708	0.7
219.01799	0.4
237.02698	0.5
245.06369	0.7
249.11154	3.9
252.08105	0.4
267.10846	1.5
271.04407	0.4
287.03842	0.4
289.05350	0.8
291.10947	0.8
305.12405	0.5
309.07895	0.4
309.12003	0.6
351.13196	0.4
411.16238	5.6
436.97174	0.4
453.17273	30.9
497.16214	100.0
498.16666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3451
Annotation	Papuaforin D
Peak:m/z	Relative Intensity
69.07076	0.6
69.22600	5.3
81.07053	0.6
91.05471	2.6
92.05827	0.7
100.00891	0.5
105.25506	0.5
124.93808	0.7
134.07274	1.1
156.96434	1.3
159.10432	0.5
159.11743	0.6
171.32689	0.6
227.79182	0.5
251.67917	0.5
330.18341	0.6
331.18909	2.1
332.19650	0.5
495.34473	100.0
496.34784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66605	0.8
55.05491	0.8
67.59437	0.9
70.20512	2.0
80.15036	0.8
81.07066	0.9
95.08594	1.4
98.21133	1.8
105.41511	0.8
107.67997	0.6
124.93769	1.3
151.22652	0.7
155.07060	0.8
156.96411	2.6
463.21201	0.8
495.24911	4.5
495.34482	100.0
496.34818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1842
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05515	0.6
62.13567	0.3
69.07086	0.4
70.06590	1.5
72.08169	0.7
81.07036	0.7
83.45020	0.3
84.08150	0.9
85.02911	0.8
86.09707	1.3
91.05482	0.4
93.07000	0.4
99.08083	0.6
105.07068	0.4
107.01101	0.4
109.10174	0.6
117.07088	0.3
119.08553	0.4
120.08147	0.4
121.06493	0.5
137.05952	0.8
145.02850	0.6
146.79869	0.3
147.04195	0.3
163.03915	0.4
167.07088	0.5
177.05484	0.9
187.10976	0.5
194.16252	0.6
201.05544	0.4
203.10501	0.6
212.17271	0.4
229.12051	0.9
245.06343	0.6
247.13071	7.7
275.12628	5.2
289.13165	0.3
314.92746	0.4
331.08057	0.6
332.08548	0.4
333.08853	1.1
391.17206	2.8
409.18341	15.0
435.28357	0.3
451.19431	40.3
460.22549	0.4
463.45831	0.4
495.18405	100.0
496.19284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	4.1
56.05039	3.4
56.96562	5.6
60.04523	3.0
61.02935	2.8
67.05492	6.1
69.03431	6.0
69.07069	4.8
69.36818	2.7
70.06593	35.7
71.51340	3.1
72.08173	15.8
78.59850	2.6
79.05501	3.6
81.07051	5.3
83.24090	2.6
83.24550	2.7
84.04501	8.8
84.08147	13.7
85.02907	15.1
85.06505	2.5
85.89857	2.3
86.09712	27.8
91.05502	17.9
93.07055	7.1
95.04982	4.4
95.08625	4.2
98.05987	2.7
98.97586	9.3
99.08089	4.7
102.05573	3.6
103.05470	3.3
105.06998	4.3
107.08641	3.3
110.07177	7.0
115.05480	3.0
116.98623	2.9
117.03376	6.3
119.04971	13.5
120.08129	24.9
121.06490	5.3
123.08058	4.2
123.56801	2.6
127.03944	4.0
127.05043	7.5
129.10248	6.2
131.04962	4.0
133.02859	2.7
133.10078	6.1
135.04358	4.5
135.11678	3.6
136.05168	3.4
137.05989	47.5
143.04916	2.7
145.02887	13.8
147.04364	8.7
149.05983	8.6
151.03918	5.5
151.07553	56.0
152.07063	5.9
153.05415	3.6
158.99664	4.6
161.05988	7.9
162.05547	4.0
163.03920	24.2
163.06253	3.1
164.07094	17.3
166.08636	4.1
167.07095	3.0
168.10156	4.8
173.12856	6.2
175.03850	2.6
176.07068	2.7
177.05499	31.9
177.06897	4.5
187.14276	3.0
193.15947	4.5
194.16209	7.7
205.06461	17.7
219.01721	7.1
222.06865	6.5
222.81110	2.8
223.07631	14.0
233.05991	10.4
237.09103	5.1
239.06995	2.9
246.14880	4.4
250.06227	18.0
250.08665	10.6
251.07065	27.5
263.07007	3.2
265.08673	19.6
267.12463	2.7
268.09750	3.5
274.74869	2.8
277.12134	2.9
278.05695	25.6
278.08264	14.5
279.06491	10.0
283.09653	10.5
285.10101	8.4
293.08066	43.7
293.11017	4.2
295.08426	7.7
296.06720	5.1
299.09149	11.0
300.12427	17.0
310.10727	23.2
311.09119	36.2
312.09158	2.7
328.11835	95.9
333.09674	14.6
401.02783	2.7
406.13193	2.5
451.19339	11.7
459.55185	3.1
473.67209	2.8
478.18985	2.9
495.13943	22.7
495.20950	100.0
495.29803	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	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.01868	0.4
55.05504	1.3
56.05032	1.1
57.03435	0.4
57.07070	0.5
58.06582	1.5
60.08165	17.1
67.05513	1.4
69.07056	1.1
69.66872	1.6
71.07378	7.1
79.05490	1.0
81.07066	1.3
83.08619	0.9
86.09708	50.3
90.73391	0.3
93.07027	1.1
95.08598	0.8
97.06512	1.4
97.10146	0.4
98.20739	0.4
98.98458	3.5
104.10744	100.0
107.08575	0.9
109.10177	0.6
121.10146	1.0
125.00006	27.1
129.05519	0.6
135.11662	0.5
163.01543	0.4
165.82457	0.3
166.06250	0.3
175.59712	0.3
181.02612	0.6
184.07343	94.5
232.54564	0.3
232.61131	0.3
258.11072	0.9
311.25647	0.5
476.31415	9.5
494.32425	37.1
495.32870	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05515	3.1
56.05036	1.1
57.07079	1.1
58.06612	1.4
60.08167	15.4
62.89460	0.5
63.65841	0.5
67.69980	0.5
69.07067	2.7
69.93368	2.4
71.07373	6.5
71.08627	0.6
72.72763	0.5
83.08620	1.9
86.09708	48.7
93.07059	0.7
95.08601	1.0
97.10189	1.2
98.20828	0.6
98.98483	3.9
104.10745	100.0
111.11715	0.4
120.74007	0.4
125.00012	27.8
131.61980	0.5
140.16353	0.5
152.05649	0.5
163.01587	0.8
172.95157	0.6
180.22118	0.5
184.07347	88.0
185.15874	0.5
250.89224	0.6
275.05472	0.6
280.26273	0.5
311.25833	1.7
317.17902	0.6
453.17017	0.9
471.18256	0.7
476.31427	10.2
494.32535	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	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
55.52575	0.1
56.05040	0.5
57.03434	0.2
57.07082	0.2
58.06630	0.4
59.07394	0.2
60.08165	5.9
64.21915	0.1
67.05499	0.4
69.07059	0.6
69.34873	0.6
69.35279	0.2
69.48336	0.1
70.06613	0.2
71.07375	2.9
81.07057	0.4
83.08606	0.4
86.09709	30.2
93.07047	0.2
95.08611	0.3
97.10160	0.2
98.98472	2.7
102.09213	0.2
104.10754	2.9
107.08628	0.2
109.10134	0.1
121.10158	0.2
125.00008	20.9
135.11729	0.2
138.26605	0.1
143.01099	0.1
149.02370	0.2
158.16608	0.1
159.99040	0.1
180.76553	0.1
184.07346	100.0
185.07652	0.3
193.04948	0.2
237.07573	0.4
282.46170	0.1
284.29581	0.2
311.25748	0.3
476.31479	1.2
494.32382	3.7
518.31995	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98278	1.4
53.03942	1.9
55.01851	2.5
56.05014	1.6
69.03423	3.5
70.06592	9.6
71.51375	2.3
72.08152	2.5
79.05482	5.6
81.03405	5.5
83.08582	1.4
84.04492	3.4
84.08129	6.4
85.02895	6.1
86.09721	3.2
91.05478	4.6
95.04970	2.1
97.02925	3.5
101.48744	1.5
103.05469	14.2
104.43460	1.4
105.07038	15.0
105.59478	2.0
107.04962	81.1
110.07185	2.5
112.08762	1.6
115.05455	7.0
120.05747	3.8
120.08132	2.5
123.04443	1.7
124.48481	1.4
131.04926	6.8
133.06503	13.3
135.08063	28.9
137.06010	3.6
140.06816	8.0
145.07584	4.4
149.05949	2.3
152.07042	1.8
161.05997	21.2
163.07556	100.0
167.07048	51.8
180.07857	1.7
181.08603	5.8
193.08623	12.8
195.10175	98.9
211.09720	7.8
213.11090	2.4
223.09598	1.7
276.07205	1.6
279.07495	1.6
291.12360	4.1
310.17603	1.8
383.32675	1.7
409.86099	1.6
483.96234	1.7
493.75616	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
52.80396	0.3
55.05514	1.1
56.05030	1.2
57.03435	0.4
57.07076	0.4
58.06348	0.3
58.06620	1.0
59.07420	0.3
60.08165	12.4
67.05498	1.4
69.07064	1.9
70.06587	0.5
70.93462	0.5
71.07370	5.1
79.05483	0.4
81.07028	1.4
83.08622	1.0
86.09705	40.8
89.54785	0.3
93.07051	0.8
95.08622	1.0
97.10212	0.4
98.34357	0.4
98.98459	3.5
104.10743	58.4
105.07070	0.4
107.08635	0.4
109.10217	0.4
121.10182	0.4
122.05908	0.3
125.00003	25.7
135.11679	0.5
149.02322	0.6
154.20566	0.3
163.01558	0.5
184.07339	100.0
185.07736	0.4
193.04962	0.8
237.07532	0.5
258.11026	0.6
284.29568	0.4
311.25784	1.0
417.23953	0.4
476.31323	5.9
494.32404	23.2
495.32639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05511	0.3
57.03437	1.0
57.20473	0.3
67.05488	0.6
69.03429	3.2
69.07072	15.1
69.46139	1.3
69.46559	0.7
70.06591	0.3
71.01352	0.4
71.04998	0.6
72.79234	0.3
76.12904	0.3
81.03426	4.9
81.07039	0.6
85.02901	0.5
86.09710	100.0
87.08103	1.9
91.05479	0.9
93.07042	0.3
95.08584	0.7
97.02921	0.2
99.04465	2.6
105.01907	0.3
107.04968	0.5
109.10168	0.5
117.03375	0.6
117.05497	1.6
120.08138	0.3
121.06492	0.8
132.10207	4.9
135.06529	2.3
136.07584	0.3
137.06030	0.5
145.02834	1.0
145.04967	4.2
145.06042	0.5
146.03169	0.3
151.14862	0.4
163.03955	0.6
163.06055	1.0
167.07076	0.5
173.15407	3.3
177.05484	1.6
178.05830	0.5
181.06540	0.3
193.15936	0.7
211.16864	0.5
229.14317	2.1
248.15016	0.4
259.11749	0.8
277.12891	2.7
301.10767	1.0
345.19186	0.3
362.21820	0.6
373.18628	3.0
380.22632	0.6
391.19638	0.8
417.87601	0.3
424.83694	0.3
476.17319	0.6
476.28580	6.2
494.18015	0.8
494.29587	32.7
495.22128	0.3
495.29260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01857	3.5
55.05506	6.1
57.16074	1.5
61.02906	1.9
65.01758	1.6
67.05502	6.7
68.04922	1.5
69.03438	13.8
69.07081	2.7
69.46987	10.5
70.06584	4.9
71.04986	4.9
72.08148	2.6
73.02910	2.6
79.05501	1.9
80.76691	1.5
81.03423	8.3
81.07050	7.4
83.04974	3.8
83.08608	5.4
84.14511	1.5
85.02913	21.4
85.06548	9.9
86.09711	3.1
87.00849	7.8
91.05495	2.8
93.07041	8.2
95.04975	7.8
95.08611	19.4
97.02874	7.3
99.04452	7.4
99.08101	72.7
101.06017	3.8
105.01855	9.0
105.07050	2.5
107.08585	11.8
109.02854	7.7
109.10165	24.0
111.08057	3.0
113.09657	1.6
117.03372	1.7
119.08560	6.5
121.06480	3.6
121.10151	6.7
123.11681	5.0
125.09622	3.7
127.03910	14.7
133.10149	14.6
135.11714	17.5
137.05968	5.3
137.09625	9.3
138.06378	2.2
142.63623	1.6
145.04993	7.9
146.23128	1.7
151.14818	4.6
153.12750	5.5
155.10698	14.1
159.02904	4.8
175.14830	7.8
177.05490	3.5
193.15883	39.1
202.05894	2.5
211.16936	100.0
216.74687	1.7
229.17984	2.8
231.04956	3.7
275.80225	2.1
331.08051	2.1
332.08472	5.5
423.19977	1.8
440.29416	1.6
459.22272	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	494.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	0.3
51.02377	0.7
53.03948	2.7
56.41729	0.3
57.03441	7.0
63.58854	0.3
69.03422	0.6
69.07069	1.5
69.68685	1.9
70.06590	0.6
71.95273	0.4
73.02918	1.0
77.03940	1.0
79.05494	9.3
80.05914	0.3
81.03413	0.8
83.08592	0.3
84.08129	0.5
85.02909	3.3
86.09716	7.9
91.05476	0.4
93.07026	0.7
95.01324	0.9
95.04959	3.2
95.08593	0.3
103.19765	0.3
105.03394	84.9
113.02361	1.1
120.08141	0.8
121.06517	0.8
123.04436	14.7
131.03429	0.4
137.05989	0.5
141.01843	1.6
145.02835	0.6
145.04962	0.6
164.07085	0.5
177.05502	1.4
179.07037	100.0
180.07393	0.7
181.89638	0.3
224.79945	0.4
277.22766	0.4
281.06543	0.4
283.09683	4.8
301.10837	2.0
329.10071	0.4
331.22275	0.3
355.10269	3.0
373.18579	0.4
373.29504	0.4
374.61963	0.3
476.28726	0.7
494.18024	0.5
494.29553	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99007	0.3
55.01869	0.4
56.18146	0.3
59.54286	0.3
62.06120	0.3
69.03429	0.5
70.06599	3.5
71.04990	0.2
71.51781	0.6
71.52142	0.3
71.74227	0.3
72.08167	1.7
84.04498	0.5
84.08149	1.1
85.02912	0.9
86.09710	2.1
87.05577	0.4
89.03918	0.4
91.05472	0.4
92.04653	0.3
93.13706	0.3
98.97593	0.4
101.07103	0.3
103.05473	0.3
105.07040	0.5
110.07177	0.4
117.03369	1.0
120.08082	2.0
122.09637	0.3
127.03941	0.4
129.37854	0.3
131.04961	0.3
133.06462	0.4
136.07523	0.4
137.05966	0.8
138.09219	0.4
145.02843	1.7
161.06001	0.9
162.06696	1.1
166.08643	0.4
171.20180	0.3
177.05490	2.9
177.10178	0.4
186.12514	0.4
199.03595	0.3
213.12375	0.4
215.05238	0.8
233.06320	0.6
246.11276	3.0
283.12042	0.4
284.09055	0.5
297.11365	0.5
300.10822	0.3
302.10016	6.8
332.15051	0.9
344.10916	0.3
374.12048	1.9
400.13675	9.4
415.23236	0.3
418.14804	0.8
448.15881	0.5
476.15244	4.0
485.77890	0.4
494.16364	100.0
495.16620	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2812
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03955	0.2
55.05514	3.7
56.05074	0.2
57.05815	0.6
71.21229	0.4
72.08160	45.3
72.75703	0.2
85.83260	0.2
91.05508	0.5
93.07040	0.6
100.07634	0.3
103.05468	2.2
104.10711	0.2
105.07030	0.3
120.08112	100.0
121.08447	0.6
126.12804	0.5
130.06512	0.2
140.67252	0.2
171.14946	7.4
174.12782	2.9
199.14427	7.6
219.14938	18.6
222.12724	0.9
229.13425	0.3
247.14445	21.0
267.14917	8.0
273.19614	1.2
295.14435	13.2
296.14648	0.2
301.19110	4.1
321.19540	0.8
328.20383	0.2
346.21268	8.7
349.19202	2.2
353.38055	0.2
366.21552	0.4
394.21283	7.7
422.20209	0.2
448.26105	1.1
465.28818	1.3
493.28073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1342
Annotation	Lagotiside
Peak:m/z	Relative Intensity
53.03920	1.6
55.01887	1.3
57.04737	1.1
59.49784	1.1
63.24514	1.2
68.99807	1.5
69.39702	6.2
69.40131	4.2
70.06586	3.1
72.08144	1.5
79.05482	1.8
81.07042	1.8
85.02888	1.6
86.09681	1.7
89.03922	3.2
91.05479	4.6
92.05804	1.7
93.07031	2.9
95.08613	1.6
97.02907	2.1
105.07054	1.6
107.08613	1.2
117.03391	9.1
118.03713	3.4
120.08073	1.3
121.06487	11.0
122.06857	2.9
127.00208	1.5
131.04929	7.5
133.02939	1.2
134.03589	1.4
135.04308	1.5
137.05989	10.7
138.06323	3.2
145.02867	16.1
145.06497	1.6
146.03198	7.0
148.05199	2.0
149.05969	4.3
165.09122	2.2
167.07050	1.4
168.00574	16.2
175.04007	1.4
175.07541	2.5
177.05481	38.5
178.05823	15.4
183.02867	3.6
185.00827	2.4
186.01620	6.9
201.05313	6.5
202.05798	3.1
270.29303	1.4
298.04700	7.5
301.03268	2.2
316.05853	10.3
331.08139	100.0
339.14105	2.9
356.12073	2.1
426.53668	1.5
475.13181	1.6
475.19308	5.0
493.20767	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1339
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
55.01863	0.2
55.05494	0.2
56.02647	0.1
56.05024	0.2
58.94808	0.1
61.02896	0.1
61.46861	0.1
68.99793	1.0
69.03425	0.4
69.07047	0.1
70.06316	0.1
70.06590	1.1
71.01345	0.1
71.02720	0.1
71.03033	0.2
71.04985	0.1
72.08134	0.6
79.05505	0.2
81.03420	0.3
81.07059	0.1
83.06047	0.1
84.02116	0.3
84.04499	0.3
84.08138	0.6
85.02902	0.7
86.09692	0.8
87.00830	0.1
91.05465	0.4
93.07044	0.2
95.08571	0.2
97.02891	0.4
99.00814	1.5
99.04427	0.1
102.05502	0.1
102.96870	0.1
103.05442	0.2
105.01848	0.3
107.04955	0.2
109.02863	0.2
110.07119	0.2
112.01588	1.2
114.20094	0.1
117.03431	0.1
119.04937	0.2
120.08109	0.9
121.06490	0.5
121.10145	0.2
123.00809	0.1
125.02354	0.1
127.00274	1.3
127.03917	0.4
129.10249	0.3
131.04926	8.1
132.05663	0.1
133.02858	0.2
133.10133	1.8
134.03670	0.7
134.10445	0.9
135.04366	0.6
136.07553	0.2
137.02295	0.1
137.05995	0.6
139.00243	0.3
140.01051	0.8
145.02826	0.4
145.04951	0.3
145.06459	0.2
148.05180	3.0
148.68211	0.1
149.06000	1.1
153.01775	0.4
154.99733	0.5
159.03180	0.1
159.04440	0.5
160.01750	0.1
163.03879	0.3
165.01898	0.2
166.99788	0.8
168.00539	19.0
169.01295	0.4
173.05983	0.2
173.13264	0.4
174.13640	0.3
175.03893	0.8
177.05470	0.8
178.05852	0.3
179.03346	0.2
182.02098	0.6
183.02882	4.1
183.04309	0.2
185.00795	1.5
185.16444	0.2
186.01593	8.7
191.14310	0.3
192.14650	0.2
197.05933	0.2
200.03061	0.2
200.04703	0.5
201.05446	0.4
202.05833	0.3
209.15381	0.1
214.06262	0.5
215.06776	0.2
219.14944	0.2
225.05412	0.8
227.03180	0.8
228.04143	0.4
239.03368	0.2
242.05695	0.6
243.06464	0.2
245.04491	0.4
252.04176	0.1
255.02975	0.2
255.11287	0.2
256.03687	0.6
269.04477	0.7
270.05191	0.9
271.06006	1.0
273.03949	1.0
275.09146	0.3
280.03809	0.2
281.04361	0.1
283.02423	0.4
283.10745	0.3
284.03183	1.5
297.03989	0.6
298.04715	8.8
299.05405	0.8
301.03421	2.6
303.08606	0.2
313.07117	0.3
315.05038	0.6
316.05765	10.8
317.06128	0.2
331.08102	100.0
332.08426	0.9
356.12143	0.1
475.17392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1344
Annotation	Betuletol 3-glucoside
Peak:m/z	Relative Intensity
53.03920	0.2
56.05002	0.2
67.05493	0.2
68.99790	0.8
69.03404	0.3
69.07069	0.2
69.65893	0.5
69.66307	0.6
70.06581	0.7
72.08127	0.2
74.46811	0.2
78.39958	0.2
79.05502	0.2
81.03420	0.3
81.07050	0.2
84.04476	0.3
84.08136	0.4
85.02895	0.6
86.09706	0.9
91.05486	0.7
93.07025	0.6
95.04946	0.2
95.08659	0.2
99.00818	1.1
103.05458	0.7
107.04979	0.2
112.01583	0.9
113.15921	0.2
117.03349	0.2
119.05000	0.3
119.11777	0.2
120.08086	0.4
121.06519	1.2
122.06849	0.5
127.00253	1.1
131.04933	7.3
134.03627	0.8
135.04404	0.5
137.05981	2.8
138.06334	1.2
139.00266	0.4
140.01033	0.6
145.02852	0.4
145.04901	0.2
145.06500	0.2
147.04410	0.2
148.05220	2.6
149.05992	0.7
153.01868	0.2
154.99753	0.4
157.06424	0.2
159.04382	0.5
160.05151	0.2
161.05934	0.4
163.03778	0.4
164.22067	0.2
166.99748	1.1
167.07095	0.2
168.00552	16.6
169.01283	0.3
173.05980	0.3
175.03944	0.7
175.07527	0.8
176.07884	0.7
177.05458	0.6
182.02061	0.4
183.02913	3.9
183.04509	0.3
185.00810	1.6
186.01605	8.2
187.07574	0.2
200.04715	0.4
200.09383	0.2
201.05516	1.2
202.05849	0.7
205.08646	0.2
206.08919	0.2
214.06204	0.4
225.05522	0.5
228.04239	0.3
229.04739	0.2
232.53168	0.2
239.03687	0.2
242.05811	0.7
243.06621	0.2
245.04390	0.3
255.02942	0.2
256.03549	0.4
259.09772	0.2
269.04535	0.4
270.05222	0.7
271.06094	1.0
273.03970	0.5
275.09183	0.4
283.02234	0.4
284.03094	1.1
297.04056	0.5
298.04742	7.2
299.05515	0.6
301.03421	2.6
312.12927	0.3
315.04984	0.6
316.05780	10.0
330.53842	0.2
331.08127	100.0
332.08469	1.1
355.11838	0.3
356.11798	0.4
493.20642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.01864	12.0
55.05505	8.3
57.03419	6.4
61.02920	6.4
67.05505	35.8
69.03435	41.9
69.07056	10.4
69.28455	16.2
70.06583	7.0
71.04977	8.7
72.08148	5.5
72.97122	2.2
73.02911	7.5
79.05486	21.7
81.03418	24.2
81.07059	60.6
83.04969	2.6
83.08605	5.2
84.08147	4.1
84.25710	2.2
85.02906	90.4
85.06545	16.6
86.09722	6.4
87.00835	39.4
91.05485	17.9
93.07047	61.4
95.04959	5.7
95.08613	65.2
97.02900	25.2
97.06493	4.2
99.04442	12.2
99.08103	28.0
103.05479	5.7
105.01876	35.0
105.07030	14.4
107.04916	3.2
107.08594	37.6
109.02882	29.6
109.10160	33.9
111.08089	7.7
113.09675	11.3
117.01870	3.6
117.03381	6.5
117.07012	4.4
119.08599	6.6
120.08121	3.5
121.06507	26.4
121.10153	14.9
125.09637	2.6
127.03929	52.9
129.01862	4.4
131.04982	2.8
131.08549	13.7
133.02850	3.0
133.10149	12.8
135.08047	8.6
135.11671	3.2
137.05988	19.2
145.02870	17.5
145.04947	13.8
145.10152	3.1
147.11694	26.5
149.05974	4.6
149.09601	4.8
149.13261	100.0
150.05458	3.3
150.30954	2.8
151.07526	3.0
153.09106	8.3
159.02896	10.3
161.06017	3.9
162.05554	3.0
163.03920	2.6
163.11171	3.8
163.14833	37.9
164.07123	3.2
165.09143	2.8
167.07033	2.8
167.14233	2.3
173.13284	29.1
175.07594	3.6
177.05489	38.7
181.15790	3.4
187.07501	2.9
191.14305	49.1
191.15878	4.2
201.05441	4.1
209.15381	68.3
213.04004	2.4
227.16438	29.4
231.04965	10.2
235.07509	2.6
237.09238	3.1
249.06140	2.7
265.08502	3.6
307.09641	3.3
309.11154	3.4
311.12762	2.9
325.10550	7.0
414.67050	2.4
424.03339	2.8
492.20261	23.0
492.26309	4.2
492.36343	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	493.1345
Annotation	Malvidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.96054	0.3
53.03943	0.7
55.01862	0.6
56.96555	0.4
57.03418	0.8
61.02917	1.5
67.05479	0.4
69.03432	3.1
70.06595	1.7
70.45965	0.4
71.04981	0.6
71.07505	0.6
72.08155	0.6
74.49857	0.3
79.05470	0.5
81.03430	2.0
81.07027	0.5
84.04488	0.4
84.08127	0.7
85.02912	8.2
86.09698	1.4
87.04440	0.4
88.45059	0.3
89.03910	0.5
91.04947	0.4
91.05478	1.5
93.07030	0.8
95.04980	0.7
97.02888	2.9
99.04449	0.6
103.05511	0.4
105.07029	0.7
107.04957	0.7
108.85431	0.3
109.02884	1.0
109.10098	0.5
117.03373	1.0
117.07082	0.4
119.04954	0.7
120.08098	1.1
121.06541	2.2
122.06834	0.8
123.04453	0.4
127.03922	1.2
127.51451	0.4
130.34027	0.3
131.04897	0.4
133.02811	0.4
133.10112	0.3
133.50096	0.3
135.04420	0.7
137.02354	0.6
137.05965	2.7
139.03909	3.1
145.02907	1.7
145.04973	1.2
146.03226	0.5
147.04430	0.7
151.07555	0.7
153.01814	2.6
161.05952	0.3
163.03943	0.9
163.07483	0.3
165.01836	1.7
165.05472	1.3
167.07120	2.0
173.06036	0.6
175.02507	0.4
177.05493	3.4
178.05864	1.8
183.02946	0.4
191.07001	0.4
194.02122	0.7
201.05479	3.0
202.05797	2.1
205.08742	0.4
228.18646	0.4
235.07332	0.4
241.05003	0.4
242.89020	0.5
243.06670	0.5
245.04701	0.4
269.04419	1.2
270.05255	1.0
271.06189	1.7
275.09363	0.4
287.05524	5.5
297.03998	0.9
298.04776	2.1
299.05496	2.5
300.06430	0.6
301.03452	0.7
302.04242	0.8
306.08499	0.6
313.02890	0.4
315.04990	16.9
316.05881	3.8
326.11288	0.5
331.08133	100.0
332.08478	0.9
338.11023	0.5
355.11740	0.7
356.12180	2.0
387.14114	0.5
415.13568	0.4
475.19592	0.4
493.20743	2.7
506.47778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	20.9
57.03418	4.5
57.07080	9.4
59.04999	12.1
67.05508	43.6
69.07070	43.7
70.11430	14.4
71.04982	12.5
79.05497	36.6
81.06603	5.1
81.07059	100.0
83.04976	6.0
83.08624	22.5
85.06530	6.7
91.05487	43.1
93.06491	5.1
93.07048	80.6
95.04966	7.7
95.08009	5.1
95.08606	83.3
97.06534	9.1
97.10184	9.5
98.20953	7.8
98.98505	4.4
105.07039	79.6
107.08597	74.5
109.06509	12.0
109.10162	94.6
111.08068	11.2
111.50534	4.1
113.09659	4.7
113.86328	4.8
117.07011	11.8
119.08587	75.3
121.10145	77.0
123.11716	29.7
131.08557	22.5
133.10133	50.2
135.11719	35.3
137.09592	15.3
137.98497	4.6
143.08548	9.7
145.10109	32.0
147.11699	49.7
149.13261	27.4
151.11151	18.2
157.10150	9.9
159.11685	35.3
161.13263	30.8
163.11157	5.5
163.14815	15.2
165.12732	5.5
171.11662	11.2
173.13274	22.6
175.14836	16.0
177.16351	13.3
183.11681	4.7
185.13263	14.2
187.14825	17.5
189.16399	15.1
191.14317	5.8
199.14783	10.6
201.16353	12.1
203.17953	10.3
205.15733	4.0
213.16460	9.7
215.17938	17.3
227.17992	9.7
229.19518	7.4
241.19618	7.9
322.53076	4.2
367.29730	8.4
385.30927	9.3
492.20499	6.8
492.31128	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
55.01876	1.0
55.05509	3.3
56.05018	1.4
56.71984	0.7
56.96569	3.4
57.03431	1.6
57.07080	0.9
60.04516	1.0
61.02900	0.7
65.03935	0.7
67.05494	2.0
69.03425	5.5
69.07066	2.5
70.06216	0.8
70.06596	14.7
71.04987	2.1
71.06933	0.9
71.52319	0.8
71.52720	0.9
72.08158	6.1
73.02896	1.0
79.05492	3.4
79.05856	0.6
81.03426	4.0
81.07062	5.6
82.37972	0.7
83.04999	1.2
83.08614	2.2
84.04489	2.0
84.08150	8.7
84.96046	1.6
85.02429	1.2
85.02902	10.1
85.06523	1.9
86.09702	9.1
87.00837	6.6
87.05621	0.6
87.10027	0.7
88.03983	0.9
89.03403	1.0
89.03915	8.8
89.63127	0.6
91.05480	6.2
93.07048	5.7
95.04979	6.7
95.08615	4.0
97.02885	3.8
97.06548	5.6
98.97601	6.7
99.04455	2.6
99.08087	1.9
99.97939	0.6
103.05476	1.9
105.01862	5.9
105.07042	9.0
106.04181	1.1
107.04967	0.9
107.08613	6.0
109.02880	2.9
109.05802	1.1
109.06515	12.8
109.10135	4.9
110.06018	0.9
110.07168	1.6
110.09678	1.0
110.97584	2.1
111.08091	1.5
112.99131	0.8
113.09594	0.8
114.09097	0.7
115.05453	0.7
115.07536	2.4
115.08690	1.0
116.07088	1.8
116.98618	2.1
117.03388	22.2
119.04953	1.6
119.08575	5.4
120.08110	6.1
121.06502	4.6
121.10138	9.2
123.08051	3.6
123.11710	1.8
125.05989	0.6
125.09621	1.7
127.03928	5.8
127.07535	0.6
128.98598	2.1
129.06731	0.7
129.10233	5.2
130.05009	0.7
131.04852	0.9
131.08575	4.8
132.10214	0.8
133.02850	2.5
133.10141	25.2
134.03621	1.6
135.04405	1.7
135.08044	4.2
135.11671	0.9
136.07539	1.7
137.04260	0.7
137.05974	5.7
137.09641	1.7
139.11179	1.0
143.08548	0.9
145.02850	50.2
145.04959	2.6
145.10165	3.3
147.11688	11.4
148.07423	1.0
149.05994	8.5
149.09570	0.8
149.13278	3.0
150.59674	0.6
151.07547	1.6
151.11188	2.2
153.09087	4.4
158.06061	0.8
158.10828	1.5
158.99756	1.4
159.99977	0.9
161.01218	0.8
161.05885	1.0
163.03897	2.0
163.14806	1.9
165.12770	4.1
166.08638	1.3
167.07008	1.3
167.14384	0.7
170.99710	0.8
171.10188	0.9
173.05923	0.6
173.13272	15.8
175.07506	0.7
175.14871	1.4
177.05476	100.0
178.05853	1.4
186.05562	1.5
191.14311	23.5
201.05498	3.2
209.15370	35.2
219.01735	2.4
220.02100	0.9
225.14992	0.7
227.16420	43.0
231.04974	1.4
237.02843	2.7
250.10696	0.9
263.10406	0.7
263.13925	0.9
268.12967	1.5
269.77679	0.7
285.13666	0.9
286.14087	1.6
293.08313	0.7
309.13675	0.9
310.14026	1.5
316.15466	1.3
318.18256	0.8
325.10608	1.4
330.13507	1.2
355.11896	1.2
363.30396	0.7
366.09872	0.9
372.70932	0.7
412.17346	3.2
439.19434	1.5
474.12143	0.7
492.12878	20.1
492.19672	3.6
492.30606	5.6
493.16119	1.5
510.13629	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03949	3.0
55.01873	2.7
55.05506	1.1
56.18227	0.5
56.96560	0.6
57.03431	1.9
57.07086	4.9
61.02915	1.8
67.05506	4.5
68.99773	0.7
69.03086	0.8
69.03434	10.3
69.07075	2.9
69.62035	1.3
69.62457	2.1
70.06584	0.6
71.04997	1.3
71.08613	0.7
73.02915	1.9
75.04486	3.0
77.03937	0.7
78.40807	0.5
79.05498	34.6
81.03426	7.6
81.07063	7.9
83.08611	1.1
83.38558	0.5
85.02910	28.9
86.08908	0.5
87.00836	11.5
91.05481	5.5
93.07050	40.8
95.04954	1.8
95.08612	2.6
97.02900	9.0
97.06519	1.6
98.97598	2.7
98.98138	0.6
99.04458	4.0
105.01200	0.9
105.01876	15.0
105.04555	0.7
105.07063	2.9
107.04970	2.0
107.08601	23.1
108.04490	1.2
109.02884	9.5
109.06520	0.9
109.10159	0.9
116.98615	1.0
117.03452	0.5
117.07001	2.5
119.08561	2.4
120.08102	0.5
121.06493	3.9
121.10156	4.9
126.05527	1.1
127.02980	0.8
127.03928	16.6
129.01865	1.0
131.08549	1.8
132.55362	0.5
133.10139	6.6
135.08040	2.1
135.11696	64.7
137.05965	1.5
139.07545	8.7
141.09105	0.8
145.02831	1.5
145.04970	7.7
147.02882	0.6
147.11618	0.7
149.13264	34.8
153.09100	3.5
153.12701	1.0
158.99686	1.1
159.02893	3.1
159.11717	4.0
161.13232	0.6
167.10706	1.1
167.14307	0.9
177.05479	1.9
177.12761	32.0
186.44818	0.5
189.03865	1.1
191.02289	1.0
195.13814	1.2
201.05504	1.1
208.86852	0.5
209.15373	100.0
210.15677	0.5
213.00758	0.5
213.03847	0.9
220.70956	0.5
221.15297	0.7
227.16403	1.8
231.05026	4.7
244.99733	1.3
249.06038	2.0
290.10995	1.1
320.12344	0.5
325.10858	1.1
337.10944	0.7
369.13214	0.5
462.18610	0.6
492.25763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
53.04170	0.6
55.01866	2.8
55.05505	1.6
56.05037	1.3
57.03429	1.6
60.04519	0.8
61.02948	1.4
65.94115	0.6
67.05498	1.2
68.99773	1.3
69.03428	8.0
69.07082	1.4
69.76971	0.7
69.86026	1.2
69.86387	3.1
70.06599	11.5
71.04990	2.0
72.08145	4.7
73.02925	1.8
74.06097	0.8
77.03915	0.7
79.05483	1.7
81.03419	7.7
81.07054	1.5
83.01341	0.7
83.04970	1.3
84.04507	2.7
84.08151	6.6
85.02911	20.1
85.06533	1.3
86.09708	8.1
87.00839	7.8
87.04481	0.7
89.03905	2.3
91.03999	0.8
91.05488	9.8
93.07048	6.3
94.04192	0.7
95.04951	1.9
95.08616	6.8
97.02900	9.5
97.06533	2.7
98.97572	1.6
99.00803	1.4
99.04445	4.2
99.08105	1.8
102.05507	1.1
103.05469	4.4
105.01875	10.2
105.07048	6.9
107.04967	1.4
107.08616	5.1
109.02888	7.1
109.06507	1.1
109.10150	2.2
110.07156	2.7
112.11282	0.9
115.05489	1.5
115.08715	1.1
116.07043	0.8
117.03398	4.7
117.07002	1.7
118.04127	0.7
118.07814	0.8
119.04234	0.6
119.04946	4.1
119.08570	3.0
119.20912	0.7
120.08114	4.2
121.06522	13.5
121.10162	5.3
122.03654	0.8
123.08055	0.9
125.09701	0.8
126.05548	0.7
127.00288	1.8
127.03927	14.6
129.10233	3.1
131.04932	6.6
131.08589	4.6
131.50763	0.7
133.02885	3.9
133.10138	100.0
134.03659	0.7
134.10487	0.8
135.04433	2.0
135.08083	1.9
135.11682	1.2
136.03995	0.9
136.06163	0.8
136.07603	1.6
137.05986	13.7
138.09070	0.6
143.08543	1.9
145.02870	10.8
145.04977	5.9
145.06421	1.3
145.10129	2.5
147.04457	4.0
147.11664	1.8
148.05193	1.7
149.06018	3.8
149.09627	1.9
149.13229	1.7
150.06720	1.7
151.03903	0.8
151.11195	4.2
158.03708	1.7
158.10939	3.8
159.02957	3.1
161.06006	2.3
163.03926	2.9
163.14807	3.2
164.07100	1.2
165.01895	1.0
167.07045	2.1
168.00552	11.9
170.01689	0.6
173.05983	3.7
173.13271	27.4
175.03874	4.1
175.07510	1.2
177.05473	17.6
179.07034	1.2
183.02924	2.9
185.00890	1.3
185.16446	0.8
186.01610	6.4
186.03093	1.4
191.14313	25.6
195.41605	0.8
201.05486	25.9
209.15413	14.8
213.03775	0.8
227.16458	2.9
231.04808	4.6
233.06018	1.3
234.06807	1.3
249.05939	1.5
249.08958	0.9
250.06241	0.8
262.06396	0.9
265.08615	1.3
277.08627	1.3
279.50827	0.7
284.03006	0.9
290.05960	1.4
293.08231	2.0
294.08981	0.9
298.04758	5.2
301.03510	1.4
305.08157	1.8
312.02185	1.5
316.05814	7.1
325.10718	4.2
330.06891	1.1
330.19647	0.7
331.08139	65.2
337.10767	1.8
338.13773	0.9
355.11810	12.5
355.79883	0.8
371.73401	0.7
426.39694	0.7
460.54736	0.7
462.19113	0.8
472.23474	0.8
474.07550	0.9
483.68954	0.7
492.11722	1.3
492.20258	14.4
492.29919	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01872	2.3
55.05503	3.8
57.03429	1.9
57.07088	1.3
61.02918	0.9
67.05505	5.0
69.03442	8.0
69.07081	4.9
69.87444	4.9
70.06590	8.4
71.04994	7.8
72.08150	7.9
73.02960	2.1
79.05500	14.0
81.03430	5.5
81.07061	12.6
82.13045	0.9
83.05000	5.3
84.04482	2.6
84.08145	3.2
85.02913	14.2
85.06544	1.2
86.06042	1.2
86.09707	4.2
87.00842	6.1
87.04483	1.8
89.03922	4.2
89.73694	0.9
91.05486	12.4
93.03371	1.3
93.07046	12.3
95.04971	11.1
95.08633	3.6
97.02898	8.1
97.06529	2.9
98.97559	1.2
99.04458	4.4
101.07117	1.4
103.05466	2.0
105.01870	5.9
105.07030	14.9
107.04939	5.0
107.08604	27.4
109.02895	5.6
109.06527	20.0
109.10178	5.9
110.65298	1.0
111.04447	1.1
111.08093	1.6
112.80871	1.0
115.05489	1.5
116.07056	1.1
117.03383	8.0
117.07028	1.8
119.04955	1.1
119.08591	8.1
120.08099	3.7
121.06526	17.6
121.10147	13.7
122.03661	1.1
123.04515	1.1
123.08102	2.1
123.11729	1.8
125.06021	1.7
125.09612	1.6
127.03916	10.1
129.01813	1.0
129.10255	2.1
130.06493	1.1
130.07770	1.7
131.04942	2.3
131.08577	67.0
131.85132	1.1
133.06581	1.1
133.10135	27.6
135.04425	1.7
135.08061	4.3
135.11713	3.3
136.07611	2.8
137.05984	11.0
138.09178	1.3
139.11174	4.4
143.08565	2.0
145.02861	26.7
145.04950	5.1
145.06474	1.3
145.10121	17.2
147.08037	2.1
147.11679	3.1
149.06012	5.9
149.09639	21.0
149.13239	7.9
151.07550	1.7
151.11165	1.3
153.05482	4.2
153.09167	5.3
155.08229	1.1
158.10892	2.4
159.02878	3.0
160.05190	1.4
163.03932	2.4
163.07585	1.1
163.11191	8.6
164.07062	1.8
165.09085	3.5
166.08607	0.9
167.07034	5.1
167.10635	1.2
173.13306	15.2
175.07530	1.7
177.05486	40.4
179.06984	1.5
181.08644	1.4
183.11220	1.3
191.07039	1.8
191.10683	17.2
191.14305	29.3
192.06473	1.7
192.07918	1.6
201.05476	6.6
204.06651	1.5
205.08600	1.7
209.08286	16.5
209.11748	100.0
209.15138	15.4
210.08832	1.2
210.12186	1.1
213.15826	1.0
219.01764	1.5
227.16469	2.9
228.13765	0.9
231.04918	1.6
237.02913	1.3
237.09128	1.1
279.10284	1.2
293.08240	1.2
309.11127	1.3
311.12936	2.1
330.13766	1.7
355.11740	3.9
367.11688	2.4
492.12396	1.6
492.18872	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	492.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.01878	0.8
55.05510	1.4
56.05032	1.4
57.03430	1.4
57.07084	1.0
58.99582	1.3
59.04999	0.7
60.04536	0.7
61.01157	0.5
61.02919	0.8
62.14166	0.5
67.05503	1.8
69.03432	33.8
69.07076	3.5
69.96011	1.5
70.06600	6.0
71.04994	1.3
72.08160	3.9
73.02892	0.5
74.06065	0.5
76.02229	3.2
79.05484	2.1
79.13672	0.5
81.03418	1.8
81.07061	4.3
83.04992	2.7
83.08578	0.6
84.04498	1.8
84.08176	2.5
85.02434	0.8
85.02908	9.0
85.06551	1.9
86.06113	0.7
86.09716	3.0
87.04447	0.6
87.05638	0.5
88.04005	0.8
91.03983	0.4
91.05457	2.3
93.07044	4.0
95.08609	6.1
97.02899	3.3
97.06536	2.7
98.06128	0.7
99.04449	1.2
100.68421	0.5
103.05489	0.6
104.05318	1.7
105.00090	1.2
105.07037	2.9
107.04946	0.9
107.08598	10.1
109.02897	1.0
109.06498	4.4
109.10172	2.2
110.07185	0.9
111.08086	2.1
116.07073	1.0
117.03346	0.6
117.07053	0.8
119.08582	3.5
120.08085	3.1
121.06519	1.7
121.10148	11.9
122.02732	23.6
122.26635	0.6
123.08097	2.6
123.11697	7.5
125.09638	15.8
127.03893	2.2
129.10231	1.7
131.05042	0.5
131.08583	5.3
133.02812	0.5
133.10143	4.4
135.08057	7.9
135.11682	4.7
136.07552	0.8
137.05965	0.7
137.09616	0.8
143.08501	0.8
145.02840	1.3
145.04955	1.7
145.10175	2.6
146.02635	0.7
147.04399	0.7
147.11656	2.6
149.05919	0.7
149.09625	8.3
149.13257	3.2
151.11232	1.2
152.06932	0.5
153.09134	5.1
158.10945	2.5
159.09183	0.9
161.05951	0.5
163.03885	1.1
163.11201	2.1
163.14825	4.7
165.12767	2.6
167.05202	1.0
167.10619	1.9
171.11545	0.5
173.13277	16.3
177.05441	2.7
191.14316	67.0
192.14674	0.5
197.09953	0.6
205.04691	1.1
209.15373	100.0
210.15689	0.8
223.11520	3.8
226.16624	0.5
227.09163	0.6
241.12587	5.0
284.08029	0.7
312.12341	0.6
329.14807	0.7
330.17456	11.4
356.11813	0.5
492.21802	2.1
493.16974	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97104	0.4
51.02398	0.5
53.03938	0.9
55.01868	0.6
55.05517	1.0
56.05026	0.5
57.03423	1.2
65.03925	0.5
67.05492	2.1
69.03419	1.5
69.07076	3.1
69.52005	0.9
69.52416	2.4
70.06585	3.6
71.04997	5.3
72.08176	2.9
72.25476	0.4
72.69718	0.5
79.05070	0.8
79.05492	8.1
81.03414	1.3
81.07058	2.6
83.04977	1.7
84.04510	1.3
84.08128	1.5
85.02911	3.1
86.09705	1.9
87.00825	1.4
89.03922	0.9
91.05482	5.9
93.07044	8.0
95.04971	2.9
95.08587	0.6
97.02879	1.8
97.06533	1.1
99.04473	0.9
99.12617	0.5
103.05454	1.3
105.01844	1.1
105.07038	7.4
107.04949	3.2
107.08596	15.8
109.02869	1.0
109.06554	2.7
109.10181	0.6
115.05490	0.6
116.20732	0.5
117.03362	2.2
117.07032	2.8
119.08582	2.9
120.08108	1.2
121.06509	13.1
121.10159	7.5
123.08035	1.3
125.05997	1.3
127.03914	1.7
129.07021	0.9
129.10229	1.2
130.06567	0.5
130.07674	0.5
131.08572	57.4
133.06509	1.0
133.10133	5.0
135.04341	0.6
135.08026	1.6
135.11681	1.6
137.05981	3.9
139.07565	0.9
139.11179	0.6
141.05463	0.9
145.02867	6.0
145.05003	0.7
145.10126	14.1
147.08034	0.9
147.11682	1.7
149.05963	2.5
149.09624	24.0
149.13232	1.0
151.07545	0.6
153.05502	3.6
153.09065	0.9
155.07013	0.8
155.08363	0.6
159.03008	0.8
163.11200	8.2
165.09128	2.4
165.12663	0.6
167.07019	2.1
167.10660	1.1
173.09663	1.4
173.13280	2.3
175.07617	0.6
177.04060	0.9
177.05472	9.2
179.07005	0.5
181.08549	0.6
191.06943	0.7
191.10680	15.5
191.14294	5.6
201.05440	0.7
209.08191	3.3
209.11736	100.0
210.08893	0.5
210.12074	0.8
214.58945	0.6
330.13757	1.0
352.36255	0.5
492.19366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47847	0.8
53.03944	2.3
55.01868	2.5
55.05504	1.2
57.03429	1.7
61.02929	1.2
64.69579	0.8
67.05499	4.0
69.03432	9.8
69.07053	0.9
70.03745	0.9
70.06590	0.9
70.84181	2.1
71.04991	4.1
72.08163	1.3
73.02911	3.0
78.12643	0.8
79.05496	4.6
81.03428	8.0
81.07064	1.6
82.77660	1.0
83.04996	1.5
85.02442	1.4
85.02914	22.0
85.06547	31.4
86.09721	1.3
87.00842	8.8
91.05479	2.6
93.07029	4.6
95.04968	1.3
97.02897	9.6
99.04471	4.1
99.08095	1.5
105.01862	5.5
105.07030	3.9
107.05006	2.0
107.08588	6.8
109.02898	6.5
109.06506	1.8
111.04446	2.5
117.07037	1.0
119.08566	4.8
120.08089	1.0
121.06506	4.0
121.10172	5.5
125.06020	2.4
127.03919	13.6
129.01848	1.2
129.06973	1.0
131.08578	21.7
135.11716	2.4
137.06047	1.0
137.09599	1.7
145.02863	1.3
145.04982	5.2
145.06064	1.1
145.10164	8.3
147.08038	1.5
149.09631	18.4
153.05434	1.1
159.02905	4.1
163.07472	1.0
163.11185	6.5
165.09116	3.2
167.07022	1.9
167.10696	10.5
168.07321	1.1
171.23451	0.9
173.09604	2.4
191.10683	24.4
197.11810	1.3
209.11740	45.7
227.12794	100.0
231.05002	3.0
262.45963	0.9
317.13708	1.2
345.35846	1.1
385.47974	1.1
436.72861	1.1
492.17154	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2018
Annotation	Grossamide K
Peak:m/z	Relative Intensity
51.02363	0.4
53.03929	0.9
55.01865	0.7
55.05501	1.3
56.05029	0.4
63.02359	0.4
65.03941	0.6
66.04717	0.4
67.05475	0.6
67.90908	0.3
69.03416	1.4
69.07049	0.5
69.83999	1.7
70.06602	1.8
71.04990	0.6
72.08142	1.2
79.05481	1.2
81.03421	3.8
81.07052	1.3
83.04974	1.3
83.08636	1.7
84.04499	0.7
84.08127	1.0
85.02923	2.6
85.06548	0.4
86.09696	1.4
87.00845	0.3
89.03912	2.3
91.05486	5.4
93.07046	6.1
94.04172	2.0
95.04969	6.9
95.08606	0.5
97.02889	1.1
97.10166	0.3
99.04463	1.7
103.05466	6.4
105.01859	0.6
105.03349	0.4
105.04496	0.6
105.07012	1.3
107.04961	1.4
107.08591	0.8
109.02862	0.9
109.06479	1.0
109.10141	1.0
110.07155	0.4
111.04400	0.4
115.05460	6.8
117.03376	5.4
117.07025	3.7
119.04939	1.2
120.05760	0.4
120.08093	1.3
121.06505	31.3
121.10136	0.9
122.03648	4.3
123.04427	1.0
124.03923	0.6
125.06019	0.9
125.09624	0.5
127.03921	1.2
129.10219	0.4
131.04941	4.6
131.08548	0.5
132.05675	0.6
133.02820	0.4
133.06497	0.4
133.10121	1.3
134.03665	0.3
135.04414	1.1
135.08076	0.4
136.07635	0.4
137.05978	100.0
138.09113	0.8
140.89482	0.4
143.04932	4.9
144.05696	1.8
145.02853	11.1
145.05104	0.6
145.06487	4.1
146.03633	2.3
146.05957	0.5
147.04413	0.7
147.11729	0.4
149.05975	2.9
149.13261	0.4
151.03923	1.7
151.07599	0.4
151.11176	1.4
153.05426	0.7
153.09100	2.1
155.04935	0.5
155.06131	0.5
160.05203	8.1
161.05981	7.4
161.13251	0.4
162.06773	1.0
163.03934	0.7
163.07535	3.3
164.07065	5.1
167.07054	2.6
167.14272	2.6
168.07381	1.1
171.04471	1.4
172.05214	0.9
173.06013	0.9
173.13280	0.9
175.07553	32.2
177.05475	20.8
177.08978	1.9
179.14313	1.5
181.04921	0.8
187.07541	10.4
188.04767	0.4
189.07047	0.6
190.07741	0.5
191.07034	0.8
191.08588	0.8
191.14346	1.3
201.05457	3.5
203.07059	3.3
205.06601	1.1
205.08586	10.2
206.07271	0.5
207.08081	0.8
208.08917	0.4
209.15372	15.3
209.17390	0.7
213.05525	0.4
219.08133	2.1
223.07396	0.4
227.16476	1.3
234.06714	1.6
235.07610	1.3
236.08310	0.4
237.09167	1.4
247.07581	2.3
248.08795	0.7
249.09181	0.6
250.06305	0.5
251.10701	1.4
253.08566	0.5
259.09674	3.4
262.06372	1.2
263.07007	0.5
264.07712	1.0
265.08646	1.8
267.10330	0.5
270.08978	0.5
272.12985	0.4
277.08652	1.4
279.10132	2.8
280.10846	0.4
283.09711	1.4
284.10428	1.1
290.05829	1.3
292.07452	0.9
293.08142	1.0
294.08661	0.4
296.10425	1.6
297.11264	0.7
299.12875	1.3
305.08047	1.9
307.06079	0.6
307.09341	2.1
309.11212	1.4
311.12738	10.9
311.16205	0.6
312.05994	0.4
322.08450	0.5
325.10696	6.6
329.13986	0.6
331.08154	0.9
337.10690	3.7
338.13934	1.2
340.15463	2.7
355.11688	1.0
368.14978	1.3
462.19104	4.1
474.19254	1.4
492.20117	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	492.2019
Annotation	Grossamide K
Peak:m/z	Relative Intensity
53.03936	3.0
55.01859	1.5
67.05473	0.9
69.03418	1.1
69.86890	2.0
69.87281	1.2
70.06580	3.3
71.90701	0.8
72.08153	1.3
76.63464	0.8
79.05513	1.7
81.07045	2.6
84.04472	1.0
84.08172	1.1
85.02882	1.0
86.09744	3.7
89.03935	6.0
91.05480	12.9
93.07056	14.2
94.04183	3.9
95.04977	3.2
98.97595	0.8
103.05478	9.9
105.04533	1.3
105.07033	1.1
107.04952	2.3
109.06525	6.9
110.07166	1.4
115.05470	2.8
117.03389	16.9
117.07032	1.6
119.04964	2.6
119.08559	1.2
120.08114	1.9
121.06515	89.6
122.03660	8.8
125.06013	1.1
125.38515	0.7
131.04938	1.1
133.02814	1.3
134.03621	1.2
135.04395	2.2
137.05988	100.0
138.09137	11.1
140.79617	0.9
141.03412	1.3
143.04936	1.2
144.05626	1.2
145.02852	32.8
145.06497	1.0
146.06023	1.0
147.04459	2.2
149.02312	0.8
149.05991	6.1
150.06750	0.8
160.05197	6.9
160.34488	0.8
161.05954	4.2
164.07007	5.5
172.05220	2.7
173.06018	1.3
175.03900	1.3
175.07556	22.4
177.05486	67.9
181.81424	0.8
186.03203	0.9
187.07550	9.7
188.08273	1.1
189.05368	1.2
189.06996	1.3
191.07050	2.1
201.05389	65.1
218.07993	1.1
219.08105	3.3
222.11243	1.1
230.08134	3.1
231.06538	6.8
234.06737	3.5
235.07561	2.6
236.08257	1.2
242.03050	0.8
247.07510	4.9
248.08366	1.4
249.05447	0.9
249.09047	1.9
251.07092	0.9
251.10628	2.8
253.08656	2.9
261.09253	1.5
262.06342	2.5
263.06979	2.3
264.07864	2.5
265.08655	3.0
277.08597	7.6
278.09232	1.0
279.07098	1.3
279.10223	4.8
281.08139	1.9
283.09769	3.2
294.08844	2.2
295.09723	1.0
296.10449	12.1
305.08157	5.4
307.09763	1.0
309.11209	5.1
311.12814	9.3
316.15594	0.9
322.08316	1.4
325.10730	2.7
331.08209	2.8
337.10712	9.3
338.13910	35.5
355.11765	22.7
428.43768	0.9
474.19159	26.1
492.20190	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	492.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.05519	0.3
56.96585	0.2
63.02387	0.6
67.05510	0.4
68.38655	0.2
69.07073	0.4
70.06596	0.6
72.08157	0.6
77.03909	0.4
78.04713	0.5
79.05508	0.7
81.07074	0.5
84.08146	0.7
85.02925	0.2
86.09711	0.9
89.03928	8.6
91.05487	2.4
93.07039	1.5
95.04982	0.7
95.08617	0.5
98.97595	0.2
103.05509	1.5
105.07056	1.0
106.04174	0.6
107.04959	0.4
107.08598	0.3
109.06512	0.3
109.10171	0.4
114.24333	0.2
117.03394	23.4
117.07108	0.3
119.04943	0.5
119.08633	0.3
120.08099	0.3
121.06535	1.6
122.03697	0.3
129.10213	0.3
133.02872	2.6
134.03638	1.7
134.89972	0.2
135.04431	1.7
135.08081	0.8
137.05992	4.3
145.02861	52.8
146.03247	0.3
147.04407	0.3
147.11697	0.2
149.04802	0.5
149.05997	9.0
151.07607	1.0
158.06018	0.4
158.99698	0.4
161.05997	0.2
162.03087	0.4
163.03900	0.7
165.05423	0.3
165.09128	1.4
166.09564	0.5
170.12608	0.2
175.07555	0.6
177.05490	100.0
178.05824	0.6
179.08569	0.6
186.05530	1.9
197.41127	0.2
201.05544	0.3
207.04555	0.2
207.08076	0.4
209.15379	0.3
218.08096	0.6
219.01810	0.2
224.08264	0.3
239.07133	0.3
239.10747	0.5
266.05603	0.3
267.06381	0.2
299.09311	0.3
299.12695	0.5
312.06009	0.2
316.15417	1.2
321.23602	0.2
325.10565	0.3
327.08591	0.5
342.13531	0.5
421.18985	0.3
492.20267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
52.86446	0.6
53.03939	1.6
55.01855	1.3
55.05490	0.6
56.51458	0.6
60.34941	0.5
65.03933	1.1
67.05521	0.7
69.03399	0.8
70.06602	3.0
72.08149	1.6
77.03897	0.6
79.05455	0.7
79.98045	0.5
81.03416	3.6
81.07036	0.8
84.08118	1.6
85.02908	0.9
86.09689	2.5
89.03905	1.3
91.05477	11.1
93.03401	0.5
93.07043	8.9
94.04208	2.7
95.04958	2.9
95.08606	0.8
96.08150	0.7
97.02906	0.7
98.21463	1.4
103.05460	10.2
105.04502	1.3
105.07013	1.3
105.22451	0.7
107.04954	1.9
109.06516	1.4
109.10144	0.8
110.09706	0.8
115.05452	7.9
116.06202	0.6
117.03370	2.3
117.06993	3.5
119.04947	6.1
120.08103	1.3
121.06504	46.0
121.10089	0.7
122.03647	5.5
123.11684	0.6
124.05247	0.9
125.06024	0.8
130.04103	0.9
131.04909	6.5
133.02831	1.1
133.06494	0.9
135.04465	0.9
137.05978	100.0
138.09094	1.2
143.04927	5.0
144.05719	1.3
145.02856	5.3
145.04967	0.5
145.05321	0.6
145.06461	5.0
146.03641	2.3
146.05992	1.1
147.04428	3.9
149.05991	2.9
150.06702	1.4
151.03909	1.6
151.07611	0.7
157.04063	0.6
158.03615	2.0
159.08069	0.8
160.05205	7.4
161.06004	7.8
162.06772	1.3
163.07535	3.3
164.07094	4.7
167.06985	1.1
168.00568	3.7
171.04370	1.8
172.05214	0.8
173.05988	6.0
175.03983	4.4
175.07542	31.5
177.05489	9.9
177.06912	1.0
177.09142	1.6
179.07053	2.1
180.07776	0.7
181.04915	0.8
186.01591	1.5
186.03177	2.7
187.07523	9.6
187.09128	0.6
188.04762	0.9
189.05493	1.5
191.06990	1.1
191.08565	1.3
201.05466	53.9
202.05959	0.7
203.07022	3.7
205.06520	2.6
205.08617	9.2
205.10410	1.1
207.08142	0.8
209.15327	1.7
213.05562	1.4
217.06544	0.8
219.08134	1.9
222.06786	1.0
231.06551	2.0
233.06000	1.2
234.06770	2.0
235.07491	1.4
237.09135	2.2
247.07576	1.5
249.09160	1.2
250.06290	1.6
251.07047	1.0
251.10771	1.4
252.31883	0.6
259.09772	3.2
261.09329	0.6
262.06213	1.8
263.06976	1.2
264.07718	1.3
265.08667	2.8
269.08127	0.6
277.08710	3.4
279.10294	3.2
281.08224	0.7
282.08591	0.7
283.09726	1.7
284.10498	1.1
290.05734	2.0
292.07129	1.1
293.08148	2.6
294.08951	0.7
296.10486	0.8
297.11267	0.7
298.04822	1.1
299.12833	2.1
305.08060	4.2
307.06030	0.7
307.09644	2.4
309.11322	0.8
311.09201	1.0
311.12738	11.7
312.12567	0.9
316.05811	2.3
325.10663	7.3
329.14072	0.9
331.04153	1.0
331.08115	20.5
337.10522	3.2
338.13898	2.4
340.15558	2.7
355.11758	28.6
366.85257	0.8
368.15039	1.8
462.19128	1.9
474.19144	1.2
492.20172	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	492.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01878	1.1
65.03946	1.1
70.89219	2.5
79.05496	2.0
81.03383	0.9
81.07069	2.5
85.02902	1.8
91.05486	16.8
93.07048	19.1
94.04195	1.4
95.04981	4.7
99.88938	0.9
103.05480	14.5
105.04538	2.2
105.07028	2.5
107.08594	1.3
109.02875	1.0
109.10166	1.2
111.04468	1.0
115.05466	3.2
115.46158	1.1
119.04957	4.3
121.06513	67.6
122.03662	3.9
125.06008	1.1
130.04179	1.5
131.04948	1.9
133.06505	1.8
133.10161	1.6
137.05989	61.2
143.04921	4.6
145.02852	1.6
145.06453	1.2
145.10194	1.2
146.03613	1.3
147.04448	4.3
149.05984	1.7
149.13271	1.5
150.06769	1.2
151.03931	2.2
158.03633	2.1
161.05984	6.5
162.06790	3.8
164.07069	1.2
172.05310	1.0
173.06018	5.0
175.03957	2.5
175.07578	1.6
177.05482	3.9
177.06894	1.4
178.07787	1.2
179.08611	1.3
181.12349	2.7
185.05988	1.1
186.03175	4.9
189.07007	3.8
191.08606	1.3
191.14249	1.9
201.05482	41.3
202.07643	1.6
205.06514	8.4
206.07301	5.1
207.06458	1.1
207.08226	1.1
209.15387	3.3
213.05431	5.3
217.06511	4.3
218.07291	2.9
219.08144	3.0
220.05153	1.3
221.05989	2.2
221.09668	2.0
222.06827	3.7
223.07616	1.9
231.06458	1.6
233.05998	9.1
234.06764	16.7
235.07642	3.3
236.08362	1.1
237.09100	5.5
239.07193	1.6
245.06032	5.2
246.06694	1.3
247.07626	4.2
248.08282	1.5
249.05478	2.1
249.09099	7.7
250.06252	8.7
251.07106	4.1
254.05695	1.0
261.05533	4.1
261.09262	1.0
262.06277	17.0
263.07047	4.5
264.07791	3.8
265.08640	19.8
266.09399	2.5
267.06537	2.0
273.05447	6.6
274.06244	2.3
275.07074	2.0
276.07861	2.4
277.05276	1.9
277.08603	22.5
278.05896	4.2
278.09094	1.0
279.06534	4.3
279.10071	2.4
280.07373	1.1
281.08170	1.9
282.08997	2.1
287.07086	2.8
289.05035	2.6
290.05737	18.1
290.08774	1.2
291.06458	2.2
292.07309	10.5
293.08087	18.6
294.08810	4.5
295.09637	2.0
297.11307	2.6
304.07452	1.5
305.08112	35.9
306.08765	1.0
307.06158	2.6
307.09622	26.9
309.11151	2.4
310.08392	3.6
319.09750	3.8
322.08371	5.7
325.10718	100.0
337.10715	60.1
355.11755	7.5
392.08789	0.9
420.53796	1.0
462.19128	61.4
492.20187	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.7
53.03942	4.4
55.01867	1.3
64.02647	0.6
65.03931	0.8
66.00948	0.5
77.03915	1.6
79.05477	1.4
81.03415	0.7
81.07053	1.3
89.03912	1.9
91.05483	19.0
93.07040	17.4
94.04184	2.1
95.04978	4.9
95.08611	0.7
102.04688	1.5
103.05465	16.9
105.04512	2.5
105.07031	3.4
107.04936	1.2
109.06531	1.9
115.05450	3.8
117.03383	6.3
117.07025	1.4
119.04940	3.7
120.05709	1.1
121.06506	75.5
122.03657	5.4
125.05991	0.8
130.04137	1.6
131.04936	1.7
133.02867	1.5
133.06490	2.2
134.03610	0.9
135.04436	0.9
136.07497	0.8
137.05978	72.3
138.09116	1.1
143.04922	5.6
145.02849	12.7
145.06497	2.4
146.03592	1.7
147.04419	4.0
149.05977	4.6
150.06737	1.7
151.03947	2.9
151.04965	0.7
155.04921	1.0
158.03687	2.8
160.05191	1.0
161.05974	7.1
162.06750	4.2
164.07120	1.7
165.06946	0.6
168.36922	0.6
172.05190	1.0
173.05989	5.9
175.03934	3.5
175.07556	4.2
177.05489	27.1
177.06964	2.2
178.07770	1.9
185.05980	1.2
186.03149	4.5
187.07504	0.7
189.05447	1.8
189.07047	3.4
190.07648	0.7
191.08566	1.8
194.07315	1.6
195.08046	0.6
201.05470	45.2
202.05966	0.7
203.06961	1.7
203.08656	1.0
204.66443	0.6
205.06482	9.7
206.07271	6.5
207.08086	1.2
213.05455	6.5
217.06525	4.3
218.07289	2.3
219.06236	0.7
219.08208	3.6
220.05238	0.8
221.05949	1.8
221.09630	2.5
222.06764	4.5
223.07542	1.7
227.07037	0.8
231.06488	2.1
231.08411	0.9
233.06009	10.1
234.06772	17.4
235.07535	4.6
236.08397	1.3
237.09114	6.5
239.06955	1.0
244.05145	0.8
245.05959	5.0
246.06853	1.1
247.07561	4.4
248.08348	2.3
249.05453	2.3
249.09117	8.7
250.06232	6.9
251.06963	3.8
251.10674	1.8
253.08418	0.9
259.07657	1.8
261.05490	3.7
261.09293	0.7
262.06238	16.1
263.07037	5.0
264.07880	4.5
265.08588	17.0
266.09406	1.8
267.06387	1.7
267.10159	0.7
273.05493	4.9
273.38998	0.6
274.06149	1.7
275.07077	1.7
276.07874	2.4
277.05280	1.5
277.08582	23.2
278.05759	4.0
278.08890	1.1
279.06555	4.4
279.10187	4.3
280.07343	1.3
281.07828	0.6
282.08902	2.3
287.06995	2.8
289.05093	1.2
290.05725	21.9
291.06531	1.8
291.10205	1.5
292.07285	10.2
293.08069	20.2
293.11392	0.8
294.08807	5.2
295.06216	0.9
295.09637	1.9
297.11276	3.3
299.12848	1.2
304.07309	1.3
305.08069	37.5
306.08746	1.4
307.06125	1.7
307.09619	27.7
308.09973	0.7
309.11139	3.0
310.08383	3.0
311.12750	2.1
319.09518	3.5
321.07452	0.6
322.08295	5.5
325.10709	100.0
326.10907	0.6
327.12125	0.7
337.10699	65.7
338.10898	0.9
355.11758	9.1
356.14725	0.9
462.19107	61.3
463.19183	1.0
492.20184	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01852	1.6
55.05500	1.0
57.03425	1.5
57.07061	0.6
65.21405	0.6
67.05508	1.2
69.03413	2.7
69.07065	2.0
69.46181	4.3
70.06599	8.2
71.04984	3.5
72.08154	3.2
79.05491	6.0
81.03411	2.2
81.07039	1.3
81.15666	0.6
83.04984	1.1
84.04501	1.4
84.08125	2.1
84.97895	0.6
85.02915	4.9
85.06542	5.7
86.09695	2.9
87.00809	1.1
89.03928	4.3
91.05474	5.1
93.07049	5.0
95.04974	0.6
97.02889	2.3
97.06519	1.2
99.04456	0.9
103.05477	0.8
105.01856	0.9
105.07011	4.4
107.04942	2.7
107.08604	8.1
109.02863	1.0
109.06519	0.8
110.07211	1.1
111.04457	1.1
115.08676	0.9
116.07071	1.1
117.02627	1.1
117.03385	12.9
117.07005	2.0
119.04922	0.9
119.08575	2.6
120.08129	3.3
121.02880	0.7
121.06499	7.7
121.10154	5.1
127.03907	2.8
129.07040	0.7
129.10236	1.6
131.04893	1.0
131.08566	34.9
134.03691	0.7
135.04456	1.3
135.08009	0.6
135.11649	0.9
136.07602	1.0
137.05969	2.2
141.05434	1.1
145.02850	48.8
145.06537	4.8
145.10121	10.1
147.08069	1.6
149.05971	5.5
149.09621	16.0
153.05434	1.6
163.03935	1.8
163.11165	4.8
165.09125	1.2
167.06998	1.8
167.10678	2.0
173.09610	1.1
175.07553	0.9
177.05472	100.0
188.07037	3.3
191.10657	14.6
196.09476	0.7
205.04697	0.7
206.05119	0.9
209.11732	62.3
210.11902	0.8
211.98297	0.6
227.12775	13.8
312.12299	28.1
393.65927	0.6
413.58435	0.6
474.17712	6.7
492.15173	3.4
492.23593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
63.02386	0.6
67.05493	0.2
69.03453	0.5
69.07066	0.2
70.06597	1.4
70.66485	0.4
70.66835	0.2
72.08165	0.7
74.06086	0.2
77.03935	0.2
78.03461	0.4
78.04720	0.4
79.05502	0.3
80.05027	0.7
81.07051	0.5
84.08144	0.8
85.02913	0.4
86.09720	1.1
86.43762	0.2
86.55061	0.2
87.45899	0.2
88.03967	0.2
89.03918	8.5
91.05477	0.8
93.07065	0.5
95.04995	0.3
96.04493	0.5
97.02905	0.4
98.97616	0.4
103.05480	0.7
105.03436	0.2
106.02917	1.4
106.04176	0.6
107.04956	0.4
107.08572	0.2
109.10168	0.2
110.07167	0.2
111.04485	0.3
117.03389	22.9
119.04929	0.5
119.08613	0.4
120.08117	0.8
121.06505	1.1
124.03967	9.8
125.02422	0.2
129.10266	0.3
133.10106	0.4
134.03609	1.4
135.04439	1.3
136.07611	0.3
137.05988	1.2
138.05434	0.2
145.02852	52.0
146.03186	0.5
147.04466	0.2
149.05989	7.5
151.03940	0.2
151.07520	0.2
158.06026	0.3
161.05937	0.2
163.03961	0.8
165.09097	0.2
166.08644	0.3
167.07062	0.5
175.07527	0.3
177.05478	100.0
178.05843	0.6
186.05510	1.5
193.32364	0.2
201.05464	0.3
220.96960	0.2
298.09253	1.1
325.10468	0.3
337.10593	0.2
355.12134	0.3
362.61276	0.2
380.62323	0.2
492.19098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.2
55.05505	0.3
57.03431	0.3
57.97550	0.3
63.02377	0.5
67.05523	0.4
69.03434	0.6
69.07084	0.3
69.83115	1.5
70.06599	3.7
71.06923	0.3
72.08164	1.2
77.42085	0.3
78.03474	1.0
78.04745	0.3
79.05505	0.5
81.03435	0.9
83.60543	0.3
84.04487	0.3
84.08125	1.3
85.02911	1.5
86.09695	2.1
89.03921	7.9
91.05501	1.3
93.07055	0.7
95.04952	0.6
97.02892	0.9
103.05471	0.8
105.03371	0.4
105.07007	0.3
106.02921	2.3
106.04169	0.7
107.04919	0.4
107.08636	0.4
109.02887	0.4
110.07153	0.7
115.05476	0.2
116.07073	0.3
117.03385	20.7
119.04939	0.6
120.08120	1.1
121.06518	2.0
121.08436	0.3
124.03979	3.0
124.04922	0.3
124.05188	0.3
127.03913	0.5
129.10251	0.7
131.04933	0.4
134.03629	2.0
135.04433	1.1
137.05994	3.4
139.03882	0.6
145.02852	48.8
146.03276	0.3
147.04440	0.4
149.05988	8.6
151.07516	0.5
160.05194	0.4
161.05989	0.2
162.03087	0.3
162.06645	0.3
163.03914	0.9
167.07031	0.8
175.07545	0.9
177.05475	100.0
178.05894	0.6
178.09949	0.6
181.08627	0.6
186.05499	1.3
187.07574	0.5
194.09431	0.4
201.05408	0.3
203.06964	0.3
205.08632	0.3
209.11713	4.0
219.07983	0.3
221.98453	0.3
229.15593	0.4
265.08691	0.3
270.09576	0.3
277.94971	0.3
287.05563	0.4
298.09351	1.4
306.83105	0.3
309.11234	0.4
311.12848	0.4
315.04959	1.0
316.10034	0.4
325.10468	0.4
331.08151	6.9
462.18936	0.4
492.19708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20205	0.5
55.05506	1.7
55.56664	0.6
56.05031	2.0
60.04529	0.9
63.36261	0.5
64.91882	0.6
69.03429	1.3
69.07098	0.6
69.17965	6.5
70.06598	20.3
71.04977	0.9
72.08163	16.3
73.02924	0.8
74.06080	6.2
81.03435	0.8
83.06121	0.8
83.08633	0.6
84.04507	7.9
84.08136	4.7
85.02915	3.6
86.09712	11.2
87.10023	1.1
88.03992	1.3
89.03928	2.2
89.10808	5.4
91.05477	1.9
97.02898	1.0
98.06052	1.6
98.97613	1.0
100.11269	5.5
101.07166	1.1
102.05554	6.1
103.05479	1.0
104.05354	0.9
110.07175	2.0
111.04404	0.8
112.07638	0.7
113.07104	0.7
115.08691	2.5
116.07114	3.3
117.03387	10.5
119.04980	1.2
120.08123	6.7
121.27393	0.6
129.06589	1.2
129.10245	3.4
130.05008	1.2
132.10185	0.8
135.04402	0.9
136.07594	5.5
137.05975	1.6
140.07072	2.8
141.06583	0.9
145.02853	46.5
147.04427	1.1
147.07628	0.6
148.06046	1.8
149.05923	4.9
150.05559	1.1
158.08163	0.7
159.09158	0.7
162.07634	1.9
163.03966	1.6
165.08981	0.6
167.06967	1.2
167.08218	1.1
173.12776	0.7
173.21643	0.6
177.05481	100.0
178.05893	1.0
185.09242	2.6
187.10782	0.7
195.07697	1.3
196.05872	0.7
197.12790	1.4
203.10277	1.1
209.16479	1.3
213.08688	2.9
215.13907	1.9
218.36385	0.7
227.17557	7.1
231.09787	2.6
233.12859	0.9
243.13373	1.9
248.12839	7.8
249.10860	3.7
261.12198	1.2
261.14545	2.3
265.15488	81.4
266.15601	0.9
287.05475	0.6
312.15726	1.0
317.06912	1.0
326.16977	0.9
328.15057	0.9
345.04395	1.1
353.48743	0.6
360.14069	0.7
376.15262	1.1
411.15430	0.8
437.21066	0.7
473.23236	0.8
491.10040	0.8
491.22037	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	491.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.96566	8.4
64.80721	0.3
65.78938	0.3
67.05497	0.5
69.03412	0.4
69.07079	0.3
69.67235	1.6
70.06596	2.8
71.95270	0.3
72.08144	1.0
81.03426	0.3
81.07046	0.9
84.04482	0.6
84.08125	1.0
84.96039	2.8
85.02862	0.3
86.09706	2.4
87.17338	0.3
91.05494	0.5
93.07051	0.4
95.08620	0.5
97.02902	0.4
97.96801	2.6
98.97588	30.3
100.99199	0.3
104.05328	0.5
105.07043	0.6
107.08589	0.4
109.10146	0.6
110.07173	0.5
110.97573	9.6
110.98339	0.5
112.99134	2.8
115.97835	0.9
116.07088	0.4
116.98618	6.1
117.03358	0.3
119.08597	0.4
120.08102	1.0
121.06537	0.5
123.08106	0.3
124.99125	2.1
125.09663	0.4
126.97038	0.6
128.98619	6.4
129.10258	0.5
131.00198	1.4
133.10153	0.4
134.99658	0.9
136.92180	0.9
137.05983	0.8
140.00191	0.7
140.98611	1.6
143.00179	4.7
144.98094	0.8
145.02855	0.7
146.99673	1.8
152.98615	0.4
154.93207	1.4
157.01761	0.3
158.99664	8.9
161.01262	2.7
162.99136	0.4
165.99380	0.4
167.03749	0.3
167.07048	1.0
170.99677	3.5
172.94215	1.8
173.01250	0.4
174.99127	0.5
175.97478	0.3
177.00743	4.6
177.05489	0.8
178.05882	0.3
181.04950	0.8
182.99706	1.0
184.00462	0.3
185.04846	0.5
187.10933	0.3
189.00670	1.9
190.95416	0.5
194.02509	1.1
195.06889	0.6
196.94350	0.7
197.04886	0.5
201.00713	4.4
207.01682	0.5
212.03593	1.9
213.08070	1.9
214.95323	2.6
219.01776	16.7
220.04042	0.6
225.04271	0.4
225.07967	0.5
231.09145	0.7
232.96371	0.5
237.02829	12.9
238.05206	0.8
238.95399	1.1
240.96867	0.6
241.11137	0.7
242.03397	0.8
249.11499	1.4
251.09529	0.5
253.07552	1.2
256.96365	2.5
260.04388	0.5
263.09909	0.5
263.14120	0.4
265.11160	3.8
267.12698	10.7
269.10724	0.5
271.08594	0.6
274.97406	1.7
276.10291	0.3
280.96249	1.5
281.10553	0.9
283.12119	2.7
285.13739	12.6
286.14316	0.3
290.14316	0.5
291.12573	2.6
294.11493	0.9
295.12292	1.6
298.97443	5.5
299.11682	0.5
303.14737	0.8
305.85529	0.3
308.15497	0.4
309.13742	9.0
311.02292	0.3
313.13379	0.9
316.98514	5.3
321.13791	1.9
323.15320	0.8
327.14789	2.2
332.15417	0.7
334.99649	1.0
337.13202	0.4
339.14764	1.2
347.08392	1.6
351.14816	1.8
363.14908	0.5
365.09448	5.8
369.15805	0.4
411.16925	17.9
431.10785	0.5
455.27570	0.4
473.11719	1.0
491.12585	100.0
492.12756	1.6
509.13690	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	490.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	21.9
57.07086	9.5
58.47726	5.1
64.31784	5.1
67.05510	62.0
69.03432	8.9
69.07072	34.8
69.41875	19.9
69.42283	19.0
71.04999	20.2
79.05505	41.2
81.07062	99.7
83.04993	8.4
83.08615	11.9
85.06558	6.5
91.05495	44.1
93.07047	97.7
93.31619	5.6
95.04980	22.6
95.08617	96.9
97.06519	6.6
97.10212	7.3
98.20805	11.7
98.21452	11.8
105.07045	77.9
107.08602	100.0
108.82514	5.1
109.06518	13.5
109.10168	93.8
111.08083	10.9
113.09691	6.3
115.40222	4.9
117.07024	13.3
119.08599	81.0
121.06516	9.9
121.10172	79.6
123.08079	12.4
123.11712	32.8
125.09704	9.7
129.06987	4.7
129.58974	5.3
130.07802	6.9
131.08577	33.5
133.10120	60.5
135.08055	14.6
135.11708	43.9
137.05997	20.3
137.09618	16.9
137.13272	11.4
143.08586	11.4
145.10124	56.3
147.11697	56.6
149.09634	15.4
149.13277	29.9
151.11201	14.2
154.08688	9.9
157.10165	11.3
159.11684	33.0
161.09590	6.4
161.13280	29.1
163.11214	6.4
163.14874	11.9
164.97955	5.4
170.10944	5.5
171.11775	12.2
173.13228	33.0
173.60930	5.7
175.14828	20.9
177.16428	9.6
185.13269	13.4
187.14824	22.2
189.16371	14.1
199.14873	12.7
201.16403	16.6
203.18011	9.2
213.16449	13.4
215.17990	17.8
217.15857	6.2
229.19534	7.9
241.19542	7.7
315.37573	5.0
383.28989	6.9
411.17639	7.5
490.38565	16.1
502.35037	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
53.81236	0.6
55.01860	1.9
55.05503	2.1
57.03424	2.1
57.07080	1.2
61.02931	0.7
64.84742	0.5
67.05506	1.6
69.03429	5.5
69.07058	1.9
69.67641	3.5
70.06584	3.1
71.04984	1.5
72.08144	1.1
72.37418	0.6
73.02908	2.2
77.68377	0.6
79.05480	1.0
81.03416	6.8
81.07048	4.8
83.04980	5.6
84.08128	1.6
85.02908	23.2
86.09698	2.4
87.00838	6.0
91.05482	2.1
93.07065	2.8
95.04948	2.1
95.08598	2.6
97.02896	8.3
97.06528	1.7
98.20850	1.0
99.04484	3.2
102.05586	0.7
103.05397	0.6
105.01864	5.9
105.07028	4.3
107.08591	6.4
109.02891	8.2
109.06526	10.6
109.10146	2.1
110.07195	1.0
111.04442	0.7
111.08069	4.2
115.05455	0.7
117.03324	0.8
119.08595	6.8
121.06541	1.5
121.10159	10.0
123.08089	4.0
123.11710	13.6
125.09639	0.9
127.03918	9.9
131.04889	0.5
131.08571	0.8
133.10135	2.3
135.08018	1.5
135.11710	1.4
137.06015	0.8
137.08543	1.1
137.09618	22.4
137.13248	0.9
145.02896	1.3
145.04945	3.4
145.10133	1.6
147.08057	1.0
147.11697	13.5
149.02361	2.3
149.09622	5.3
151.07542	1.4
151.11186	1.2
156.09425	1.0
159.02902	1.9
161.13251	6.4
163.11221	1.7
165.12755	100.0
167.07065	1.0
171.11624	1.6
174.10387	2.1
175.07533	0.7
177.05493	2.0
179.14297	7.8
189.12750	14.9
207.13811	56.6
213.03941	1.3
231.05031	4.8
359.12445	0.7
429.00891	0.8
431.79767	0.6
490.18033	0.6
490.33298	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01883	10.7
61.00979	1.8
65.03935	5.4
65.30186	1.8
67.05493	3.2
70.03406	7.3
70.06583	1.9
79.05480	2.3
81.03394	2.8
81.07060	5.5
84.08154	1.9
85.02924	2.5
91.05473	16.2
93.03392	5.7
93.07057	11.7
95.04991	3.3
95.08612	3.3
103.05470	7.6
105.07029	2.1
107.08569	4.5
109.10192	3.3
111.04433	8.4
115.05457	8.1
117.03412	3.1
117.07064	2.1
119.01879	2.8
119.04919	8.1
121.05676	3.9
121.06518	63.4
121.07388	3.1
122.03638	4.2
123.11710	1.9
125.05988	8.0
129.10316	2.2
131.04951	2.8
135.04375	3.3
137.05992	50.9
143.04916	8.6
146.05980	5.2
147.04364	2.7
149.05963	4.5
151.03912	3.4
153.05434	7.1
158.69800	1.8
160.05234	2.9
164.07059	27.8
167.07036	3.4
171.04437	3.3
175.07532	11.9
177.05414	9.7
179.08556	2.1
187.14972	2.1
189.07008	4.2
195.08104	3.5
203.07101	10.0
205.06493	3.1
206.07303	4.4
207.08043	5.0
216.42851	2.5
217.06470	5.9
220.05202	3.2
221.06023	3.0
233.05966	2.2
234.06874	12.2
235.07617	10.3
237.08951	2.8
245.06013	2.8
249.09163	16.4
250.06284	3.2
251.07037	6.2
252.07770	2.5
262.06348	7.5
263.07050	8.7
264.08078	2.3
265.04968	3.2
265.08670	6.3
266.09329	2.2
267.10168	8.2
277.08615	32.1
279.06354	3.4
280.07266	3.8
281.08469	2.1
293.07962	2.6
294.08899	14.3
295.09497	5.1
309.11203	40.4
323.09174	35.2
325.10852	4.2
327.12289	100.0
328.18951	2.4
335.09305	4.8
353.10223	14.2
490.17899	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	490.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73958	0.4
53.03944	0.7
55.01882	0.6
55.05520	0.9
56.05042	0.5
57.03444	0.6
59.04998	0.9
61.01165	0.7
63.02375	0.6
67.05506	0.9
68.14368	0.4
69.03432	7.1
69.07062	1.1
70.06598	4.0
71.05007	0.5
71.06920	0.4
72.08157	1.6
73.02907	0.6
73.06596	0.5
78.04749	0.4
79.05521	1.0
81.03425	0.9
81.07072	1.2
83.04997	0.9
84.04507	0.7
84.08149	2.1
85.02895	2.6
85.06545	0.8
86.09708	2.8
87.04488	0.8
89.03926	7.4
91.05483	1.9
93.07039	1.9
95.04967	1.0
95.08621	1.0
97.02874	1.9
97.06538	0.7
98.97641	0.4
99.04497	1.0
101.06017	0.9
103.05473	1.4
103.24534	0.4
104.05312	1.3
105.03377	0.8
105.07054	1.5
106.04201	0.4
107.04948	0.4
107.08608	1.3
109.02888	0.5
109.06527	0.9
109.10144	0.7
110.07185	0.7
111.04491	0.5
113.02395	0.5
115.03917	0.7
116.07110	1.3
117.03387	22.1
117.07053	0.5
119.04976	0.8
119.08583	1.1
120.08119	1.9
121.06509	3.6
121.10155	1.1
123.04410	0.5
127.03915	1.0
127.07574	0.8
129.05482	1.8
129.10249	1.7
131.08549	0.6
132.05746	0.6
132.10193	0.5
133.02841	0.6
133.06548	0.5
133.10153	0.7
134.03656	1.6
135.04413	1.7
137.05952	1.3
140.07010	0.4
145.02856	52.9
145.10117	0.6
147.06544	2.3
147.08072	0.6
147.11740	1.4
148.05173	0.9
148.11978	0.6
149.02371	2.0
149.05994	8.1
149.07205	0.4
151.03989	0.4
151.07550	1.4
151.11159	1.2
157.04984	0.8
159.11755	0.4
161.06026	0.6
161.13332	0.5
163.03949	0.8
163.07536	3.2
165.12781	0.4
167.07033	1.4
168.07335	0.6
175.06100	0.7
177.05482	100.0
178.05910	0.9
181.05057	0.5
186.05435	1.2
189.12732	1.2
191.07043	13.8
191.14369	0.7
192.07817	0.5
192.14668	0.8
193.07095	0.9
207.13823	2.7
215.09111	1.3
229.07043	0.6
241.17947	0.9
242.18370	0.9
243.08597	0.7
261.09705	12.5
328.11871	0.7
328.15469	9.0
328.19397	0.6
344.14810	1.4
454.30081	0.7
455.15292	1.2
472.31650	3.1
490.17953	0.8
490.32706	0.7
506.53384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3581
Annotation	Uncargenin C
Peak:m/z	Relative Intensity
50.07820	4.7
51.82711	4.8
56.96575	5.6
57.03422	5.1
67.05493	8.0
69.07078	13.0
69.18655	47.8
79.05495	6.6
81.07070	21.7
83.08638	4.7
91.05493	10.5
93.07054	15.3
95.08612	29.4
105.04932	4.6
105.07052	20.0
107.08584	25.4
109.10161	12.7
117.06964	5.3
119.08600	39.3
121.10184	19.9
131.08594	9.7
133.10152	31.3
135.08092	5.6
135.11705	22.9
137.09598	4.7
143.03368	7.1
143.08598	5.2
145.10138	9.2
147.11699	17.2
157.10175	7.1
159.11703	13.1
161.13339	5.6
169.10449	4.5
171.11690	5.5
173.13280	7.9
175.14815	25.8
177.16386	8.2
187.14839	7.8
189.16484	23.7
199.14880	8.0
201.16437	11.1
203.14250	23.4
205.08429	4.8
207.17432	34.1
220.22485	5.5
221.15570	7.4
246.63748	5.5
249.14824	8.0
253.19334	5.9
300.97260	5.4
340.54837	5.0
389.26917	17.0
407.33136	8.2
425.34247	48.1
435.31885	5.1
443.34998	22.1
453.33823	9.7
471.28769	8.1
471.34848	100.0
471.48254	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	489.3211
Annotation	Cilistol f
Peak:m/z	Relative Intensity
55.05505	9.0
56.96560	3.5
57.07074	2.5
58.82057	1.7
64.49324	1.9
65.03932	2.3
67.05511	15.8
69.03433	3.4
69.07063	6.6
71.51989	2.4
79.05501	13.9
81.07074	14.4
83.04966	2.2
83.08651	2.3
85.02895	6.0
91.05488	16.9
93.07050	19.6
95.04980	18.1
95.08612	23.3
97.06528	2.7
97.10158	4.3
98.97586	2.9
103.05506	3.6
105.07049	14.9
107.04939	2.6
107.08597	44.7
109.06514	5.5
109.10160	16.2
111.08110	2.5
115.05505	2.0
116.98705	2.5
117.07030	5.1
119.04915	2.1
119.08611	10.6
121.06507	14.7
121.10133	8.5
123.08052	8.5
123.11687	5.6
125.09656	14.0
128.06186	2.6
129.06990	3.0
131.04883	3.1
131.08563	10.2
132.05722	1.9
133.10120	13.9
135.08055	3.0
135.11685	8.0
137.02335	2.6
137.05951	3.7
137.09630	3.0
143.08554	7.9
145.02892	2.3
145.10135	23.0
147.08046	3.8
147.11638	4.9
149.09677	4.3
149.13266	3.4
151.09969	4.2
151.11189	79.2
153.12711	5.5
155.08527	3.2
157.10143	3.0
159.08092	2.9
159.11719	10.0
161.09563	5.3
161.13206	3.8
163.11119	2.8
163.14821	3.4
167.07021	5.3
169.10138	2.4
170.99657	1.8
171.08049	4.4
171.11711	3.2
173.09622	7.5
173.13231	9.2
175.14862	3.2
177.05528	3.7
177.12788	2.2
181.04877	3.2
181.10097	2.6
183.11774	3.2
185.13289	5.7
187.11215	6.7
191.10681	3.4
191.14311	57.5
195.11685	2.0
197.13333	2.0
199.14801	2.0
201.05412	2.4
201.12787	2.9
205.12253	2.2
208.30811	1.8
213.12712	2.6
216.54216	1.9
219.13795	5.9
220.99966	1.8
241.08611	9.2
255.17375	2.3
265.16010	2.2
283.16852	2.5
285.18716	2.4
309.07239	3.4
311.20120	4.4
329.21039	5.4
330.58847	1.9
339.19437	3.5
347.22156	3.4
352.08725	2.3
357.20651	7.8
417.27679	2.7
435.28894	8.6
453.29926	17.4
471.31052	100.0
472.31219	2.8
479.02377	2.4
489.17398	6.6
489.32663	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	489.3209
Annotation	Cilistol f
Peak:m/z	Relative Intensity
55.05498	4.8
65.03943	1.8
67.05504	13.7
67.47547	1.1
69.03420	1.7
69.07065	4.1
70.81481	2.9
72.08160	7.0
79.05497	6.5
81.07053	9.7
82.77126	1.1
83.04995	2.2
83.08619	2.2
91.05481	10.1
91.21810	1.0
93.07059	13.6
95.04976	13.0
95.08616	16.9
96.51143	1.3
97.06519	1.8
97.10191	2.9
101.53586	1.1
105.07052	10.7
107.04969	1.4
107.08601	33.8
109.06516	2.4
109.10168	8.7
117.07023	3.4
119.08588	11.4
120.08091	5.4
121.06509	4.5
121.10135	7.6
122.95264	1.2
123.08078	7.4
123.11698	4.5
125.09659	11.2
127.75176	1.3
129.07013	1.5
131.08591	11.6
133.10118	8.3
135.08061	3.0
135.11685	5.7
142.07849	1.6
143.08574	4.9
145.10144	16.7
147.08066	3.6
147.11673	3.5
149.06024	1.3
149.09604	2.7
149.13239	1.2
151.07506	1.7
151.11194	57.4
153.12738	3.3
155.08569	2.5
157.10117	3.4
159.08089	2.1
159.11678	7.0
161.09659	3.6
161.13300	1.9
163.11156	2.5
163.14821	1.8
165.07114	1.2
169.10153	2.7
171.08038	3.7
171.11664	2.9
173.09605	9.2
173.13287	9.4
175.14842	3.1
177.05333	1.3
177.12688	2.1
181.10135	2.2
183.11725	2.1
185.13356	2.2
187.11166	2.6
189.09114	2.7
191.10635	4.5
191.14320	46.4
195.11668	3.4
197.13197	1.5
201.12767	2.4
201.16452	1.6
202.16338	1.2
203.14240	1.4
205.12373	1.6
209.13393	1.8
211.11368	1.2
213.12738	2.3
215.14078	2.0
219.13545	6.3
223.14824	1.5
227.14412	1.5
243.13696	1.9
253.15689	1.3
255.17415	1.8
261.90067	1.3
265.19904	1.6
283.16879	3.6
285.18378	1.9
293.18976	2.1
303.19507	1.4
310.47379	1.4
311.19913	2.1
329.21042	4.6
339.19580	2.0
347.22226	2.7
357.20596	6.3
435.28867	5.6
449.26730	1.3
453.30090	14.3
471.31110	100.0
489.26019	1.3
489.32159	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	489.3215
Annotation	Cilistol f
Peak:m/z	Relative Intensity
53.00314	1.1
53.03934	1.5
53.92410	0.7
54.32970	0.8
55.01876	1.6
55.05515	8.8
56.96561	1.3
57.03439	0.9
57.07088	1.1
58.45863	0.7
60.38713	0.9
65.03940	2.9
67.05175	1.6
67.05509	18.0
69.03423	2.8
69.07082	4.9
70.81629	2.0
79.05498	12.5
81.03409	1.3
81.07060	12.8
83.04991	3.3
83.08617	1.8
85.06541	1.9
88.68454	0.8
91.05491	15.6
93.07052	20.6
95.04983	17.4
95.08617	20.2
97.06532	3.8
97.10172	4.0
105.03392	1.0
105.07047	18.1
107.04962	1.7
107.08602	49.1
109.06527	6.5
109.10166	17.9
111.08086	1.8
115.05437	1.4
117.03369	1.7
117.07016	4.2
119.04945	3.4
119.06107	0.8
119.08597	12.2
121.06512	5.7
121.10162	10.2
123.08068	9.7
123.11713	7.9
125.09647	16.0
128.06258	0.9
129.07007	3.1
130.07799	0.8
131.08582	17.2
133.06555	2.1
133.10147	14.5
135.08061	3.8
135.11708	7.9
137.05989	2.7
137.09634	1.9
143.08582	7.2
145.02875	3.7
145.06509	2.5
145.10144	21.3
147.08067	3.8
147.11708	4.6
149.06038	1.2
149.09610	3.8
149.13272	3.4
151.07504	1.7
151.11195	88.1
153.12794	6.6
154.54189	1.1
155.08542	4.0
157.10172	5.5
158.07300	1.8
158.10991	1.7
159.08046	3.4
159.11725	8.6
161.09612	4.4
161.13293	2.6
163.11203	2.8
163.14796	1.9
165.06947	0.9
165.09102	1.5
167.08577	1.1
169.10155	2.8
169.12244	1.8
171.08075	2.8
171.11731	3.4
173.09641	11.2
173.13272	10.7
175.11211	1.5
175.14857	3.4
177.05479	8.0
177.12782	2.7
181.10124	3.5
183.11736	4.2
185.09636	2.3
185.13304	2.8
187.11208	5.7
187.14813	1.6
189.09116	1.4
189.12747	1.2
191.10771	5.9
191.14326	59.8
195.11700	3.8
197.09566	1.1
197.13289	3.1
199.11166	1.8
200.25407	0.9
201.12730	3.4
201.16399	1.0
203.14310	2.4
205.12253	2.6
207.11630	1.5
209.13361	2.5
211.11169	1.5
211.14856	1.1
213.12766	3.0
215.14330	2.6
219.13812	8.3
223.14822	3.0
225.12834	2.1
225.16322	1.7
227.10812	0.9
227.14293	1.8
229.12315	1.5
229.15846	1.3
237.16405	2.6
239.14415	1.5
249.14793	1.3
253.15993	1.7
265.15961	4.3
265.19333	1.0
267.17508	1.0
283.16910	5.4
283.20059	1.2
285.18509	3.9
293.19028	3.9
299.16437	1.8
301.17972	1.8
303.19736	1.6
311.20093	7.1
314.13855	2.5
319.18765	1.6
321.18655	1.6
329.21167	5.4
339.19565	2.9
347.22186	4.5
357.20645	7.4
375.21909	1.4
417.27841	2.6
435.28976	10.5
453.30023	21.7
454.31168	1.0
471.31113	100.0
472.31696	1.8
489.25922	1.3
489.32291	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	489.321
Annotation	Cilistol f
Peak:m/z	Relative Intensity
55.05499	5.3
65.03931	1.6
67.05505	16.9
69.03437	2.2
69.07064	4.8
70.06573	1.2
70.46533	4.2
75.93423	1.2
79.05495	10.2
81.07059	11.1
83.04982	2.3
83.08608	2.7
85.02900	1.5
85.06534	1.5
91.05492	10.7
93.07050	15.9
95.04980	15.2
95.08619	18.2
97.02885	1.8
97.06523	3.5
97.10159	1.6
105.03400	2.5
105.04541	1.5
105.07035	12.7
107.04936	3.1
107.08598	32.0
109.06531	2.4
109.10165	10.8
111.08080	2.0
117.07010	3.4
119.08575	9.8
121.06509	5.0
121.10149	8.1
122.06805	1.3
123.08077	10.2
123.11693	4.4
125.09619	10.8
129.07001	2.2
131.08577	14.6
133.06488	1.9
133.10130	11.4
135.07991	1.8
135.11690	5.8
137.05959	3.1
137.09631	2.9
142.07733	1.3
143.08572	4.0
145.06464	1.9
145.10130	19.1
147.08060	3.9
147.11659	3.2
149.09645	3.7
149.13232	3.2
151.07587	1.8
151.11188	64.1
153.12752	5.3
155.08537	3.6
157.10139	3.5
159.08072	4.0
159.11702	5.7
161.09590	2.8
161.13301	1.9
163.07541	1.6
163.11169	1.8
163.14844	1.6
165.12599	1.2
167.07031	5.8
169.10123	3.1
171.08044	3.3
171.11731	2.3
173.09636	9.2
173.13263	7.6
175.11212	2.1
175.14888	1.7
177.05415	2.4
181.04996	3.2
183.11815	2.7
185.13341	1.8
187.11203	4.5
187.14674	1.6
189.09061	1.3
189.12729	2.2
191.10670	5.2
191.14310	51.8
195.11760	3.0
197.13300	1.9
199.11276	1.6
201.12802	2.3
202.05833	1.4
209.13367	2.5
211.14830	1.5
213.12819	2.0
219.13863	5.9
221.15388	1.7
225.12914	2.4
237.16383	1.4
241.15868	1.6
253.15723	1.6
265.15936	2.4
283.16858	2.1
285.18503	1.9
293.19144	1.5
299.16187	1.7
311.20071	4.9
321.18542	1.5
329.21097	5.0
339.19443	2.3
347.22098	3.6
357.20660	8.0
435.28851	4.1
453.29962	16.2
471.31061	100.0
488.66379	1.8
489.17029	6.3
489.32300	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	489.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01874	0.4
55.05508	1.5
57.03431	0.3
57.07072	0.5
65.03947	0.4
67.05511	4.3
69.03432	0.6
69.07079	1.4
69.56348	0.9
69.56777	0.6
70.06570	0.5
71.04988	0.4
79.05497	1.5
81.03433	0.4
81.07061	4.8
81.32028	0.2
83.04984	0.8
83.08622	0.6
85.02915	0.8
85.06537	0.8
86.09714	0.7
87.04472	0.2
91.05479	1.9
93.07048	2.4
95.04971	0.9
95.08618	6.4
97.06510	0.3
97.10173	0.6
103.05453	0.7
105.07057	2.1
107.04925	1.1
107.08602	2.2
109.02860	0.2
109.06524	0.4
109.10165	6.5
110.03658	0.3
111.04379	0.2
111.08083	0.7
113.06013	0.8
113.09654	0.8
115.05434	0.3
115.57377	0.2
117.03484	0.2
117.07018	1.0
119.01900	0.3
119.04976	0.2
119.08582	4.1
121.06509	2.0
121.10147	1.9
122.07339	1.5
123.04451	0.5
123.08093	1.2
123.11723	3.8
125.09638	0.4
129.06978	0.4
129.09114	1.1
131.08559	1.2
133.10165	1.4
135.08067	0.6
135.11722	1.3
137.05991	0.8
137.09627	12.1
137.13257	0.7
139.07538	0.3
139.11174	0.2
141.09106	1.1
145.06479	0.8
145.10141	0.8
147.08049	0.4
147.11705	1.7
148.05180	0.6
149.09637	2.1
149.13283	0.9
151.03987	0.3
151.07579	1.4
151.11148	0.4
152.04660	0.3
153.09088	0.5
155.01924	0.3
157.08592	1.2
157.10063	0.4
159.11705	1.3
161.03075	0.3
161.09491	0.3
161.13240	0.8
163.03917	0.2
163.07558	0.4
163.14815	0.4
165.09122	100.0
166.09467	0.4
167.07051	5.0
169.08661	0.5
173.06009	0.7
173.13275	0.9
175.11195	0.8
175.14847	1.4
177.05440	0.4
177.09111	0.6
179.07039	0.3
179.10635	0.3
181.04961	3.4
187.09668	0.9
187.14806	0.7
189.09023	0.3
189.12807	0.9
191.07043	0.5
191.10718	0.5
203.04126	0.2
203.10649	0.9
203.14429	0.6
205.08633	0.5
205.12299	2.1
211.66087	0.2
215.17891	0.2
219.13849	0.5
221.05081	0.6
233.08035	0.3
239.09215	0.4
241.14320	0.3
245.05045	1.8
257.05136	0.4
273.22079	0.3
283.74448	0.2
291.23218	0.7
291.26743	0.2
305.07114	0.3
309.24146	0.2
317.20969	0.6
317.97821	0.2
319.04977	0.4
319.22678	0.9
325.23645	0.7
337.23758	2.0
361.06107	0.3
379.07336	0.6
385.12689	0.3
416.14548	0.6
425.30557	1.0
443.31714	1.2
459.16406	0.9
471.31064	0.9
489.17627	4.2
489.24371	0.4
489.32440	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80295	1.0
63.06107	1.1
67.05492	1.9
68.74129	1.0
81.07053	2.1
83.08604	1.5
91.05489	1.8
93.07068	2.1
95.08601	2.4
105.07047	1.4
107.08631	1.5
109.10175	2.0
119.08617	2.2
131.08531	1.3
133.10110	1.1
134.91505	1.0
157.10092	1.1
161.13338	1.2
177.05402	2.6
229.05891	1.2
295.77002	1.1
401.47910	1.2
403.31732	8.4
445.32925	46.8
489.31802	100.0
489.38303	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	489.3214
Annotation	Cilistol f
Peak:m/z	Relative Intensity
53.03947	1.4
55.01866	0.9
55.05508	5.3
57.03427	1.3
57.07066	0.7
60.09529	0.7
63.87503	0.6
65.03929	1.5
67.05505	16.0
69.03426	2.3
69.07063	4.4
70.06583	4.9
70.67003	1.9
71.04999	1.6
72.08141	1.8
77.03923	0.8
79.05498	11.2
81.07062	10.1
83.04985	2.2
83.08632	1.2
84.08137	1.8
85.02877	1.5
85.03755	0.6
86.09712	2.0
91.05486	11.5
93.07041	14.7
95.04372	1.2
95.04971	15.4
95.08610	21.2
97.02908	0.6
97.06537	2.1
97.10152	2.0
98.21405	0.7
98.97584	0.7
103.05453	0.7
105.03381	0.8
105.07036	11.3
107.04926	0.9
107.08595	37.0
109.06510	3.9
109.10165	9.9
110.07172	1.0
111.08080	1.5
117.07023	3.5
119.04920	0.9
119.06197	0.8
119.08593	8.1
121.06497	4.6
121.10137	8.5
123.04474	0.7
123.08060	7.4
123.11684	4.9
125.09631	12.3
128.06219	0.9
129.07013	2.5
129.10210	0.7
131.04962	0.9
131.08569	12.3
133.06490	1.7
133.10136	11.6
135.08054	4.0
135.11693	5.6
137.05997	3.7
137.09618	1.5
137.13219	0.7
139.11188	0.7
141.07030	1.0
143.08574	4.7
144.09308	1.2
145.06450	1.2
145.10132	17.4
147.08075	4.4
147.11700	2.6
149.06027	0.7
149.09660	3.4
149.13283	2.1
151.07567	1.9
151.11189	70.2
153.12727	5.2
155.08557	2.6
156.09346	0.9
157.10097	3.1
158.07318	1.0
158.10887	1.4
159.08052	3.1
159.11693	7.8
161.06004	1.2
161.09550	3.0
161.13266	2.7
163.03947	0.7
163.07542	0.8
163.11238	1.6
163.14833	1.6
165.06950	0.6
167.07034	1.4
167.08542	1.0
169.10126	2.3
171.08084	2.2
171.11700	2.7
173.09641	7.3
173.13269	8.2
174.10478	0.6
175.11226	2.2
175.14821	1.4
177.12737	2.1
178.13959	0.7
179.08597	0.7
181.10107	1.4
182.10950	0.7
183.11676	2.0
185.09697	1.6
185.13266	2.6
187.11174	4.3
187.14862	1.1
189.09160	1.5
189.12738	2.3
191.10730	4.8
191.14314	55.8
193.10078	0.8
195.11723	2.1
197.13269	2.5
199.11179	1.2
201.12801	2.3
203.10548	0.7
203.14415	1.5
205.12251	2.2
207.11768	0.8
207.13870	0.6
209.13245	1.7
211.11223	0.8
211.14851	1.0
213.12788	1.8
215.14322	1.4
219.13799	6.5
221.15459	0.7
223.14896	0.9
225.12759	2.0
225.16386	0.8
227.14326	1.2
229.12221	0.9
231.13869	0.9
233.15416	0.9
237.16525	1.4
241.15833	0.8
243.13814	1.4
245.15446	0.7
247.13258	1.2
249.14705	0.8
253.15776	1.0
255.17332	1.0
265.15826	2.3
267.17465	0.9
269.89047	0.6
277.08081	0.7
281.15375	0.7
283.16962	3.3
285.18671	1.7
293.19086	2.1
294.39545	0.6
301.18005	3.0
303.19559	1.1
311.16949	0.7
311.20016	3.7
319.19147	2.4
321.18378	1.1
329.21106	5.9
339.19385	2.9
347.22116	3.3
357.20596	7.2
375.21796	1.3
417.28058	1.6
435.29056	4.4
453.29956	13.0
471.31088	100.0
472.31400	2.1
489.18237	0.8
489.32199	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	489.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55969	0.4
55.05488	0.4
56.96307	0.7
56.96567	9.4
62.04580	0.4
65.03915	0.5
67.05495	1.3
69.03447	0.6
69.07079	0.5
70.06594	3.4
71.04983	0.4
71.51609	0.6
71.95243	0.6
72.08151	0.9
79.05485	1.1
81.03436	0.6
81.07047	1.6
83.04986	0.4
84.04540	0.4
84.08148	1.5
84.96027	1.9
85.02897	0.8
85.06462	0.4
86.09692	1.7
86.97610	0.5
88.03975	0.6
91.05486	2.5
93.07030	1.3
94.06580	0.6
95.04957	0.8
95.08602	1.6
97.02887	0.7
97.96807	0.7
98.97587	64.7
105.07037	1.7
107.04955	0.8
107.08598	3.1
109.06530	0.9
109.10160	1.1
110.07152	0.4
110.97576	6.2
112.99132	2.7
115.05418	0.6
116.98625	15.8
117.07035	0.5
119.08540	1.0
120.08103	0.4
121.06501	0.8
121.10147	1.8
122.07273	0.7
123.08072	0.6
124.08377	0.4
124.99129	1.0
128.98622	4.5
129.10277	0.5
131.00137	2.0
131.08511	0.5
132.98079	0.4
133.10132	4.1
134.99689	1.7
135.08089	2.0
136.92172	1.7
137.05968	1.0
137.09621	5.9
140.00177	1.3
140.98598	2.0
143.00201	2.1
144.98035	0.6
145.10097	0.5
146.06001	1.0
146.99669	1.8
148.07582	0.9
149.01242	0.7
149.13268	0.5
151.07559	0.6
151.11179	0.6
152.98604	0.9
154.93230	2.8
158.01317	0.4
158.99663	35.3
161.01207	0.9
167.07092	3.2
170.99664	4.1
172.94284	3.3
173.01233	1.2
173.06039	0.5
174.05450	0.4
174.99107	0.6
177.00720	18.2
177.05502	0.6
178.93254	0.5
181.04971	1.2
182.99623	1.2
189.00739	2.7
190.15572	0.4
190.95326	1.3
191.02307	0.6
191.14336	0.8
195.01718	0.6
196.94310	3.9
200.02306	1.5
201.00662	2.4
211.24063	0.4
214.95338	7.4
217.00357	0.5
219.01784	6.9
226.95477	0.7
228.96904	1.1
232.96404	1.1
235.01276	0.6
237.02805	3.6
238.95326	3.1
240.96936	0.9
244.96394	1.1
246.02139	0.4
247.09944	0.8
253.02345	0.8
256.96411	9.8
265.11093	3.2
267.12802	1.1
274.97440	9.0
275.00314	0.7
279.97934	0.5
280.96506	0.8
283.12186	2.7
285.13785	0.5
289.11069	2.9
295.09088	0.4
298.97458	5.3
301.17914	0.5
301.65997	0.4
307.12173	9.6
309.13742	1.0
313.07098	1.4
314.96979	0.7
316.98514	24.0
319.12045	1.1
325.13254	2.7
332.98004	2.7
334.99542	9.2
335.03275	0.8
340.00027	1.7
345.06696	1.2
349.13113	1.2
352.11832	3.8
363.07837	2.6
387.07956	1.1
409.15500	2.5
429.08917	1.2
447.09796	0.7
459.16483	0.5
471.09772	0.7
471.30685	1.4
488.30414	0.5
489.11044	100.0
490.11084	1.3
507.12106	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	487.3424
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05502	9.5
59.51571	4.7
62.81142	5.3
65.03960	4.9
67.05515	25.9
68.12971	4.8
69.07063	11.1
70.84058	9.0
74.20932	5.2
77.57675	4.8
77.79102	4.4
79.05484	18.5
81.07062	49.5
83.08617	6.7
85.42850	5.6
86.09727	5.4
91.05482	14.2
93.07061	39.2
95.08617	78.0
97.06505	9.0
97.10181	6.3
98.98476	6.1
104.10751	4.8
105.07042	58.8
106.80004	5.6
107.08608	59.9
109.10177	42.0
117.07042	9.1
119.08604	49.0
121.10159	44.5
123.08108	6.2
123.11700	12.0
131.08585	28.5
133.10152	46.3
135.11694	25.4
137.13286	6.0
143.08559	12.4
145.10114	38.7
147.11711	45.3
149.13275	17.9
157.10144	12.2
159.11719	77.7
159.54298	4.7
161.13272	37.5
163.14854	36.1
169.10150	9.9
171.11696	13.8
173.11812	5.6
173.13274	100.0
175.14853	40.1
177.16449	9.3
183.11659	4.6
185.13290	17.2
187.14761	30.4
189.16414	22.6
191.17992	50.6
201.16402	10.0
203.17975	30.9
205.12296	6.2
205.19542	6.1
207.17520	6.1
213.16412	15.7
215.17986	11.3
217.19667	8.8
219.13873	24.0
221.15358	9.6
221.19026	7.0
231.13910	9.0
233.15430	19.2
235.17108	4.7
259.16910	14.8
261.18515	10.8
277.14584	6.0
377.32071	15.3
390.54514	6.1
395.33075	85.7
423.32700	38.1
441.33716	60.2
451.31998	12.2
469.33270	41.8
487.34222	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	488.2854
Annotation	Broussonetine X
Peak:m/z	Relative Intensity
53.03935	2.4
55.01867	1.3
55.05509	1.5
57.03438	1.0
57.07076	0.8
65.03949	0.6
67.05511	3.8
69.03439	2.9
69.07072	9.9
69.93635	3.2
71.04983	0.8
71.78536	0.7
73.54558	0.5
79.05499	13.4
81.03405	2.4
81.07056	10.8
83.04983	0.9
83.08577	0.6
85.02904	6.6
86.09708	100.0
91.05489	10.2
93.07049	27.3
94.07397	0.8
95.04970	2.7
95.08621	6.8
96.37188	0.6
97.02899	2.0
97.06564	1.2
98.37070	0.6
103.05466	5.9
105.04539	1.5
105.07025	4.1
107.04975	1.0
107.08588	11.9
109.02870	0.9
109.06531	1.9
109.10220	0.9
117.07027	2.8
119.08598	2.5
121.06507	37.2
121.10101	3.1
123.08102	0.7
127.03929	1.6
128.10736	1.0
129.07001	1.0
131.08591	3.0
132.10208	51.9
133.10153	5.6
133.49243	0.6
135.08072	2.6
135.11693	14.5
135.12720	0.7
141.03369	2.3
141.06943	0.9
145.04979	1.3
145.10153	1.5
147.11720	2.7
149.13275	11.7
151.14861	2.2
153.12808	1.4
155.08629	1.0
157.10155	0.7
159.08089	0.7
159.11696	3.2
164.07085	1.2
169.10205	0.8
171.11775	1.2
173.05931	0.9
173.13257	0.7
177.12730	7.3
183.11595	0.7
185.13289	0.6
189.12825	0.6
191.07059	1.5
192.13837	1.3
195.11868	0.8
195.13908	1.4
201.05389	36.2
201.12756	1.0
202.47476	0.6
203.14526	0.7
205.06586	1.0
207.11755	0.7
208.17027	0.8
210.06992	0.7
219.07965	0.8
221.05994	1.5
222.06767	1.5
225.12727	1.3
229.71957	0.7
233.05910	0.9
235.07518	3.4
237.09108	3.3
238.14343	1.4
243.13870	0.9
244.06165	1.3
247.07782	0.7
248.04710	1.4
249.05392	1.2
250.06316	1.3
254.17522	5.9
262.21652	13.5
263.06970	3.7
265.05341	1.3
265.08707	7.2
267.06580	1.1
280.07413	1.6
280.22855	2.8
282.08871	9.6
285.14960	1.2
290.21207	1.4
291.06473	4.4
291.71039	0.7
297.11261	5.7
301.18201	0.7
306.20685	0.8
308.06805	1.1
308.22195	53.8
310.24020	1.0
313.10898	0.7
323.09146	13.6
326.23260	19.9
336.21991	1.2
351.08563	1.3
364.11841	5.8
368.11359	0.9
398.23215	0.7
424.26834	0.9
460.17572	12.4
460.23709	1.0
470.27679	1.4
488.17035	9.8
488.28735	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3398
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
57.07063	1.0
66.14262	0.5
67.05490	1.3
71.53131	0.6
74.46006	0.7
81.07045	1.1
87.04481	1.6
93.07034	0.9
95.08584	1.5
105.06998	1.0
105.51557	0.5
106.43412	0.7
107.08574	0.9
109.10109	0.8
117.78139	0.6
120.08115	6.6
121.10082	1.1
147.11676	0.6
148.99780	0.7
161.13193	0.7
166.08690	3.3
219.73026	0.8
255.28789	0.6
359.00272	0.6
427.32144	1.8
469.32889	1.5
487.33960	100.0
488.34369	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
51.49370	0.7
55.05517	1.7
59.05010	0.8
67.05510	4.5
69.07081	3.8
71.04987	0.8
79.05522	1.9
81.07072	7.0
83.04987	3.2
83.08636	1.6
85.06509	0.9
91.05491	3.0
93.07049	5.8
94.05589	0.8
95.04951	0.9
95.08614	11.1
97.06544	1.0
97.10165	0.8
97.65562	0.7
99.08055	0.9
105.07026	7.5
105.98678	0.8
107.08598	10.0
107.17715	0.8
109.10174	7.1
111.08100	2.1
117.07018	1.4
119.08595	12.1
121.10155	7.7
123.08084	1.6
123.11710	2.7
125.09632	1.0
126.53290	0.8
128.30858	0.7
131.08609	3.8
133.10153	6.6
135.08043	0.9
135.11711	8.1
137.09645	1.6
137.13304	1.9
139.07558	1.0
143.08601	2.6
145.10129	4.8
147.11714	5.9
149.09612	1.7
149.13277	2.3
157.10165	3.0
158.10805	0.8
159.11743	5.0
161.09602	1.5
161.13292	3.7
163.07521	1.1
163.14835	1.8
165.09116	2.2
169.10152	1.8
171.11743	3.5
173.09743	1.0
173.13257	7.8
175.11194	1.4
175.14853	7.4
177.16428	1.7
182.11070	0.9
183.11684	1.6
185.09578	1.1
185.13298	2.6
187.11302	1.1
187.14844	7.6
189.12794	0.9
189.16425	8.2
191.14339	1.6
197.13338	2.3
199.11195	1.0
199.14874	1.9
201.12712	1.1
205.12247	1.0
205.15976	1.7
207.17480	2.3
213.16470	2.2
215.14331	6.9
215.17894	0.8
217.15959	2.3
219.13940	0.9
221.15376	1.1
227.14304	1.0
227.17987	0.9
229.13678	1.0
229.15916	1.7
231.13921	1.1
233.15453	3.8
235.16966	5.4
241.19644	0.9
243.17728	0.9
255.17484	0.9
261.14767	1.4
269.19061	2.1
271.17163	1.3
275.16550	1.1
287.20062	1.1
315.19687	1.2
405.31738	1.3
423.32892	4.9
441.33792	4.5
451.32199	1.6
469.33163	3.1
487.34280	100.0
488.34729	1.9
506.97342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3056
Annotation	Hydrocortisone cypionate
Peak:m/z	Relative Intensity
53.03939	5.0
55.01870	6.0
55.05510	15.1
56.05032	4.0
57.03440	5.6
60.04502	2.4
65.03932	2.5
67.05505	17.4
69.03420	11.1
69.07074	14.3
69.55679	15.3
70.06594	100.0
71.04983	4.1
71.06914	6.6
72.08154	17.9
79.05490	12.6
81.03413	12.4
81.07053	27.4
83.04991	6.1
83.08616	18.2
84.04504	5.5
84.08148	30.0
85.02908	8.8
85.06552	3.2
86.09710	83.2
87.05596	3.4
87.10043	8.7
88.03976	4.0
89.03924	2.6
91.05479	23.1
93.07044	39.3
95.04968	8.8
95.08611	41.0
97.02925	5.8
97.06543	17.0
98.20758	2.8
98.97594	3.5
99.04449	3.9
100.33399	2.3
102.05532	4.9
103.05463	3.9
105.07030	31.8
107.04937	5.4
107.08600	19.5
109.02898	5.2
109.06555	11.2
109.10155	9.5
110.07191	11.3
111.08097	14.2
115.08642	2.1
115.14272	2.1
116.07113	3.7
117.07069	4.6
119.04934	3.6
119.08597	20.9
119.32245	2.1
120.08082	5.8
121.06513	37.7
121.10139	9.2
123.08066	46.8
123.11681	2.5
125.05985	3.3
125.09570	2.8
127.03934	3.3
129.06981	6.9
129.10265	16.4
130.07703	2.3
131.04990	2.7
131.08571	22.4
133.06508	3.1
133.10130	14.7
135.08063	4.7
135.11693	4.2
136.07611	4.1
137.05974	7.9
137.09613	11.3
139.07571	12.2
141.09106	7.4
142.07782	4.3
143.08583	10.0
145.02795	2.5
145.06487	4.8
145.10104	20.1
147.04430	3.1
147.08015	6.2
147.11716	6.8
149.05983	3.7
149.09618	12.6
149.13318	3.0
151.07578	3.4
151.11192	9.6
155.08545	7.2
157.10094	11.7
159.07999	6.1
159.11719	9.3
161.09601	8.2
161.13280	2.6
163.03889	24.1
163.11198	16.0
165.12747	5.6
167.10652	16.4
169.10081	6.7
171.08051	12.2
171.11636	5.5
173.09630	25.4
173.13246	34.1
175.08815	2.9
175.11195	3.5
175.14873	2.7
177.00548	2.6
177.05479	8.7
178.05846	2.3
181.10118	5.4
183.11681	9.6
185.09598	5.7
185.13235	11.7
187.11159	7.8
187.14806	3.2
189.09148	6.1
189.12747	2.6
191.08174	23.6
191.10660	5.2
191.14348	3.4
192.08528	16.5
193.10149	4.3
195.11717	9.2
197.09642	4.3
197.13275	7.0
198.10449	4.9
199.11156	8.0
199.14740	3.3
199.18025	10.6
200.18388	2.6
201.12706	10.6
203.14230	2.9
207.09911	3.1
207.11664	2.9
209.13399	4.8
211.11191	2.6
211.14948	2.8
213.12737	41.4
215.14355	3.8
221.13237	3.5
223.11201	4.6
223.14842	4.9
225.12730	4.9
225.16399	2.9
227.17805	3.0
229.12312	3.7
229.15479	12.5
230.15788	4.3
231.13782	16.7
235.11160	2.5
235.14772	3.8
237.12752	3.0
237.16261	2.6
239.14253	3.3
241.12242	4.5
241.15936	4.7
243.13852	2.5
243.17473	3.4
249.14792	8.4
251.14288	2.5
253.15820	7.1
255.17474	4.7
261.14624	3.7
261.18646	11.7
265.15857	6.2
265.19449	2.8
269.15454	2.8
271.16959	8.6
283.16904	17.7
283.20221	3.8
293.19061	10.6
299.16238	2.7
301.18005	72.9
301.21252	4.4
303.19434	3.3
307.12799	2.8
308.13257	10.0
311.20047	30.1
313.21600	3.1
325.13739	3.2
326.14209	7.1
327.19406	3.2
329.21100	39.5
331.22635	7.3
332.13391	3.3
347.22159	50.0
353.21115	5.3
375.21793	2.5
383.20074	2.9
415.26096	2.7
416.15683	2.6
433.27457	11.1
434.16660	6.3
451.28464	82.0
452.17435	8.7
455.14511	2.9
469.29575	77.7
487.21375	44.0
487.30508	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3058
Annotation	Hydrocortisone cypionate
Peak:m/z	Relative Intensity
53.03946	2.3
55.01869	4.2
55.05521	9.0
57.03444	2.1
59.04988	1.6
65.03938	2.0
67.05510	18.5
68.18784	1.3
69.03430	5.4
69.07080	16.3
69.83505	7.3
70.06596	13.0
71.04995	2.3
71.57461	1.3
72.08157	5.3
74.06011	1.2
77.03948	1.5
79.05496	21.1
80.51060	1.3
81.03454	9.1
81.07066	35.4
83.04977	3.9
83.08630	8.7
84.04504	2.0
84.08137	6.2
85.02922	4.5
85.06553	2.6
86.09707	11.4
87.04500	1.8
91.05487	27.5
93.07052	49.2
95.04964	9.7
95.08612	45.7
97.02903	2.9
97.06534	20.5
99.08125	2.3
103.05439	1.8
105.03392	6.0
105.04539	2.3
105.07038	29.3
107.04970	5.8
107.08598	31.2
109.06551	10.6
109.10160	11.2
110.07188	3.4
111.08096	9.8
115.05434	2.3
117.07011	8.6
119.04956	5.2
119.08586	17.5
120.08119	3.0
121.06508	26.6
121.10152	22.5
123.08080	38.0
123.11739	5.4
125.05977	2.3
125.09647	8.1
127.03933	1.9
128.00688	1.4
128.06238	3.7
129.06990	5.7
129.10236	3.3
130.07780	2.7
131.08582	33.2
133.06529	3.2
133.10124	15.7
135.04433	1.4
135.08090	6.9
135.11697	5.5
137.05991	12.3
137.09621	5.5
139.07570	6.3
139.11165	4.8
141.07014	3.2
141.09106	3.7
142.07788	2.4
143.08563	13.6
144.09464	1.6
145.02811	1.8
145.06512	2.6
145.10139	42.2
145.11304	2.2
147.04413	1.9
147.08051	9.0
147.11707	7.9
148.26181	1.4
149.05974	2.1
149.09631	37.7
149.13213	1.5
150.10391	3.3
151.07541	3.0
151.11191	7.3
152.84073	1.4
154.07709	1.3
155.08511	7.1
157.10172	10.0
158.07191	1.9
159.08049	8.8
159.11719	18.4
161.06009	1.7
161.09575	8.7
161.13286	4.6
163.03943	5.8
163.07581	2.9
163.11221	6.1
165.09138	11.5
167.07097	1.9
167.08540	2.2
167.10678	35.5
169.10144	7.3
170.10944	1.5
171.08018	8.0
171.11682	8.8
173.09642	21.0
173.13268	18.6
175.11159	6.9
175.14850	1.8
177.05542	3.7
177.09128	2.0
177.12752	2.6
179.08495	2.3
181.10150	4.3
181.12096	1.4
183.11728	5.6
185.09621	3.2
185.13254	3.5
187.11183	6.8
187.14824	1.4
189.09116	4.4
189.12744	11.1
191.09003	1.5
191.10707	10.9
191.14291	4.1
193.10213	2.7
195.11792	5.3
197.09557	3.3
197.13248	5.0
199.11221	4.5
199.14867	2.6
201.12772	8.5
203.10675	3.9
203.14348	4.0
205.12271	6.0
207.11826	2.1
209.09761	1.6
209.13419	3.4
210.61603	1.4
211.11191	3.4
211.14653	2.1
213.12790	5.0
215.14230	2.6
219.11856	1.7
219.13803	39.0
221.09683	1.6
221.13397	1.9
223.11174	3.2
223.14883	2.4
225.12656	6.5
225.16306	2.4
227.14336	3.3
229.12224	3.7
229.15799	3.0
230.38991	1.6
231.13878	3.2
232.12627	1.9
233.13469	2.1
235.14888	4.4
237.12758	2.7
237.16391	4.1
239.14407	3.2
241.15894	1.7
247.13136	2.8
247.15100	2.1
247.17065	1.5
250.13635	1.5
253.15933	2.8
255.17500	2.8
263.14301	2.1
265.16241	8.0
267.17514	4.1
269.15479	1.6
281.15335	3.3
283.16943	15.8
285.18573	5.6
291.17474	1.6
293.19003	7.3
297.18585	1.9
299.16592	7.3
301.17996	100.0
302.18518	3.7
303.19608	7.4
311.20123	11.0
313.18146	2.5
319.19308	1.8
321.18497	5.7
327.19785	1.6
329.21024	10.8
339.19479	15.1
347.22162	3.4
357.20593	22.9
371.22427	4.1
375.21735	8.4
401.19855	1.4
415.26379	4.4
423.29468	1.8
427.28564	1.8
433.27292	13.8
451.28458	40.2
469.29556	73.3
481.47107	1.5
487.23444	5.2
487.30609	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
53.68012	0.7
55.01854	1.4
56.05024	1.2
57.03431	2.0
61.02949	0.9
69.03430	11.2
70.06594	12.5
71.02618	2.1
71.04983	4.6
72.08151	3.9
73.02904	1.1
81.03419	15.5
84.04506	2.8
84.08144	3.1
85.02906	3.5
86.09707	11.2
91.05488	1.3
99.04466	6.1
110.07151	1.4
115.08687	0.9
117.03352	1.2
117.05513	1.6
118.06551	3.0
129.10236	1.1
136.07565	1.0
145.02863	1.5
145.07568	4.6
147.09157	5.3
163.03896	6.9
173.07098	9.7
175.08641	6.0
177.05457	3.2
191.08157	100.0
197.12857	1.1
233.09296	1.7
245.11292	3.4
245.18614	1.6
307.12875	27.5
325.13934	86.4
326.14267	1.4
487.21509	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3057
Annotation	Hydrocortisone cypionate
Peak:m/z	Relative Intensity
52.44748	1.2
53.03944	2.7
55.01863	1.6
55.05506	4.4
59.05001	1.3
59.36975	1.1
59.54937	1.1
61.98611	1.1
67.05510	11.0
69.03428	1.4
69.07063	10.8
70.20269	4.7
79.05490	13.9
81.03423	5.8
81.07058	24.3
82.40544	1.2
83.04960	2.7
83.08616	2.4
86.09684	2.4
91.05482	16.3
92.19971	1.1
93.07043	27.4
95.04964	5.6
95.08617	28.4
95.62711	1.1
96.53451	1.2
97.06530	22.9
99.08121	2.8
103.05482	1.3
105.03390	1.7
105.07042	20.8
107.08598	16.5
109.06536	6.2
109.10156	5.7
111.08070	3.9
117.07024	5.3
119.05002	2.6
119.08588	9.5
121.06535	13.6
121.10140	14.5
123.08071	30.1
123.11742	2.7
125.06087	1.2
125.09634	3.4
128.06226	2.2
129.06987	1.9
130.07811	1.4
131.08568	18.8
133.06458	2.5
133.10129	9.5
135.08086	3.7
135.11690	2.4
137.05966	5.4
137.09605	1.6
141.07030	2.0
141.09038	1.4
142.07817	2.7
143.08551	6.7
144.09341	1.4
145.06448	2.0
145.10130	29.4
145.11293	1.8
147.08092	2.9
147.11659	3.8
149.09628	19.6
149.13245	1.8
150.10414	1.3
151.11201	2.9
152.29675	1.3
153.09204	1.4
155.07108	1.7
155.08580	4.0
157.10120	4.4
159.08064	4.1
159.11696	13.6
161.09650	4.4
163.11276	2.5
163.14896	1.8
165.09167	1.1
167.08589	1.8
167.10690	24.9
169.10156	2.9
171.08080	4.4
171.11719	3.9
173.09637	12.9
173.13264	10.5
175.11201	2.8
179.08636	1.9
181.10112	2.7
182.10909	1.8
183.08028	2.0
183.11659	3.3
185.09657	4.1
185.13237	1.7
187.11217	4.8
189.09149	2.4
189.12840	5.9
191.10600	7.7
191.14330	3.1
193.10156	3.0
195.11781	3.4
197.09543	3.3
197.13211	4.1
199.14919	1.5
201.12747	5.4
205.10321	1.4
205.12262	4.8
207.11710	2.2
209.13324	3.4
211.11217	2.5
213.12675	2.5
219.13812	22.3
221.13438	1.8
222.14061	1.5
223.11227	2.9
223.14732	1.6
225.12775	4.1
227.14281	2.2
229.12274	1.6
231.13766	2.0
235.14836	2.2
237.16466	3.0
239.14348	2.3
243.13742	1.4
247.13072	2.2
251.14447	1.6
263.14316	1.8
265.15836	4.9
267.17612	1.9
281.15378	2.2
283.16916	14.2
285.18576	2.9
293.19034	4.8
299.16476	6.4
301.17987	100.0
302.18582	2.1
303.19528	5.3
311.20087	7.5
319.19125	1.6
321.18613	2.2
329.21246	6.3
339.19553	11.2
347.22342	2.4
357.20609	17.2
375.21802	4.3
415.26422	2.3
433.27597	6.4
451.28436	24.9
469.29544	39.2
487.30566	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34757	0.6
53.03923	0.6
55.05505	1.5
67.05504	2.6
69.03427	3.0
69.07078	6.3
69.36762	4.8
70.06596	10.3
71.04986	2.3
72.08141	1.3
79.05479	3.2
81.07053	4.6
84.08151	2.1
85.02928	4.4
86.09710	100.0
91.05489	9.8
93.07050	2.6
95.04974	1.1
95.08608	2.5
97.01020	0.7
97.02897	1.7
97.06550	0.8
99.04447	1.0
103.05521	0.7
104.11526	0.7
105.07040	20.5
107.04995	0.8
107.08609	1.9
109.05042	0.7
109.06542	1.0
110.07174	1.1
117.06980	1.0
119.08582	6.6
120.08125	2.5
121.06546	1.7
121.89851	0.7
123.08031	1.2
127.03876	0.7
129.07048	1.0
129.10234	1.0
131.08572	8.0
132.10208	52.7
133.10132	13.9
145.02843	1.3
145.10139	1.6
147.07962	0.8
147.11681	13.2
149.09619	2.4
149.13293	1.0
151.11163	5.8
175.11192	7.0
177.05521	3.0
178.05817	0.9
185.16782	0.7
190.50966	0.7
192.13866	3.1
193.12259	2.3
199.18123	2.6
201.05563	1.1
208.17155	0.9
227.17508	1.0
229.15523	2.9
235.07576	0.8
236.16464	1.0
238.14481	2.7
254.17601	1.2
260.20154	6.7
278.21213	7.3
282.17148	1.0
306.20630	26.5
323.09210	1.3
324.21719	24.0
324.25623	1.2
363.57870	0.8
409.03400	0.8
443.55566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.155
Annotation	SCHEMBL5971552
Peak:m/z	Relative Intensity
51.02363	1.1
53.03943	4.2
55.01884	0.7
56.96552	0.6
58.32162	0.5
65.03931	0.6
67.05505	0.7
69.30669	0.5
72.08115	0.5
77.03923	1.2
81.03395	0.5
81.07042	1.0
86.09697	0.8
91.05485	14.0
93.07047	20.7
94.07372	0.8
95.04971	4.2
95.08592	1.1
100.47212	0.5
103.05467	16.9
105.04504	1.8
105.07060	0.6
107.08637	0.7
109.06503	0.5
111.09902	0.4
118.08625	0.4
119.08592	1.2
120.05626	0.4
121.06507	100.0
132.09023	0.5
133.16382	0.5
135.08029	0.6
142.52837	0.5
144.08121	0.5
145.02722	0.5
145.10239	0.6
148.11990	0.5
157.10104	0.6
173.13303	0.8
174.13651	0.5
187.14766	0.9
188.15222	0.6
191.18004	0.6
199.86967	0.5
213.14047	0.6
250.06207	0.5
259.03937	0.9
260.07135	0.8
263.07050	1.3
265.05103	0.5
288.06570	1.1
290.04526	0.7
291.06641	2.4
305.06931	1.2
306.07736	0.8
316.06064	1.9
323.09106	2.2
334.07043	3.5
348.08536	5.2
349.07043	1.0
350.06625	0.7
351.07233	1.3
366.09723	19.0
440.32272	1.3
442.66843	1.1
443.16803	0.8
451.18228	1.4
451.68634	0.8
465.18204	2.4
465.68246	1.0
486.15497	74.7
487.15833	1.1
500.42548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02046	8.7
54.71832	8.6
55.05501	31.5
57.07084	73.4
67.05491	26.3
68.59850	10.8
69.07073	61.3
69.69940	15.8
69.70350	40.3
71.08628	51.3
79.05478	31.2
79.18134	9.3
80.16193	8.8
81.07056	95.5
83.08606	51.9
85.06562	18.7
85.10186	22.7
88.07645	13.9
91.05486	36.3
93.07030	52.8
95.05005	16.6
95.08624	67.1
97.10164	24.2
98.21561	10.2
105.07068	68.5
107.08610	57.7
109.06540	49.6
109.10148	35.0
117.06995	13.8
119.08577	52.8
121.10136	43.9
123.11690	20.5
131.08589	35.6
133.10114	35.6
135.08064	54.1
135.11742	15.4
143.08539	25.8
145.10127	44.1
147.11703	34.2
149.13290	12.2
155.08548	11.6
157.10164	31.5
159.11710	47.5
161.13283	20.3
171.11639	16.3
173.13202	11.3
185.13242	16.9
199.14687	12.2
200.20078	21.0
201.12914	11.9
201.20404	17.6
203.17796	11.4
219.13890	12.9
228.23247	18.5
229.23640	15.0
269.24991	9.8
284.26697	14.8
290.29996	9.3
312.29434	11.0
343.33499	15.9
401.37695	10.4
409.38339	13.4
427.39423	16.0
449.41788	17.0
467.42328	27.3
485.35934	56.9
485.48703	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02378	0.6
53.03949	3.4
55.01866	0.8
55.05505	0.3
57.07079	0.3
65.03938	0.5
67.05504	0.8
68.05830	0.2
68.48203	0.2
69.07067	0.8
69.32629	1.6
70.06580	0.3
70.07388	0.3
77.03920	1.3
79.05499	1.0
80.05814	0.2
81.03409	0.7
81.07056	1.8
82.07405	0.5
83.08604	0.3
83.13590	0.2
84.08919	0.2
85.02890	0.2
86.09696	0.2
91.05483	16.1
92.05794	0.3
93.07046	21.8
94.07349	0.8
95.04372	0.3
95.04973	4.5
95.08613	2.6
96.08956	1.3
97.10182	0.4
103.05469	16.8
105.04524	2.0
105.07021	2.2
106.07381	1.1
107.04916	0.4
107.07773	0.3
107.08599	1.4
108.08926	0.8
109.09412	0.3
109.10168	1.2
110.10522	1.0
111.10824	0.3
119.08569	1.7
120.05687	0.2
120.08177	0.2
120.08942	1.4
121.06507	100.0
121.10045	1.6
122.06821	0.4
122.10471	0.9
123.11707	0.7
124.12038	0.4
126.03758	0.5
127.03900	0.3
130.07349	0.2
131.08598	1.3
132.08899	1.3
133.09277	0.3
133.10117	1.3
134.10493	1.0
135.08064	0.3
135.10820	0.2
135.11711	1.3
136.12036	0.8
137.12369	0.3
140.05307	1.0
143.08585	0.4
144.08972	0.3
145.10146	1.2
146.10481	1.0
147.11800	1.0
148.12032	0.9
149.13303	0.6
150.13626	0.5
151.13876	0.2
158.10843	0.3
159.11742	1.3
160.12030	1.1
161.12134	0.2
161.13293	0.8
162.13629	0.9
163.03935	0.3
163.14922	0.3
164.15266	0.3
171.11743	0.4
172.12056	0.7
173.13269	2.8
174.13600	3.5
175.13809	1.1
176.07112	0.3
176.15273	0.3
176.80812	0.2
181.65672	0.2
181.77089	0.2
185.13298	0.4
186.13593	0.7
187.14873	3.3
188.15173	5.1
189.15370	1.7
190.16789	0.2
191.17984	2.6
192.18311	3.9
193.18613	1.6
202.16592	0.3
203.18040	0.9
204.18266	1.5
205.18428	0.8
206.19946	0.4
207.20180	0.3
216.18324	0.4
218.19850	0.4
219.20158	0.3
220.11627	0.5
220.14099	0.3
222.15610	0.2
233.15387	0.8
234.15781	1.2
235.07584	0.4
235.15973	1.1
237.05443	0.2
238.12489	0.5
239.07076	0.2
246.15723	0.4
247.16876	0.8
248.04768	0.2
248.17339	2.2
249.17517	1.6
250.17798	0.4
259.03949	0.5
260.07062	0.7
261.05380	0.3
263.07150	1.1
265.05096	0.3
270.11343	0.5
276.04214	0.3
276.14069	0.2
278.05597	0.3
278.08356	0.4
280.07233	0.4
282.05139	0.6
288.06573	1.0
290.04529	0.3
291.06543	1.7
303.01541	0.2
305.06854	1.1
306.04758	1.4
306.07986	0.6
307.06094	0.3
308.06912	0.5
312.44800	0.2
316.06100	1.9
317.04416	0.2
321.07367	0.4
323.09128	1.6
324.06436	0.2
333.06387	0.4
334.07120	3.7
339.17310	0.4
348.08691	3.2
349.07059	1.7
350.06525	1.8
351.07620	1.3
352.08090	0.2
366.09720	20.8
367.10223	0.2
379.32718	0.2
380.11240	0.6
392.11472	0.4
411.18643	0.2
438.34998	0.3
439.34857	0.7
440.35172	1.1
461.46481	0.2
485.35635	1.1
486.15479	69.8
487.15900	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23580	0.9
53.03920	1.1
54.04795	1.1
55.01866	1.2
55.05493	4.3
57.03436	3.2
57.07053	1.2
64.63589	1.1
65.03968	1.4
67.05508	8.3
69.03403	2.0
69.07072	3.2
70.06561	1.8
71.01361	2.6
73.02894	2.8
75.04480	2.2
79.05499	6.8
81.06597	1.4
81.07063	25.4
83.01319	1.3
83.04975	1.1
83.08605	3.0
85.02914	11.6
91.05479	8.3
93.07044	21.7
95.01328	7.3
95.04956	3.9
95.08615	28.9
97.02891	1.9
97.06525	3.6
99.00805	1.7
103.03940	2.2
105.07042	24.2
107.04954	1.2
107.08600	26.4
109.06511	2.7
109.10141	8.3
109.61534	1.1
110.07191	1.2
113.02364	5.0
113.06004	1.3
117.07034	1.9
119.04911	1.3
119.08587	45.1
121.06490	2.9
121.10151	37.0
123.08075	11.6
123.11702	2.4
125.09628	2.4
127.40081	1.1
129.06960	1.6
131.08560	3.9
133.10143	33.7
135.08055	7.6
135.10725	1.2
135.11694	19.8
137.09615	3.3
141.01846	11.3
143.08560	3.8
145.10168	4.9
147.08032	3.6
147.11708	14.7
157.10112	3.3
159.02924	2.0
159.11703	11.9
161.09637	6.7
161.13266	31.5
169.10138	1.1
171.11647	2.3
173.13271	2.3
175.11195	2.5
175.14873	1.7
177.05513	1.3
185.04237	1.6
189.12788	3.0
189.16393	100.0
199.14818	4.1
215.05444	1.5
217.15900	36.9
233.06618	1.9
235.13353	1.9
235.16949	32.6
238.12914	1.0
287.79324	1.0
309.20636	10.8
393.19135	2.2
485.23059	2.0
485.29294	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94583	0.6
52.13017	0.7
53.03930	0.6
55.05520	3.4
57.03437	6.4
57.07078	23.5
62.73923	0.8
67.05506	4.4
69.07064	3.7
70.96571	1.6
71.08634	17.7
81.07059	8.0
83.08615	4.7
84.23213	0.7
85.10183	9.1
89.06033	1.7
93.07035	1.0
95.08599	10.8
97.10147	2.2
98.98471	5.0
103.07578	1.2
103.27847	0.7
109.10168	4.0
111.11665	1.0
123.11694	1.2
155.01041	3.4
191.02934	0.7
239.23695	1.5
313.27365	100.0
373.27182	1.4
449.26767	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3265
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
56.96564	5.5
57.07074	4.1
63.63382	5.7
67.05508	11.5
69.07047	7.6
70.93584	8.1
70.93900	8.8
79.05491	10.0
81.07048	31.3
83.08636	9.7
90.86079	5.7
91.05472	10.2
93.07043	25.9
95.08631	28.9
104.99284	49.9
105.07047	43.3
107.08602	28.6
109.10159	16.4
117.07034	6.0
119.08589	28.1
121.10115	25.7
123.11679	5.0
131.08559	31.3
133.10146	31.3
135.08073	5.9
135.11732	13.6
136.93129	5.9
145.10143	26.8
147.11676	15.4
149.13254	14.8
157.10126	8.6
158.10878	7.3
159.11716	39.2
161.13319	12.8
163.11197	18.0
163.14793	13.3
165.99632	4.9
171.11708	15.5
173.13274	38.5
175.11172	6.6
175.14861	19.8
179.80650	5.0
185.13226	11.5
186.96750	8.6
187.14821	100.0
189.16382	29.3
193.12169	5.4
201.16502	8.3
205.15921	42.0
207.17416	13.1
209.98509	5.6
213.16451	11.5
219.13863	11.2
233.15350	94.9
296.07364	5.4
317.17877	16.1
365.20721	9.4
393.31561	84.6
395.33127	6.1
421.30893	15.8
425.30447	5.6
439.32098	45.1
467.31799	25.3
485.25909	7.2
485.32523	87.9
485.47388	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	485.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.8
56.96571	12.5
58.69163	1.4
58.93319	1.3
67.05500	4.1
69.07060	3.8
69.35284	7.0
69.35705	3.9
71.08640	1.7
71.95257	2.7
74.97623	1.4
76.82164	1.5
79.05451	1.4
81.07038	3.9
83.08621	4.1
93.07063	2.0
95.08607	3.2
97.10157	1.6
98.97569	1.6
102.92589	1.4
107.08575	2.5
109.10172	1.7
109.27716	1.5
110.97561	2.6
116.98608	1.6
117.03382	1.8
118.92090	7.2
119.08567	3.2
128.98622	2.6
131.08586	1.9
133.10074	1.5
136.93123	15.6
145.02798	2.8
146.98167	3.1
147.19615	1.4
150.94579	8.1
150.95628	4.8
154.94173	22.1
156.82637	1.7
168.95741	38.1
172.95247	16.4
173.13274	3.1
177.05440	6.7
184.07356	1.7
186.96800	70.8
190.96320	5.4
191.97350	4.2
195.96748	2.2
204.97859	25.6
209.98372	10.8
210.96774	3.8
212.98471	1.7
224.98315	8.5
226.99957	4.1
227.99420	4.0
228.97868	9.8
242.99477	9.5
247.99997	2.4
311.25690	2.6
312.26141	2.8
313.26550	6.2
315.16287	2.3
317.17896	100.0
335.18982	25.5
357.72098	1.5
358.20535	13.9
373.20795	2.3
411.16071	8.1
425.17743	7.7
453.17206	28.1
459.51901	1.5
467.18597	10.6
467.31299	2.4
471.18277	32.9
480.29031	1.5
485.19669	43.1
485.26422	16.8
485.32294	1.7
494.20035	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	485.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.05513	8.4
57.03429	4.3
57.07079	1.5
57.99424	0.9
62.46227	1.0
65.03941	1.9
67.05511	11.5
69.03420	3.4
69.07074	5.4
70.06601	6.8
71.01366	1.3
71.04966	1.6
73.02912	3.1
79.05487	11.1
81.06586	1.9
81.07057	30.9
83.04980	2.6
83.08604	2.9
84.08126	4.3
85.02908	13.6
85.06565	1.2
86.09687	5.0
91.05479	17.5
93.07040	30.8
93.51674	0.9
95.01335	6.4
95.04988	5.5
95.08606	31.4
97.02876	2.4
97.06530	7.9
99.00805	1.2
99.04485	1.4
103.03973	1.0
103.05443	1.2
105.07031	33.9
107.08595	34.0
109.06524	16.8
109.10160	10.1
111.08070	3.9
113.02369	4.9
116.06994	1.1
117.07027	4.3
119.08585	54.1
120.08112	1.2
121.06532	5.2
121.10149	39.9
123.08067	17.0
123.11717	4.2
125.09639	3.9
129.07018	1.7
129.10262	1.5
131.03369	1.9
131.08575	10.1
133.10132	36.4
134.10573	0.9
135.04477	1.3
135.08069	10.9
135.11687	28.7
135.12718	1.6
137.05948	3.8
137.09608	6.3
139.07542	2.6
141.01830	14.2
142.07787	1.6
143.08540	6.8
145.06422	1.4
145.10139	10.2
147.08052	4.9
147.11705	15.1
149.09631	3.3
151.07587	1.4
153.09155	1.1
155.08514	1.0
156.09331	1.0
157.10127	3.7
159.02910	2.9
159.08015	2.1
159.11711	15.9
161.09616	10.2
161.13258	34.5
163.11008	1.0
165.09138	2.9
167.10660	1.5
169.10153	2.9
171.08080	1.5
171.11678	3.5
173.09612	4.2
173.13278	4.5
175.11177	3.0
175.14738	2.3
177.05437	1.6
181.10091	1.3
183.11700	1.4
185.04160	2.5
185.09647	2.1
185.13316	1.4
187.11160	1.4
187.14824	1.7
189.09120	1.8
189.12740	3.4
189.16386	100.0
191.10661	2.1
193.10170	1.4
195.11705	1.9
197.13303	1.5
199.11211	1.8
199.14813	5.6
201.12715	1.2
202.36513	1.1
207.11803	1.5
209.13297	1.2
211.14850	1.5
213.12775	2.4
213.16286	1.0
215.05444	2.5
215.14491	1.3
217.15875	42.3
223.14946	1.4
225.12773	2.1
233.06467	1.1
235.14949	1.2
235.16927	29.3
235.19368	1.4
237.12845	1.2
237.16422	1.1
239.14383	1.7
241.15984	1.7
243.17268	2.0
254.75073	1.2
255.17467	1.9
263.14236	1.1
265.15945	2.9
283.16980	5.6
299.16452	2.1
301.17975	22.9
302.18893	1.2
309.07758	1.2
309.20554	9.9
323.05383	1.7
329.21005	3.8
339.19696	1.2
379.08252	1.2
393.19473	1.3
405.22583	3.6
423.25250	3.6
437.26547	2.7
449.26828	3.4
467.27841	8.9
485.10574	20.1
485.24023	2.1
485.29285	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	485.163
Annotation	Rubinaphthin B
Peak:m/z	Relative Intensity
55.05510	0.5
56.05027	0.4
57.03447	0.3
60.04530	0.4
60.05663	0.3
64.82515	0.3
69.03423	0.8
70.06595	6.3
71.04988	1.7
71.52176	0.3
72.08163	2.5
74.06065	0.3
81.03421	0.3
84.04516	1.3
84.08154	3.2
85.02917	2.4
86.09708	2.3
86.10155	0.4
89.03936	0.3
91.05495	0.7
98.06049	0.5
98.97603	0.3
101.07131	0.3
102.05531	0.3
107.04984	0.3
109.02900	0.4
110.07168	1.3
112.08746	0.5
115.08691	0.3
116.07116	0.5
117.03361	0.5
119.04984	0.3
120.08138	0.4
120.99551	0.3
121.06546	0.3
123.20562	0.3
127.08656	0.4
129.05498	0.5
129.10260	1.6
135.04460	0.4
136.07547	0.6
137.05988	0.5
145.02834	2.0
145.04968	0.3
147.04434	0.6
151.03899	0.4
151.07516	0.4
152.07083	0.3
161.05940	0.3
163.03897	1.2
164.07092	0.7
167.07036	0.3
177.05446	3.5
177.06873	0.3
199.07350	0.3
201.23749	0.2
202.08759	0.3
203.71370	0.3
220.09749	0.3
245.39052	0.3
249.65048	0.3
268.04529	0.3
269.20883	0.3
305.11444	0.4
353.11594	1.0
485.16324	100.0
486.16479	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
57.07067	4.0
67.05503	8.0
69.07062	9.6
69.47043	7.5
79.05488	6.8
81.07067	18.5
83.08630	5.3
88.02442	1.2
91.05464	6.2
93.07050	20.8
95.08616	37.5
97.10184	2.4
105.07044	24.4
107.08607	25.5
109.10165	22.3
117.07020	3.7
119.08595	25.5
121.10155	24.5
123.11719	12.3
123.99722	1.2
131.04913	1.3
131.08575	25.8
133.10139	20.4
135.11707	23.9
137.13284	4.7
143.08580	5.3
145.10124	24.6
147.11688	22.2
149.13264	14.2
157.10127	6.8
158.10875	6.0
159.11702	30.5
159.13029	1.6
161.13271	19.0
163.07555	4.1
163.14818	9.8
169.10216	1.4
171.11684	10.0
172.12505	1.4
173.13278	76.8
175.14844	6.6
177.16417	2.5
185.13284	12.1
187.14838	100.0
188.15265	1.3
189.16396	10.0
191.17963	76.2
193.12238	1.6
197.13281	3.4
199.14810	4.2
201.12738	2.1
201.16411	6.4
203.17972	32.1
203.19780	2.2
205.19527	15.4
207.13768	3.5
211.14893	1.4
213.16316	3.1
215.14403	1.3
215.17937	5.7
216.51140	1.3
217.19525	9.1
219.13818	5.0
221.15356	3.8
229.19669	1.3
231.13730	2.3
231.21121	2.6
233.15387	34.2
235.17036	1.7
239.17984	2.7
243.21082	1.5
245.13205	1.3
245.15416	8.2
247.16959	50.9
259.16974	1.8
267.99274	1.4
273.18704	2.1
275.20056	2.0
347.83936	1.1
377.32016	6.3
399.25192	1.4
423.32614	3.3
437.34183	22.2
465.33667	2.0
483.34769	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	483.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
57.07076	3.3
58.61998	1.4
61.77660	1.6
64.81905	1.6
67.05507	10.8
69.07072	11.0
71.02929	3.6
71.03278	1.9
79.05506	8.0
81.07064	26.7
83.08620	5.9
84.63174	1.4
86.86447	1.6
91.05481	5.7
93.07039	19.0
95.08613	39.8
97.10163	1.7
98.18641	1.7
105.07037	28.2
107.08607	27.5
109.10163	29.6
117.07007	2.2
119.08588	31.5
121.10147	25.9
123.11706	15.4
129.07065	1.9
131.08563	27.9
133.10144	21.7
135.11705	22.7
137.13266	4.9
141.53397	1.7
143.08572	5.7
145.10143	25.0
147.11705	23.1
149.13280	17.7
157.10158	5.1
158.10881	7.4
159.11697	31.2
161.13263	25.1
161.14598	1.8
163.07591	4.8
163.14803	8.3
169.10068	3.2
171.11707	11.3
173.13275	91.6
174.77669	1.6
175.14845	10.6
177.16429	3.2
185.13286	14.3
187.14838	100.0
188.15228	1.7
189.16409	10.9
191.17953	83.4
193.12318	1.9
197.13339	2.2
199.14760	3.7
201.12733	2.3
201.16434	6.1
203.17972	40.3
205.19482	16.4
207.13783	3.8
213.16414	3.4
215.17950	4.5
217.19484	9.4
219.13809	7.4
221.15410	4.7
225.16470	2.8
227.17953	2.2
231.13823	2.9
233.15382	36.0
241.19498	2.0
245.15332	9.9
247.16946	47.2
259.17029	3.2
265.59711	2.1
266.88803	1.7
267.36060	1.8
269.22702	3.2
275.20181	2.2
317.90594	1.8
324.71338	1.6
377.32132	5.3
404.17584	1.5
423.32831	4.0
437.34167	25.9
465.33765	2.1
483.34717	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05514	5.2
57.07069	3.5
58.08139	1.0
67.05512	7.7
67.27453	1.0
67.61930	1.0
67.69692	1.1
68.52728	1.1
69.07072	9.7
70.06587	1.2
70.75835	1.5
70.76155	1.9
79.05497	7.1
81.07059	19.9
83.08612	4.1
84.48547	0.9
85.74694	0.9
91.05473	6.8
93.07043	20.7
95.04968	1.0
95.08612	33.8
97.10178	2.8
98.21432	1.2
103.05476	2.1
105.07037	28.2
107.08599	22.1
109.10163	20.9
111.11697	1.0
117.07025	2.3
119.08589	27.2
121.06500	3.0
121.10155	25.8
123.11691	9.8
131.04924	1.9
131.07593	1.9
131.08578	28.7
133.10133	19.0
135.11708	17.5
137.13252	4.3
142.58444	1.0
143.08565	6.0
144.09351	2.1
145.02917	1.3
145.10124	22.8
147.11688	20.3
149.13272	15.9
155.08540	1.4
157.10112	3.9
158.10922	6.2
159.08035	1.5
159.11713	27.7
161.13263	19.1
163.07504	3.5
163.14827	6.8
169.10129	1.8
171.11682	8.4
173.13275	71.0
175.14833	8.4
177.16447	2.1
183.11795	1.9
185.13246	11.2
187.14839	100.0
189.16382	10.7
191.17955	81.1
197.13382	2.2
199.14813	4.3
201.12695	2.0
201.16479	5.4
203.17967	32.1
205.19495	14.6
207.13782	3.4
208.39333	1.0
213.16449	1.9
215.14259	2.0
215.17963	3.9
217.19553	7.0
219.13783	4.9
219.21033	1.5
221.15402	3.4
227.17973	2.3
229.19485	2.1
231.13795	2.4
231.21153	1.9
233.15378	31.0
239.17975	2.0
243.21158	1.2
245.15359	5.7
245.22978	1.4
247.16951	51.0
259.17029	2.5
261.18469	1.1
269.22635	1.5
273.18607	1.6
273.70294	1.2
275.20129	1.7
293.17667	1.0
377.32007	5.3
423.32632	2.7
437.34177	20.9
439.78650	1.3
465.33398	1.8
483.34882	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	483.347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.6
57.07067	4.1
63.29333	1.2
67.05502	9.8
69.07069	14.3
70.77299	4.0
79.05490	8.9
81.07059	26.1
83.08615	6.8
91.05498	8.2
93.07041	23.8
95.08606	41.4
97.10166	4.6
105.07027	34.3
107.08598	29.4
109.10167	25.9
111.11721	1.6
115.05482	1.3
117.06998	3.1
119.08580	36.5
121.10159	24.2
121.82004	1.4
123.11700	13.9
129.07013	1.6
131.04929	1.7
131.08571	35.4
133.10130	26.1
135.11691	22.9
137.13239	5.5
139.57288	1.3
142.07790	1.4
143.08556	5.6
144.09344	2.3
145.10118	24.0
147.11699	25.1
149.13245	18.9
156.09314	1.6
157.10117	6.9
158.10896	6.1
159.10469	2.3
159.11699	31.0
159.13033	1.5
161.13261	28.3
163.07523	4.6
163.14844	8.9
165.66032	1.4
169.10059	2.1
171.11687	11.9
172.12434	1.7
173.13266	97.2
175.14819	10.9
177.16379	3.0
183.11681	1.8
185.13261	15.0
187.14816	100.0
188.15297	1.3
189.16371	11.2
191.17949	84.2
193.12332	1.9
197.13284	2.0
199.14806	4.4
201.12811	2.3
201.16397	6.3
203.17944	42.0
205.19524	19.1
207.13773	3.0
211.14848	1.3
213.16353	1.9
215.17976	5.0
217.19563	10.1
219.13841	7.7
221.15443	4.1
225.16423	2.1
227.17953	2.7
231.13748	3.2
231.20941	1.3
233.15359	34.7
245.15329	12.0
247.16931	43.4
259.16971	3.6
261.18323	2.4
269.22592	3.3
273.18506	2.2
285.18393	1.5
314.09811	1.4
357.31680	1.4
377.31970	5.3
395.16513	2.9
405.31299	1.5
423.32602	4.3
437.34143	30.8
447.19724	6.1
465.21133	8.3
465.34161	2.6
483.22150	40.6
483.34567	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76743	1.3
55.05499	4.6
56.05449	1.5
57.07074	2.9
60.11145	1.5
66.97895	1.4
67.05495	6.1
69.07047	7.7
70.79808	4.5
79.05479	5.9
81.07059	18.0
83.08602	5.0
91.05479	6.6
93.07050	16.1
95.08613	29.3
97.10196	2.1
101.26492	1.4
105.07034	21.7
107.08588	19.6
107.88560	1.5
109.10162	18.8
117.06997	2.7
119.08588	20.2
121.10149	25.0
123.11703	7.0
131.08572	27.6
133.10133	17.6
135.11691	16.3
137.13275	2.6
139.26149	1.8
145.10143	24.4
147.11658	15.2
149.13278	12.7
157.10130	4.2
158.10910	5.0
159.11691	24.1
161.13274	17.0
163.07520	2.3
163.14885	9.3
163.54364	1.5
171.11676	5.6
173.13269	79.4
175.14844	7.3
177.16370	3.3
185.13208	10.4
187.14828	100.0
189.16373	7.3
191.16217	3.5
191.17952	71.1
197.13135	2.1
199.14854	3.7
201.16393	5.1
203.17963	30.2
205.19502	12.6
207.13907	1.8
213.16377	1.6
215.14145	2.0
215.17940	6.5
217.19492	9.0
219.13704	2.7
221.15367	2.6
233.15381	30.6
245.15329	5.0
247.14508	3.3
247.16946	52.0
259.16888	3.0
275.20041	4.4
287.40247	1.7
377.32114	3.8
423.32562	3.0
437.34161	16.5
443.80359	1.6
483.34830	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	483.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
53.77428	1.3
55.05510	6.6
57.07071	4.9
67.05511	8.8
69.03426	1.8
69.07076	8.1
69.98674	6.7
72.17030	1.4
79.05498	7.4
81.07062	22.0
83.08617	5.0
85.02905	1.6
90.61232	1.3
91.05477	9.3
93.07049	23.7
95.08617	35.6
97.10167	3.8
105.07034	29.6
105.07696	2.5
107.08604	24.7
109.10153	20.6
110.10527	1.4
111.11741	2.8
112.37173	1.2
114.67435	1.2
117.07004	3.0
119.08584	28.9
121.06499	4.2
121.10146	29.8
123.11720	11.9
131.08577	28.5
133.10153	18.0
135.07990	1.4
135.11710	19.9
137.13278	5.0
143.08591	4.5
145.10129	23.2
147.11691	18.5
149.09627	4.1
149.13263	17.0
157.10123	7.0
158.10905	4.3
158.76407	1.6
159.11700	25.8
161.13263	20.2
163.07536	4.3
163.14857	8.0
164.07191	1.6
169.10083	2.2
169.79262	1.6
171.11667	8.5
171.13014	1.4
173.13268	76.5
175.14835	8.9
177.16328	2.2
185.13234	12.0
187.14838	100.0
189.12746	1.9
189.16412	10.9
191.17957	84.5
197.13261	2.3
198.13875	1.4
199.14818	4.2
201.12814	2.9
201.16470	5.7
203.17976	31.7
205.19505	12.1
207.13820	4.1
209.16045	1.4
213.16429	1.8
215.14389	2.5
215.17957	4.4
217.19472	8.9
219.13782	5.8
221.15466	3.9
227.18037	2.5
229.19553	2.2
231.13782	1.8
233.15388	31.3
235.16681	1.5
245.15390	4.7
247.16953	46.2
253.19501	2.1
259.16931	3.5
269.22742	1.6
273.18515	3.5
287.20239	1.6
313.21768	1.7
321.27768	1.6
377.31973	5.2
423.32568	2.2
437.34293	23.1
483.35068	25.2
488.81564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05516	4.4
57.07085	3.1
67.05508	6.7
69.07079	8.5
70.79842	3.2
79.05504	4.1
81.07059	19.2
83.08623	5.3
83.50587	1.2
91.05485	5.3
93.07047	15.7
95.08614	33.0
97.10164	1.8
105.07038	21.4
107.08603	22.2
109.10174	20.5
117.07034	2.2
118.03754	1.2
119.08595	21.8
121.10155	24.0
123.11722	9.1
131.08578	25.4
133.10144	18.3
135.11702	18.7
137.13258	3.4
143.08592	4.9
144.09326	1.7
145.10144	18.1
147.11684	17.1
149.13284	14.8
157.10194	1.7
158.10995	6.2
159.11719	23.5
161.13271	19.5
163.07570	3.1
163.14830	11.1
171.11723	7.6
172.12398	1.4
173.13277	71.5
175.14830	8.4
177.16475	1.4
185.13272	11.5
187.14839	100.0
189.16391	9.6
191.17960	80.0
197.13248	1.4
199.14848	4.0
201.12646	2.3
201.16411	3.8
203.17987	30.0
205.19608	12.4
207.13885	2.5
213.16441	2.3
215.17924	5.6
217.19482	8.9
219.13811	3.6
221.15273	2.3
231.13896	2.2
233.15364	28.8
233.17542	2.3
245.15369	7.5
247.16949	49.2
259.16956	2.3
261.18466	2.0
273.18518	2.6
275.20096	3.3
301.06439	1.5
377.31909	4.3
423.32755	2.5
437.34274	21.7
465.33691	2.1
483.34760	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	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.3
55.05513	9.3
57.07076	3.3
67.05507	11.2
69.03407	1.2
69.06795	1.0
69.07073	12.3
70.06590	2.9
70.87006	1.9
70.87345	1.1
71.04987	1.2
71.08632	1.6
72.08161	2.0
73.51213	1.0
79.05495	9.0
81.07053	28.2
83.08630	7.2
85.02866	1.3
86.09689	3.2
91.04978	1.5
91.05473	9.5
93.07050	22.6
95.05017	1.3
95.08609	41.4
97.10147	3.6
105.07034	33.5
107.08596	32.6
109.06493	1.5
109.10155	26.9
110.07168	1.2
111.11718	1.2
115.05479	1.1
117.06992	4.4
119.08585	35.2
120.08099	2.2
121.10147	30.6
123.11716	14.6
127.20777	1.0
128.06244	1.5
129.07028	2.5
130.07838	1.2
131.04903	1.9
131.08571	32.7
133.10127	24.9
135.11700	25.3
137.13239	6.6
143.08531	6.4
144.09322	1.6
145.10120	24.8
147.11681	23.5
149.06009	1.8
149.13248	19.0
155.08604	1.3
157.10114	4.9
158.10924	6.1
159.11699	31.7
161.13257	24.0
163.07539	6.5
163.14821	10.7
169.10100	2.1
171.11676	11.9
173.13268	93.3
175.14832	10.8
177.05463	2.9
177.16389	2.9
183.11653	2.1
185.13298	16.6
186.26012	1.1
187.14825	100.0
189.12872	1.3
189.16399	10.1
191.17953	84.3
197.13245	3.2
199.14809	4.5
201.12689	1.7
201.16365	6.9
203.17955	44.4
205.12331	1.0
205.19521	20.6
207.13817	4.0
211.14841	1.8
213.16339	3.3
215.14291	1.2
215.17966	6.8
217.15863	1.4
217.19485	11.5
219.13753	7.1
221.15390	4.7
222.15634	1.1
223.14871	1.2
225.16447	1.9
226.17065	1.7
227.17920	2.5
229.19505	2.3
231.13757	3.8
231.21071	1.4
233.15372	38.6
239.17918	1.8
241.19453	2.5
243.13673	1.2
245.15404	10.8
247.16934	45.2
259.16956	4.3
262.87411	1.2
269.22607	3.5
273.18631	1.9
279.20892	1.9
285.18625	1.2
291.15744	1.9
291.89520	1.2
299.19879	1.2
327.23041	1.3
377.32019	6.5
387.24863	2.0
399.25296	1.8
423.32578	3.8
437.34192	33.5
483.17133	5.9
483.34717	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
57.07072	4.4
67.05509	7.3
69.07079	6.9
69.46709	4.3
69.47132	4.4
79.05502	7.0
79.63843	1.2
81.07068	18.4
83.08619	6.5
91.05488	5.3
93.07053	19.8
95.08620	32.9
97.10196	2.9
98.21479	2.1
105.07046	23.5
107.08606	21.6
109.10166	20.9
117.06998	2.8
119.08595	26.1
121.10156	27.0
123.11707	11.7
129.07037	2.2
131.08595	25.2
133.10152	19.5
135.11705	20.4
136.07809	1.3
137.13266	4.0
143.08574	3.6
145.10139	22.1
147.11702	23.3
149.13271	15.4
151.21638	1.5
157.10149	5.1
158.10945	6.0
159.11713	29.4
161.13290	24.7
163.07599	3.8
163.14861	8.4
171.11665	8.3
173.13284	75.8
175.14804	9.1
177.16464	1.9
185.13272	13.3
187.14838	100.0
189.16403	11.8
191.17973	85.4
193.12242	1.9
197.13408	1.9
198.34283	1.4
199.14801	3.3
201.16409	6.4
203.17981	39.0
203.19791	2.8
205.19565	15.0
207.13867	3.5
211.14923	1.7
213.16324	3.1
215.17960	5.1
217.19592	10.2
219.13879	6.1
221.15346	5.0
227.18135	1.7
231.13820	2.6
233.15384	33.8
243.21114	1.8
245.15405	7.9
247.16957	47.8
259.16934	3.1
269.22668	1.9
273.18552	1.9
275.20001	1.8
377.32153	6.0
423.32574	2.2
437.34268	25.4
483.34708	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59614	0.6
53.03940	0.8
54.93013	0.6
55.05515	18.6
57.03442	7.6
57.07083	10.2
57.53583	0.6
67.05500	4.8
69.07072	24.4
71.08629	6.2
71.13876	1.3
71.69887	0.7
72.14081	0.6
79.05498	3.6
81.07069	5.5
83.08624	19.4
85.10202	3.2
87.53571	0.7
88.64098	0.7
91.05466	1.2
93.07038	3.6
95.08617	6.4
97.06551	1.8
97.10175	12.5
98.98473	8.5
105.07028	1.0
107.08598	3.3
109.10159	2.9
111.08099	1.2
111.11719	4.3
111.20862	0.8
119.08562	1.5
121.10159	4.3
123.11713	1.9
125.13226	0.9
131.50407	0.7
133.10121	1.5
135.11676	2.8
139.28487	0.7
144.83675	0.7
145.10144	0.7
145.82265	0.6
146.04665	0.6
147.11697	1.5
149.13271	1.9
154.94176	1.2
155.01035	4.3
159.11699	1.3
161.13271	1.2
163.14767	1.0
171.11673	0.7
172.95302	0.9
173.02089	0.8
173.13281	4.6
187.14833	4.8
191.17996	3.2
203.17998	2.2
205.19632	0.9
219.21120	0.9
233.15218	1.0
246.99107	0.9
247.17041	1.7
269.89590	0.7
311.25824	100.0
312.26288	1.3
394.65546	0.7
421.80280	0.8
437.34241	0.9
447.25037	2.8
483.34933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47607	1.3
55.05494	5.5
55.63241	1.3
56.09273	1.5
57.03428	4.4
57.07080	50.0
62.05793	1.8
62.06088	24.3
67.05491	3.3
69.07076	7.2
69.17332	9.7
69.17752	5.6
71.08636	41.6
72.08124	4.6
73.06546	2.6
81.07048	5.4
83.08604	5.4
85.10189	21.1
87.04450	1.9
89.06036	50.0
95.08601	8.9
97.10166	4.8
98.98449	5.6
99.11715	4.3
109.10151	4.9
111.11725	2.0
113.13275	3.4
124.01617	1.4
133.07675	2.4
133.08618	30.1
155.01019	5.8
177.11206	12.1
195.12338	1.9
198.05194	1.6
216.06303	2.0
239.14876	2.9
271.26233	2.6
283.17511	20.5
291.80551	1.7
310.31155	13.5
315.28827	3.0
341.30511	100.0
377.32178	1.7
421.26956	7.3
464.31381	4.3
465.37894	23.4
470.90811	1.6
482.36896	6.5
489.33673	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17569	0.8
55.01863	1.3
55.05507	1.1
57.07067	3.7
67.05518	6.2
67.15186	0.7
69.07060	3.5
69.47346	4.6
70.02951	3.9
71.08637	2.2
72.04501	2.0
73.02932	4.8
81.07053	2.6
85.06540	2.6
86.09713	2.0
87.04485	1.2
87.08107	0.9
89.05499	1.2
89.06038	19.3
90.05557	7.8
95.04974	5.5
95.08602	1.8
96.08134	1.1
98.02425	14.1
100.03970	3.6
103.07593	1.4
113.05992	3.2
116.03453	7.7
124.07600	13.2
133.08611	10.8
133.10175	1.3
142.08646	14.8
142.09712	0.5
143.82103	0.8
166.08632	1.2
177.11220	3.7
184.09666	9.6
202.10751	100.0
220.11790	9.1
283.17529	17.5
310.30963	5.1
358.14508	0.9
465.37756	0.9
482.36621	3.4
482.44254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.3
55.92876	3.0
57.07058	7.8
65.38354	2.9
67.05505	25.3
69.07066	19.8
79.05489	14.1
81.07060	57.6
83.08623	11.0
91.05460	15.9
93.07055	24.2
95.08613	84.9
97.10149	4.6
105.07034	45.3
107.08579	31.0
109.10167	36.4
117.07041	4.7
119.08589	39.3
121.10155	25.2
123.11709	18.8
131.08568	27.6
133.10126	37.8
135.11728	16.7
137.13260	11.4
142.07732	3.1
143.08545	18.2
145.10147	39.4
147.11702	36.8
149.13260	16.8
151.14845	10.5
155.08449	6.4
157.10104	24.1
159.11688	45.6
161.13293	24.9
163.14824	10.9
169.10098	10.3
171.11736	30.6
173.13289	46.9
175.14822	7.6
181.10194	5.7
183.11655	19.5
185.13261	49.6
187.14760	19.6
189.16396	20.5
191.17966	13.6
195.11722	8.9
197.13255	13.8
199.14809	13.1
201.16409	23.5
203.17940	27.7
207.11922	4.7
207.13809	6.1
209.13228	9.3
211.14760	9.4
213.12811	4.1
213.16444	10.8
215.17949	17.7
217.19733	4.3
219.13867	8.1
223.14932	17.9
225.16382	33.1
227.18059	6.8
229.19550	7.6
231.13794	5.5
233.15361	10.9
237.16414	6.5
239.17816	8.3
243.13931	5.4
243.21104	10.8
245.15353	14.8
247.17087	4.3
251.17834	4.4
255.21135	6.0
257.15500	5.9
259.16833	5.2
267.21207	7.1
271.17081	4.4
273.18491	4.7
283.16998	5.8
285.18527	15.4
291.21191	3.9
297.18387	4.8
299.20355	4.3
305.22803	4.1
311.20160	5.2
375.30527	27.3
421.31042	21.7
435.32617	93.4
481.33286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75799	0.3
56.93476	0.3
69.07072	0.4
81.07051	0.6
83.08619	0.3
88.52095	0.3
95.08620	0.7
98.20638	0.4
98.21339	1.7
107.08607	0.4
109.10125	0.4
119.08621	0.4
123.04217	0.7
124.93781	2.4
127.56344	0.2
142.94821	0.6
181.76857	0.3
254.02362	0.3
310.31006	0.4
327.29175	0.3
355.22409	0.7
381.31332	2.8
409.30777	2.6
463.22153	3.7
481.22583	2.8
481.30237	5.4
481.36618	100.0
482.36789	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05035	1.0
57.03450	0.3
57.07087	3.3
58.06611	1.5
59.07372	0.3
60.08169	16.1
67.05505	0.9
69.07080	0.7
70.06579	0.3
71.07042	0.5
71.07388	6.1
71.08640	2.3
71.53378	0.4
75.00031	0.3
81.07057	0.9
83.08603	0.7
85.10184	1.0
86.09714	52.1
87.10064	0.7
91.05450	0.3
95.08613	1.2
98.98472	3.2
104.10754	100.0
105.37096	0.3
107.08626	0.3
109.10165	0.5
125.00014	26.9
131.04961	2.4
132.05266	1.2
158.49275	0.3
163.01566	0.9
184.07356	90.3
216.13853	0.5
217.14217	0.6
244.13409	0.5
245.13658	0.6
258.11099	0.8
263.88779	0.3
288.85638	0.3
299.25787	2.3
419.24777	0.3
464.31433	9.1
482.32489	39.0
483.32639	0.7
487.23776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05514	9.2
57.03442	1.1
57.07074	3.8
67.05512	17.4
69.03436	1.7
69.07068	17.1
70.06601	5.4
71.05000	3.2
72.08166	2.8
79.05484	11.1
81.03412	2.9
81.07058	52.3
83.08646	7.0
84.04488	1.4
84.08121	1.8
85.02885	2.1
86.09721	3.4
89.03899	1.8
91.05469	10.4
93.07050	20.4
93.07624	1.3
95.04941	1.7
95.08611	75.9
97.02876	1.4
97.10185	3.2
103.05419	1.8
105.07034	28.6
107.04946	1.2
107.08601	24.5
107.82207	1.0
109.06565	1.7
109.10155	29.5
110.07159	1.7
110.10437	1.1
111.11722	2.2
116.07076	1.2
117.03383	3.1
117.06991	3.2
119.08573	23.0
120.08087	3.4
120.08886	1.4
121.06559	2.1
121.10144	16.5
123.11706	17.6
127.03923	1.5
128.06216	1.5
129.07027	2.8
131.04982	1.3
131.08574	18.6
133.10129	24.3
135.11682	11.6
136.35590	1.4
137.05995	7.9
137.13248	12.3
141.07011	3.1
142.07803	1.6
143.08562	12.6
145.02849	11.0
145.10110	23.4
147.11700	32.9
149.06026	1.6
149.13266	16.7
151.03824	1.4
151.14835	8.1
155.08534	7.3
156.09358	2.1
157.10135	16.8
158.10889	2.8
159.11696	31.2
161.13272	19.5
163.07520	2.1
163.14818	4.2
167.07089	1.6
167.08461	1.5
168.09357	1.6
169.10185	8.0
170.10912	1.2
171.11694	23.6
173.13264	32.0
175.14819	5.4
177.05490	19.7
177.06918	2.1
177.16432	3.8
181.10161	5.0
182.10822	1.3
183.11708	15.7
185.13264	35.2
187.14827	15.3
189.16394	11.0
191.17972	14.7
193.10222	1.9
193.12222	2.2
195.11658	5.9
196.12520	2.5
197.13263	16.5
199.14825	8.0
201.16370	10.9
203.17953	25.0
205.12270	1.5
207.11760	2.9
207.13821	5.3
208.12581	1.3
209.13283	9.1
211.14783	9.1
213.12680	1.7
213.16432	4.5
215.17976	8.6
217.12352	1.2
217.19559	3.6
219.13861	5.2
221.13383	3.0
223.14815	12.8
225.16380	35.1
225.18518	1.9
227.17926	5.4
229.12279	2.5
229.19556	3.4
231.13765	7.4
233.15329	9.5
237.16382	10.8
239.17972	6.4
241.19576	2.9
243.13754	7.4
243.21147	2.4
245.15381	16.3
247.16989	3.7
249.16420	1.1
251.17955	6.3
253.15837	2.0
253.19516	5.6
255.21150	3.6
257.15384	7.2
259.16931	3.3
263.17993	2.9
265.19559	2.8
267.21140	3.8
269.15381	1.8
271.16949	7.3
273.94885	1.4
277.19620	2.0
279.21155	2.7
283.16907	7.9
285.18570	16.8
287.20154	1.9
289.05307	1.6
291.16068	1.6
291.21042	2.6
293.22690	2.3
297.18533	5.3
299.20078	4.3
305.22772	3.3
311.20096	4.2
319.08075	1.6
319.24234	4.2
323.20306	1.8
325.21628	1.9
329.17493	1.8
331.18988	2.5
333.25763	2.0
339.23026	1.2
351.23157	2.5
365.24756	3.0
375.30472	27.6
377.31979	3.5
379.26483	1.7
403.29956	1.3
407.12048	1.2
411.25858	1.3
413.94531	1.4
421.30978	19.1
435.32605	100.0
437.34116	3.3
481.33157	65.5
482.33713	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.05513	16.3
57.07067	5.7
65.61478	1.8
67.05507	22.1
69.07073	16.0
71.12560	3.5
77.69362	1.7
79.05510	11.8
81.07060	45.5
83.08625	14.0
91.05495	16.4
93.07059	24.5
95.08617	69.2
97.10157	3.5
105.07043	44.0
107.07886	2.6
107.08609	43.6
109.10164	43.6
117.07063	8.0
119.08596	49.4
121.10155	35.6
123.11717	22.5
129.07024	4.8
130.07867	1.9
131.04886	1.9
131.08559	29.8
133.10143	55.3
133.11107	3.6
135.11697	22.0
137.13275	8.2
138.49307	1.7
142.07800	4.1
143.08565	18.7
144.09389	4.5
145.10144	34.1
147.11699	57.9
149.13272	13.5
151.14821	4.4
155.08540	10.7
156.09367	7.2
157.10139	27.3
158.10901	4.4
159.11713	58.4
160.12357	3.0
161.13281	36.7
163.07574	3.8
163.14845	8.1
167.08640	4.1
168.09511	3.0
169.10152	12.9
171.11696	36.3
173.13275	70.8
175.11269	1.8
175.14865	7.9
177.16434	7.1
179.08504	3.0
181.10164	5.2
182.10916	3.5
183.11711	18.8
185.13272	58.9
187.14842	29.5
189.16408	20.1
191.17970	13.9
193.12273	3.1
194.10936	2.5
195.11804	8.2
196.12431	2.6
197.13271	17.3
199.14877	17.0
201.12660	2.3
201.16388	24.3
203.17967	41.3
205.12323	5.2
207.11662	4.3
207.13808	7.1
208.12512	2.3
209.03755	1.9
209.13277	10.7
211.11247	1.9
211.14818	19.3
213.16309	9.9
215.17972	22.4
217.19569	5.6
219.13867	9.6
221.13263	3.3
222.14075	2.4
223.14830	14.5
225.16397	17.3
227.18022	6.0
229.12422	3.3
229.19550	4.8
231.13879	9.3
233.15376	18.0
235.14844	3.7
237.16414	8.1
239.17972	7.7
241.19591	3.4
243.13887	9.0
243.21068	4.5
245.15395	26.3
247.17044	5.6
249.16420	4.2
251.17969	4.8
253.19559	4.2
255.21225	3.0
257.15350	9.7
259.16989	5.7
263.17996	2.5
265.19681	5.5
269.15448	3.0
271.17020	9.7
273.18527	4.7
277.19598	7.4
279.21130	4.6
281.22736	2.0
283.16998	12.0
285.18472	5.9
291.21225	5.9
293.22595	4.0
297.18674	5.4
299.20184	5.0
305.22687	4.5
309.18332	2.3
311.20251	3.6
319.24377	5.0
325.21729	4.2
337.21893	2.7
339.23236	3.6
351.22885	3.1
352.24066	2.9
353.24960	4.2
375.30466	38.2
377.32068	2.5
379.26498	6.8
385.23911	3.1
403.29993	2.5
421.31055	19.5
425.27060	3.0
435.32651	100.0
437.34476	2.9
463.32275	3.5
481.33231	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2928
Annotation	CHEBI:69690
Peak:m/z	Relative Intensity
58.31392	0.7
62.92923	0.7
66.69649	0.8
67.05505	1.5
69.07035	1.1
69.35675	2.6
69.36099	3.5
81.07050	1.3
95.08592	1.7
98.20946	2.6
98.21579	1.6
107.08596	1.1
119.08553	0.9
124.93762	2.0
133.15189	0.9
283.81195	0.9
355.22476	12.0
463.21814	3.0
481.29178	100.0
481.35999	6.6
482.29871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.2
57.07079	3.6
67.05507	16.7
67.56260	1.2
68.55560	1.3
69.07077	14.9
70.06587	2.9
71.02603	2.1
71.02950	2.1
79.05505	7.7
81.07064	43.1
83.08630	6.2
84.08129	1.9
86.09702	1.8
91.05505	8.2
93.07044	16.1
95.04945	1.9
95.08620	68.2
97.10175	3.2
103.05494	1.6
105.07043	28.4
107.08599	24.5
109.10168	23.7
117.03480	1.4
117.07030	4.1
119.08582	22.4
121.10158	19.2
123.11707	18.9
125.13178	1.8
129.07010	3.0
131.08580	14.5
133.10143	24.5
135.11731	14.6
137.05991	3.8
137.13258	9.8
142.07823	2.6
143.08572	12.9
145.02869	4.5
145.10143	21.9
145.11201	2.4
147.11696	32.0
149.13254	15.5
151.14821	6.3
155.08600	6.3
156.09381	3.8
157.10159	17.1
158.10938	2.6
159.11710	31.9
160.12473	1.7
161.13297	17.5
163.07608	1.6
163.14896	1.9
169.10127	8.2
171.11711	20.0
173.13268	29.9
175.14851	3.4
177.05489	11.3
177.16476	3.8
179.08623	2.0
181.10139	2.9
182.10927	2.2
183.11707	18.1
184.12376	1.5
185.13278	33.7
186.14029	1.4
187.14836	13.9
189.16389	13.1
191.18008	11.0
193.12271	1.6
195.11722	5.8
196.12473	3.1
197.13295	10.8
199.14839	9.8
201.16374	9.1
203.17976	29.2
207.11861	2.8
207.13872	7.2
208.12503	2.1
209.13283	8.6
210.13980	1.5
211.14780	9.4
213.16437	4.8
215.17950	7.5
217.19586	4.2
219.13870	4.9
221.13255	2.6
223.14867	13.3
225.16418	36.6
225.18559	2.7
227.17981	5.1
229.12344	1.4
229.19644	3.9
231.13824	5.4
233.15428	8.6
235.14911	2.6
237.16432	8.5
239.18037	6.1
241.19589	3.7
243.13828	7.1
243.21129	3.2
245.15404	17.5
247.16992	4.0
249.16333	2.4
251.18053	5.5
253.16013	3.1
253.19455	6.5
255.21126	3.5
257.15506	6.8
259.17044	3.4
263.17947	2.4
265.19537	2.5
267.21097	3.0
269.15320	3.2
271.17026	4.4
281.22391	1.6
283.16821	7.7
285.18521	17.6
287.20123	1.8
291.21085	1.6
297.18619	4.9
299.20078	3.8
305.22629	1.6
311.20126	3.5
319.24237	3.9
331.18982	1.5
333.25485	1.6
345.20825	1.7
351.23123	2.3
365.24820	1.7
375.30469	27.4
377.32278	1.3
379.26703	1.8
386.00677	1.5
392.27682	1.6
403.30136	1.8
417.06107	2.1
421.30988	17.7
435.32654	100.0
437.34103	4.7
463.31958	3.6
481.33182	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
53.60742	0.4
55.05516	12.4
57.03445	6.4
57.07082	5.6
57.80642	0.4
62.06098	0.5
67.05508	8.9
69.07074	17.8
69.30314	2.5
69.30722	1.1
71.04992	0.7
71.08646	2.8
79.05499	4.2
81.06599	0.6
81.07061	10.3
83.04970	0.8
83.08623	13.0
85.06529	0.9
85.10170	1.7
86.09707	0.5
91.05473	0.9
93.07053	6.1
95.08610	9.8
97.06528	1.8
97.10174	8.0
99.08084	0.6
107.08602	4.2
109.09538	0.5
109.10168	3.9
111.08064	1.2
111.11710	2.0
121.10159	6.3
123.11733	1.1
124.01604	0.4
125.09660	0.4
135.11710	4.5
139.11157	0.8
145.88748	0.4
149.13249	1.1
151.14787	0.5
153.12685	0.9
163.14844	0.7
198.05380	0.4
216.06325	0.6
265.25220	1.3
308.29471	3.1
339.28949	100.0
340.29184	1.1
388.69681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3086
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05518	10.7
57.03425	3.7
57.07087	6.1
61.20493	0.8
62.06090	27.0
67.05500	7.6
69.06733	1.4
69.07073	16.7
69.25711	8.0
71.08634	1.8
79.05491	4.2
81.07057	9.0
83.08614	8.8
85.06533	1.0
85.10153	1.8
91.05478	1.2
93.07030	3.1
95.08588	9.7
97.06577	1.2
97.10156	6.7
98.06050	1.9
98.21466	1.8
98.98461	6.5
100.02136	1.1
101.05859	0.8
107.08578	3.3
109.10130	4.6
111.08054	1.3
111.11681	1.5
121.10117	5.8
123.11655	1.7
124.01596	1.7
135.11684	3.5
139.36446	0.9
142.94841	1.2
149.13280	1.2
155.01041	6.3
173.89780	0.8
180.63947	0.8
189.66388	0.9
197.04616	1.0
197.88826	1.0
198.05205	2.0
216.06302	2.9
231.44612	0.9
247.24197	1.4
265.25217	4.3
308.29468	35.5
314.90765	0.9
339.08099	1.0
339.28934	100.0
340.29224	1.0
419.25531	3.9
462.29694	3.4
480.30832	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	480.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.4
56.05025	1.3
56.43472	0.4
57.03442	0.5
58.06601	1.2
60.08168	16.7
67.05498	2.0
69.07059	1.0
70.00313	1.1
70.06588	0.6
71.07385	6.5
73.32165	0.4
79.05482	1.4
81.07040	2.1
83.08604	0.8
85.69868	0.4
86.09712	49.0
91.05480	0.5
93.07047	1.2
95.08602	1.0
97.06547	1.0
97.10162	0.8
98.98463	2.7
104.10752	100.0
107.08593	1.2
109.10144	1.0
121.10158	1.9
125.00013	31.0
129.05508	0.9
130.89113	0.4
135.11710	0.7
163.01535	0.7
163.03903	0.4
184.07353	91.0
213.59622	0.4
258.11044	0.7
297.24173	1.3
462.29877	10.3
480.30896	38.8
481.23279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
53.27414	0.3
58.06339	0.4
70.06590	4.0
70.75198	1.1
72.08155	4.2
72.27306	0.4
74.06099	0.4
79.05518	0.8
84.04500	1.0
84.08141	1.2
85.02907	0.8
86.06070	1.5
86.09709	3.9
91.05466	1.2
97.02926	0.5
102.05549	0.7
105.07027	1.1
107.04984	0.7
110.07174	0.8
111.04387	0.4
116.07050	0.4
117.20621	0.4
119.04958	1.5
120.08141	2.7
121.06556	0.6
123.04384	0.4
127.00008	0.6
129.10258	0.7
136.07541	2.8
137.06000	1.7
145.05028	0.4
149.05992	1.5
149.83559	0.4
151.03925	1.3
151.07558	3.7
159.07684	0.5
161.06021	1.5
162.52866	0.4
167.03244	0.5
167.07086	0.9
177.05502	2.2
193.08563	0.6
194.08101	4.6
215.06810	1.8
217.04773	1.8
218.07690	0.4
227.05316	1.8
231.81139	0.4
232.07082	12.8
233.07866	6.9
233.10085	0.6
263.10242	0.4
271.04352	2.6
293.08145	0.9
301.10651	0.5
311.09653	0.4
319.07205	0.9
325.88583	0.4
328.11896	1.0
360.14505	1.7
395.13156	3.6
431.52066	0.5
437.14221	25.1
438.14624	0.6
463.18719	0.8
481.13193	100.0
482.13446	1.8
489.55396	0.4
501.78818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.2
57.03439	17.4
59.04996	2.3
60.04518	2.4
60.72961	0.8
61.02932	1.2
65.33892	0.9
69.03433	58.0
69.19304	0.8
69.63316	0.9
70.06598	7.8
70.32126	2.1
70.32514	1.6
71.04987	3.4
72.08157	2.5
73.02902	1.0
75.04481	1.2
81.03426	3.2
83.28576	0.8
84.04503	2.0
84.08148	2.6
85.02911	47.8
86.09707	3.4
87.04475	39.7
91.05489	14.4
95.04980	2.7
97.02899	55.7
99.04475	1.5
103.03971	1.0
105.07028	3.5
105.14674	0.8
109.02880	2.1
109.06522	2.0
110.07129	1.8
111.04434	1.0
115.03938	71.2
116.07143	0.9
117.06945	0.9
119.04967	14.0
120.08124	2.9
123.04503	0.9
127.03933	5.3
128.59859	0.9
131.04903	1.5
131.08536	0.9
133.04976	68.6
133.06555	2.7
136.05203	2.0
136.07594	1.7
137.05966	3.6
139.03865	0.9
145.04965	7.6
145.06578	0.9
147.04384	1.5
149.05991	1.2
150.06621	1.1
150.07640	15.9
151.07552	100.0
157.06465	2.1
161.05977	1.7
163.03934	1.7
163.06062	1.7
163.07585	1.3
165.09129	17.0
169.05025	1.5
169.08604	18.6
169.09940	1.6
175.07570	3.3
177.05481	1.4
179.07027	11.8
181.08635	3.0
187.07608	1.3
189.09117	3.3
193.08618	27.5
201.09065	1.3
205.08667	4.2
211.09651	7.6
217.08633	4.9
219.10204	3.7
231.10010	0.8
232.09583	1.3
235.09660	10.0
241.07048	2.1
247.09663	14.9
259.08130	2.8
265.10727	17.0
277.11075	4.7
287.05435	2.6
288.05875	1.8
295.10703	2.9
295.11349	2.9
317.56091	1.5
318.06815	1.3
326.56808	3.1
327.06750	1.8
331.13943	1.4
343.01331	1.3
361.02283	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	479.1187
Annotation	6-Methoxykaempferol 3-galactoside
Peak:m/z	Relative Intensity
52.04144	0.4
55.01882	0.5
56.05014	0.5
61.02921	0.8
68.01735	0.4
68.99777	0.7
69.03423	1.6
70.06590	5.1
71.01350	0.5
72.08157	3.0
79.05509	0.5
81.03422	0.8
81.07062	0.5
84.08144	1.7
85.02921	3.8
86.09716	4.9
91.05476	0.7
96.71252	0.5
97.02883	1.6
98.21520	1.7
99.00820	1.9
102.05569	0.6
107.04993	0.7
110.07161	0.6
112.01591	2.0
116.07060	0.6
119.04946	0.5
119.08556	0.5
120.08109	3.1
127.00297	2.5
129.10233	1.1
134.03648	1.1
135.04379	0.5
136.07570	1.0
137.06030	0.7
140.01056	1.6
145.02818	0.5
148.24438	0.6
149.09598	0.6
154.99771	0.8
161.02328	0.7
168.00548	32.9
169.01286	2.2
181.05003	0.6
183.02901	6.3
186.01602	14.5
227.75798	0.5
229.04964	0.7
229.41605	0.6
233.16603	0.6
239.03688	0.6
257.04752	0.7
261.07642	0.6
261.16003	1.0
271.05899	0.7
274.04709	0.8
284.03159	2.2
285.03979	0.6
289.07159	0.6
302.04239	6.6
317.06570	100.0
318.07034	1.0
439.23270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3733
Annotation	Clathriol
Peak:m/z	Relative Intensity
50.90934	1.9
51.49027	2.0
53.03948	2.7
55.05503	10.0
57.07081	13.0
58.65950	2.6
67.05491	8.3
69.07073	14.0
71.00786	4.6
71.08624	11.6
76.01580	2.0
76.52355	2.2
79.05472	4.9
81.07072	18.7
83.04998	3.6
83.08622	9.0
85.10178	9.8
91.05482	7.3
93.07075	11.5
95.08610	19.3
97.10168	8.3
105.07050	12.3
107.04964	8.0
107.08582	14.0
109.02813	3.3
109.06532	2.9
109.10149	13.1
111.11702	5.6
119.08573	7.8
121.06543	2.7
121.10146	9.4
123.11674	4.6
129.06978	2.7
131.08589	6.8
133.06502	3.0
133.10144	10.2
135.11682	4.9
143.08553	4.6
145.06461	2.9
145.10155	9.0
147.08055	4.7
147.11688	7.4
149.13255	4.6
157.10155	5.1
159.11684	6.3
161.09621	3.7
161.13293	8.4
163.14917	2.3
169.08675	2.2
169.10126	3.6
171.08073	4.6
171.11685	3.2
173.09581	2.0
173.13255	2.6
175.14851	2.5
182.91206	2.2
183.11729	2.4
185.13237	4.1
187.14825	3.7
189.09137	8.3
203.10652	2.5
204.80658	2.0
211.14961	2.8
217.12111	2.9
285.18460	2.4
301.28906	4.6
343.29883	3.3
383.33224	3.0
397.34714	4.1
401.34006	11.5
403.32373	2.7
407.33258	5.1
415.35587	3.3
425.34171	39.5
443.35248	100.0
461.36179	16.5
467.31271	2.3
479.34991	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.01002	0.1
56.05009	0.3
60.04514	0.2
65.03953	0.3
69.03416	0.3
70.06591	3.6
71.51979	0.2
71.52346	0.2
72.08159	1.0
74.06068	0.3
81.03413	0.2
83.04933	0.2
84.04490	0.6
84.08150	1.2
85.02893	0.6
86.09709	1.0
92.02648	0.8
93.03411	1.0
97.02890	0.2
102.05530	0.2
109.02883	0.2
109.06543	0.2
110.07177	0.9
116.07096	0.3
117.03370	0.2
120.08074	0.6
121.02873	1.0
121.21941	0.1
123.04372	0.2
126.03148	0.4
127.03912	0.3
129.10226	0.7
129.17278	0.1
135.04471	0.2
136.07549	0.3
137.05945	0.6
139.03889	1.0
141.16826	0.2
147.04366	0.3
151.03880	0.7
153.01826	7.4
159.09134	0.2
161.06084	0.2
163.03908	0.5
165.01801	0.6
166.02592	0.2
167.10680	0.4
177.05521	0.5
183.03011	0.2
185.11771	0.3
200.04715	0.3
201.05476	0.7
203.03383	0.5
217.04997	0.7
218.05757	0.7
219.02982	0.3
223.13280	0.2
228.04146	1.3
229.04944	3.2
231.02856	0.4
232.71597	0.2
245.04359	1.1
246.05223	1.6
256.03659	0.3
257.04440	2.8
260.03223	0.4
261.07599	0.4
271.05966	0.3
273.03900	1.7
274.04700	4.0
284.03229	0.5
284.94193	0.2
285.03955	3.8
288.06241	0.2
302.04205	12.4
317.06549	100.0
318.06888	1.0
479.11569	2.0
479.16986	0.2
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
55.01864	0.2
55.05518	0.1
56.05039	0.2
57.03422	0.5
58.53747	0.1
61.02928	6.3
62.18269	0.1
65.03921	0.3
68.99788	0.2
69.03434	1.3
69.21987	1.1
70.06597	1.3
71.04995	0.1
72.08147	0.6
73.02918	2.0
74.06079	0.1
81.03425	0.7
84.04495	0.2
84.08154	0.8
85.02908	6.1
86.09713	1.2
91.03417	0.2
91.03955	3.3
91.05467	0.3
92.02625	0.9
93.03416	1.1
93.07022	0.2
94.04161	0.1
95.04956	0.2
95.08671	0.1
97.02294	0.2
97.02892	3.6
98.21491	0.2
99.04436	0.4
101.02423	0.1
105.06976	0.1
107.04959	0.7
107.08617	0.2
109.02874	0.4
110.07164	0.3
111.00806	0.3
112.40720	0.1
115.03930	0.2
120.08105	0.7
121.02863	1.0
122.03662	0.1
123.04423	0.2
126.03111	0.4
127.03925	1.1
129.10242	0.5
131.08524	0.1
133.02870	0.1
133.06450	0.2
135.04411	0.2
136.07581	0.3
137.02327	0.2
137.05951	0.3
139.03937	1.0
145.02884	0.1
145.04967	0.7
147.35223	0.1
149.05991	0.1
151.03900	0.9
153.01828	7.0
161.06032	0.2
163.03917	0.3
165.01823	0.6
166.02603	0.2
173.05988	0.2
173.09354	0.1
177.05452	0.5
183.02959	0.1
200.04677	0.4
201.05504	0.7
203.03365	0.3
217.04945	0.9
218.05759	0.5
228.04211	1.2
229.04965	3.0
231.02913	0.4
245.04474	1.2
246.05261	1.5
256.03665	0.2
257.04468	2.5
260.03140	0.4
261.07571	0.2
271.05960	0.3
273.03897	1.4
274.04739	4.0
284.03226	0.4
285.03940	4.4
286.04672	0.1
288.06409	0.2
302.04218	11.7
303.04443	0.2
317.06552	100.0
318.06900	1.2
329.06516	0.5
335.13214	0.1
359.07809	0.6
383.07660	0.4
421.11954	0.1
443.09656	0.2
461.10309	0.2
470.74500	0.1
479.11551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03923	0.2
57.03436	0.8
60.75154	0.1
61.02930	7.4
65.03934	0.2
65.10637	0.1
69.03432	1.2
69.19070	0.9
69.19477	0.4
70.06587	1.0
72.08145	0.5
73.02924	1.8
81.03398	0.4
84.04496	0.2
84.08114	0.4
85.02912	6.2
86.09691	0.7
91.03425	0.2
91.03959	3.7
92.02620	1.1
93.03423	1.1
97.02307	0.2
97.02896	3.0
99.04451	0.4
101.02366	0.2
109.02872	0.3
110.07152	0.2
111.04510	0.2
111.28613	0.1
115.03909	0.3
117.51900	0.1
120.08092	0.6
121.02856	1.1
121.06483	0.2
122.03677	0.2
126.03111	0.5
126.92181	0.2
127.03939	1.0
129.10237	0.3
136.07556	0.2
137.02336	0.3
137.05974	0.4
139.03951	0.8
145.04974	0.7
149.02345	0.2
151.03912	0.8
153.01834	7.9
163.03860	0.2
164.07037	0.2
165.01823	0.6
177.05478	0.4
183.02896	0.2
190.06201	0.2
200.04657	0.3
200.30182	0.1
201.05467	0.6
203.03363	0.4
217.04990	0.8
218.05736	0.6
219.02885	0.3
228.04198	1.4
229.04973	3.7
231.02885	0.5
245.04436	1.3
246.05191	1.8
256.03699	0.2
257.04434	2.6
260.03156	0.4
261.07758	0.3
271.06088	0.2
273.03900	1.6
274.04727	4.4
284.03223	0.5
285.03958	4.3
287.02005	0.2
301.03519	0.2
302.04227	12.8
317.06564	100.0
318.06863	1.0
436.03470	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03929	1.1
55.05518	11.5
56.82146	0.8
57.03446	3.8
57.07061	1.6
62.06094	28.5
65.03914	1.1
67.05510	25.3
69.06737	1.1
69.07076	15.7
69.18032	6.0
69.18435	1.7
71.08611	1.0
79.05502	5.8
81.07060	26.6
83.08157	1.0
83.08601	5.6
85.06503	0.8
91.05512	4.0
93.07047	6.9
95.08614	19.4
97.06557	1.2
97.10174	2.5
98.06050	5.2
98.98471	5.8
105.07045	3.7
107.08607	4.3
109.10159	6.8
116.59869	0.8
119.08606	1.5
121.10146	2.8
123.11733	3.5
124.01624	1.5
133.10126	2.7
135.11726	2.3
137.13301	1.9
142.02664	1.1
147.11676	1.9
149.13217	1.0
155.01064	5.4
161.13316	1.6
163.14810	1.3
173.02130	1.8
175.14803	1.4
179.14351	1.0
198.05299	2.4
216.06343	3.8
238.14595	0.8
245.22630	1.2
246.64906	0.8
263.23706	6.4
306.27924	62.6
319.26227	1.1
337.27380	100.0
338.27850	1.1
417.23984	2.1
460.28323	7.2
470.79028	0.9
475.04175	0.8
478.29468	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03941	0.7
53.84826	0.3
55.01865	0.4
55.05515	12.0
56.59824	0.3
57.03444	7.1
57.07083	1.8
62.06095	0.6
65.03956	0.8
67.05511	21.6
67.35264	0.4
69.07073	13.9
69.15585	3.2
71.04998	0.7
71.08627	0.9
79.05499	6.0
81.07063	22.5
83.04961	0.7
83.08154	0.7
83.08624	7.7
83.09121	0.4
85.06535	0.4
91.05487	4.0
92.76332	0.3
93.07047	5.9
95.08611	15.6
97.06530	1.1
97.10179	3.1
98.06094	0.3
98.98448	0.6
99.08080	0.5
100.59763	0.3
101.55743	0.3
105.06426	0.4
105.07034	2.5
107.08595	3.9
109.10161	5.8
111.08081	0.9
111.11656	0.3
111.51209	0.3
119.08588	2.6
120.19466	0.3
121.10146	3.1
123.08076	0.5
123.11707	2.3
124.01601	0.4
124.59647	0.3
125.09643	0.5
131.08530	0.4
133.10135	2.4
135.11696	1.7
137.09586	0.5
137.13257	1.1
147.11722	1.6
149.13239	0.4
161.13295	1.1
163.14807	0.6
175.14841	1.0
176.06227	0.4
202.94035	0.3
216.06329	0.7
219.14787	0.4
245.22849	0.4
263.23718	0.8
272.06915	0.3
306.27945	4.6
337.27383	100.0
338.27618	1.5
460.26993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	8.7
55.01880	3.3
55.05521	10.3
57.03449	2.5
61.37394	2.3
65.03929	2.8
67.05508	8.3
68.07022	2.1
69.03439	14.9
69.07069	5.3
69.57104	14.0
70.06590	19.4
71.01373	5.1
71.05006	5.0
71.06915	2.1
72.08167	6.5
73.02921	4.8
75.04482	6.0
78.01170	2.3
79.05499	32.9
81.03430	5.1
81.07056	20.8
83.01373	3.7
84.04522	2.5
84.08157	7.6
85.02911	15.2
86.09708	11.7
87.04453	5.2
88.04011	2.2
91.05492	22.4
93.03420	2.1
93.07053	65.6
95.01360	2.3
95.04993	8.6
95.08620	14.2
95.66885	2.1
97.02899	21.0
97.06542	3.2
98.21494	4.2
98.97609	3.7
99.00812	2.3
101.02406	8.5
101.06061	3.9
103.05470	2.7
105.01936	2.5
105.03409	33.0
105.07034	23.8
106.02932	3.9
107.04964	4.1
107.08606	100.0
109.02917	2.8
109.06569	4.9
109.10180	5.7
111.04449	5.3
113.02407	4.5
115.03960	3.1
117.03452	2.5
117.07047	7.8
119.05008	4.0
119.08604	17.4
120.08113	5.2
121.06496	11.6
121.10159	27.5
123.04485	5.6
124.03970	19.4
125.02389	6.3
127.03971	4.7
129.05463	11.3
129.06970	2.9
130.07802	4.8
131.08606	7.2
133.10121	15.2
135.08084	7.0
135.11705	86.7
137.06003	4.2
143.03502	2.7
145.02858	4.9
145.10136	30.0
146.70479	2.2
147.06555	3.9
157.05003	2.7
157.10129	2.3
159.11684	11.5
161.09619	2.4
163.03932	4.5
163.11192	74.0
167.07086	4.4
173.09653	6.1
175.06039	68.9
175.07524	4.4
177.05557	6.4
177.12785	2.9
177.16417	7.2
179.07069	25.5
181.12283	6.4
187.03920	2.0
187.14813	16.9
193.07108	25.3
193.08601	2.9
195.13882	9.0
197.13248	3.0
213.14856	5.6
215.14287	10.6
231.06526	2.7
232.83275	2.3
246.08389	2.7
285.11203	2.9
297.03967	12.4
298.04245	23.0
300.02643	3.5
301.03110	3.6
302.04324	2.7
302.10141	9.9
315.05145	2.8
316.05389	7.4
317.06638	9.5
355.10327	5.4
355.17480	24.1
373.18524	2.2
416.24405	4.1
425.21841	3.7
435.12692	2.5
460.27228	3.6
478.10315	3.8
478.17203	3.8
478.27527	3.8
479.11673	6.8
479.18732	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.41
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02428	6.9
53.03912	7.4
55.05499	6.6
57.07082	100.0
62.26799	6.6
67.05505	20.5
67.25735	5.7
69.07069	15.2
69.31541	14.5
69.31944	39.3
71.04996	8.7
79.05491	18.8
81.07070	37.8
84.42891	6.4
85.06541	60.0
85.14322	6.4
90.44151	6.3
91.05485	20.0
93.07047	42.8
95.08617	49.6
105.07034	29.4
107.08595	42.1
109.10184	33.4
119.08559	27.3
121.10154	36.6
123.11732	11.6
131.08562	11.6
133.10130	23.1
133.39020	6.7
133.68855	6.4
135.11665	29.9
145.10144	13.5
147.11711	18.5
149.13254	14.0
153.31653	8.7
159.11696	17.3
161.13248	13.2
163.11368	7.0
173.13210	10.4
175.14827	14.4
177.16377	8.4
185.13252	6.5
187.14883	8.0
189.16476	10.0
201.16351	9.3
213.16374	7.2
215.18022	16.0
241.19643	7.9
364.17511	7.6
420.08951	7.7
432.78134	7.9
476.32498	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	476.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61182	0.9
55.05502	1.2
57.07073	3.4
67.05515	1.5
71.08632	4.0
75.41912	0.8
76.73472	0.9
81.07047	3.1
91.05476	13.8
92.48505	1.0
95.08617	2.9
109.06516	1.1
119.04955	8.1
119.68461	1.2
123.11724	1.1
137.05981	100.0
154.08640	35.3
183.77242	1.2
280.04147	1.2
282.87515	0.9
468.08182	1.0
476.41010	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	477.319
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
51.07367	0.7
67.05503	1.4
69.07056	1.7
71.17657	1.9
77.33240	0.8
79.05494	1.0
81.07049	2.6
91.05469	0.8
93.07051	1.2
95.08603	2.0
105.07011	1.0
107.08603	1.1
121.10176	1.0
137.06055	1.7
144.53903	0.9
424.95920	0.9
445.29227	11.9
477.31943	100.0
478.32440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
56.96581	0.8
57.03427	1.3
58.99580	1.8
60.04518	1.3
61.02929	1.7
65.03942	3.8
69.03440	3.3
69.64865	3.6
70.06591	3.1
71.05005	0.7
72.08150	2.0
73.02927	1.1
74.06121	0.7
76.02229	3.8
81.03394	2.4
84.04502	1.1
84.08132	2.3
85.02914	10.9
86.09711	2.6
86.99059	1.1
88.03995	0.8
89.03934	0.6
91.05499	4.2
93.03411	10.1
97.02889	3.4
97.06573	0.6
98.21445	1.3
98.97600	1.0
99.04469	0.9
100.02226	1.5
102.44618	0.6
105.00079	2.3
109.02865	0.9
110.03689	1.5
110.07160	1.2
111.04446	9.2
117.03374	1.9
118.08730	0.7
119.04972	5.3
119.22564	0.6
120.08138	1.6
122.02737	41.9
123.04454	0.6
125.06012	21.5
127.03936	2.1
129.10249	0.8
135.04408	0.8
136.06201	1.1
137.05983	8.7
138.33882	0.6
145.02847	7.3
145.04962	1.3
146.02690	0.9
147.04442	1.5
149.06023	1.0
151.07552	2.4
152.07056	0.6
153.05476	97.5
154.08632	2.6
163.03961	0.8
164.07112	0.8
166.08641	0.7
173.84114	0.7
177.05481	18.5
179.07039	2.3
187.65399	0.6
193.67773	0.6
195.06546	100.0
196.06911	0.8
266.08038	0.7
270.11285	1.0
284.07990	3.2
291.57532	0.6
298.10654	0.9
316.08398	2.4
316.11856	1.7
339.10703	1.6
395.34888	0.7
478.17123	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09960	1.2
51.73671	1.1
53.03954	7.7
54.20847	1.2
55.01880	7.0
55.05516	1.4
56.66273	1.2
57.03437	5.4
57.07084	7.7
58.06565	1.1
61.02934	6.9
62.30792	1.2
67.05514	4.6
68.99805	1.4
69.03437	31.9
69.07080	6.2
69.70588	2.3
69.70989	5.4
70.06593	2.5
71.05000	3.9
73.02913	4.4
74.41251	1.1
76.41074	1.3
79.05498	34.9
81.03425	20.6
81.07079	7.4
83.04990	10.0
83.08670	1.5
85.02912	80.0
86.09717	2.2
87.00837	37.9
91.03954	1.9
91.05499	6.7
93.07053	39.7
95.04974	2.0
95.08610	4.4
97.02901	26.0
97.06538	5.1
99.04472	11.4
105.01878	52.4
105.07044	4.0
107.04942	7.8
107.08614	13.3
108.04473	2.5
109.02895	28.1
109.06550	1.8
109.10182	1.4
117.01865	2.3
117.07027	1.6
119.08546	1.3
121.06544	4.1
121.10181	2.0
123.01073	1.3
125.06005	18.2
127.03927	53.3
129.01801	3.4
131.08514	1.5
133.10153	11.1
135.11707	93.0
137.05945	2.8
139.07558	10.2
145.04980	20.5
147.02914	1.3
149.13258	12.4
153.09125	1.6
153.12798	2.0
159.02914	10.9
159.11708	3.0
177.05486	2.3
177.12755	16.9
189.03931	3.5
194.40253	1.1
195.13829	100.0
213.03947	3.7
213.07617	1.4
213.14972	2.1
226.44543	1.5
231.05049	22.2
236.64435	1.2
248.07620	2.2
249.06091	6.6
284.06226	2.0
303.16107	1.9
303.92130	1.3
317.06506	3.3
354.32175	1.3
383.59805	1.3
389.15527	1.7
407.17416	1.5
478.27347	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92355	1.0
53.03933	1.0
55.05519	7.4
57.03431	3.2
62.06092	35.3
65.03928	1.3
67.05505	26.2
68.81904	0.9
68.89230	0.9
69.07073	7.8
69.60121	2.6
69.60547	4.1
69.64466	1.3
79.05497	14.3
81.07063	21.3
83.08620	3.2
89.30315	0.8
91.05492	9.0
93.07045	18.3
95.08617	21.2
97.06553	1.0
98.06032	1.4
98.98467	7.7
105.07024	6.0
106.41876	0.9
107.08611	8.1
109.10187	7.4
117.06992	1.6
119.08592	4.2
121.10142	8.2
123.11705	1.9
124.01623	1.7
131.08566	3.5
133.10155	4.0
135.11717	4.9
142.02654	1.4
145.10144	2.6
147.11682	3.6
149.13293	2.4
155.01062	3.3
159.11642	1.7
161.13309	1.8
173.02097	1.8
173.13292	1.6
175.14880	1.5
216.06398	3.9
240.89200	1.0
243.21069	2.7
259.68292	0.9
261.11621	1.0
261.22195	7.2
304.26321	8.3
317.24643	2.2
335.25821	100.0
458.26605	7.5
476.27582	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
55.01888	0.9
55.05511	2.6
56.05050	0.7
61.02938	1.2
67.05518	1.5
69.03432	4.6
69.07088	2.9
69.33515	6.3
70.06593	3.7
71.04999	2.4
72.08170	2.2
73.02937	0.9
73.21000	0.7
79.05522	1.4
81.03409	3.6
81.07075	7.7
83.08624	1.5
84.04488	1.0
84.08144	1.7
85.02911	14.4
86.06060	1.0
86.09736	2.8
87.00851	5.9
88.06373	0.7
91.05499	2.8
92.30727	0.7
93.07053	6.4
95.08617	11.6
97.02898	5.1
99.04465	2.7
99.08102	5.2
100.11269	2.8
105.01895	7.6
105.07044	7.3
107.08598	9.5
109.02879	2.6
109.06487	1.2
109.10173	2.0
113.09645	1.5
117.07026	1.0
118.07800	0.8
119.08595	49.7
121.10152	2.0
123.11720	4.6
127.03927	8.9
129.10205	0.8
131.08609	1.8
133.10144	100.0
134.10425	1.1
135.11699	16.9
137.05969	0.9
145.04982	4.4
145.10120	1.0
147.11696	3.6
152.55705	0.8
159.02875	3.1
159.11758	0.8
160.12419	0.8
167.06958	1.2
175.14844	95.7
177.05540	0.9
182.15392	1.4
188.07388	0.8
193.15894	26.2
210.14908	1.4
211.16948	28.1
231.05035	1.7
242.89539	1.0
249.06177	1.0
270.28268	0.7
282.36044	0.8
325.69516	0.8
360.61646	0.9
453.84628	1.0
475.82602	7.6
476.18600	1.4
476.32645	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79409	0.4
53.03931	1.0
55.05283	0.5
55.05513	7.1
57.03439	6.8
62.06085	0.7
65.03917	1.1
65.56987	0.4
67.05504	28.2
69.06737	0.4
69.07068	6.3
69.32671	2.3
69.33078	0.9
71.04991	0.5
79.05494	13.2
79.37780	0.4
81.07055	23.0
83.04977	0.6
83.08627	2.5
90.82108	0.3
91.05476	5.8
93.07041	15.4
95.04969	1.0
95.08606	19.2
97.06525	1.1
97.10173	0.9
98.06046	1.7
98.98446	0.7
105.04518	0.6
105.07021	4.1
107.08595	8.4
109.06496	0.6
109.10154	6.9
112.07571	0.4
117.07001	1.3
119.08575	3.5
121.10143	5.0
123.08024	0.4
123.11686	1.6
124.01622	0.4
131.08604	1.9
133.10152	2.4
135.11703	2.5
145.10141	1.1
147.11668	1.1
149.13257	1.4
159.11687	0.9
161.13214	0.7
173.13245	0.4
181.30670	0.3
198.05290	0.5
207.95729	0.4
210.01585	0.4
216.06393	0.6
233.26657	0.4
297.70447	0.4
304.26343	14.7
335.25797	100.0
336.26196	1.4
370.97360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51322	0.5
53.03950	1.3
55.01871	1.0
57.03425	0.9
61.02916	1.3
66.14616	0.5
69.03425	3.4
70.06583	2.9
70.96027	0.7
70.96381	1.1
71.73570	0.6
72.08149	1.2
72.74887	0.6
73.02885	0.8
79.05490	0.7
80.62392	0.5
81.03405	1.6
84.04498	0.5
84.08148	1.3
85.02898	7.7
85.38612	0.5
86.09698	2.0
87.04449	1.1
89.03915	3.7
91.05480	4.1
93.07042	7.3
95.04964	1.3
97.02891	2.6
99.08093	2.0
103.05457	3.7
109.02899	1.2
109.49635	0.6
116.07145	0.6
117.03384	14.7
119.04919	0.8
119.08533	0.6
120.08092	1.1
121.06505	34.7
127.03925	1.2
133.10103	0.7
134.03613	0.9
135.11664	0.8
135.45303	0.5
136.07596	0.6
145.02844	49.7
146.03246	0.6
149.05994	5.2
151.07521	0.8
163.03981	1.0
164.07034	1.1
167.07008	1.2
177.05466	100.0
178.05872	1.0
184.95306	0.6
186.03130	0.5
186.05545	0.8
193.15833	2.8
194.08170	0.8
201.97845	0.5
209.15341	0.6
314.13855	91.2
315.14301	1.3
330.13385	0.6
356.14835	0.6
388.95349	0.5
394.96555	0.6
476.32874	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	475.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18137	3.0
53.03942	4.5
55.05506	18.5
57.03424	4.9
57.07061	5.0
59.04996	10.2
67.05511	41.4
68.06690	2.6
69.07072	31.4
69.95441	4.1
69.95773	13.3
71.05003	21.6
79.05496	29.3
81.07055	71.0
83.04990	10.4
83.08633	14.6
85.06535	8.7
90.86406	3.0
91.05487	26.8
93.07050	64.2
93.63601	3.2
95.08611	73.6
97.06521	21.2
97.10192	4.1
98.20907	5.0
98.21418	4.9
98.98469	6.4
99.08111	8.5
105.07025	49.1
107.08589	54.7
109.06521	9.9
109.10157	100.0
111.08087	19.1
113.09681	4.4
115.05369	3.2
117.07023	8.0
119.08581	47.6
121.10139	40.9
123.08081	13.1
123.11724	26.6
125.09609	9.8
127.11205	11.7
129.07021	3.4
131.08563	18.8
133.10144	34.7
135.08058	5.0
135.11681	30.3
136.99994	3.4
137.09625	24.3
137.60974	3.1
139.11162	7.5
143.08592	3.4
145.02827	7.9
145.10100	28.4
147.11693	30.3
149.09596	16.6
149.13277	26.6
151.11157	20.8
155.10701	4.7
157.10147	15.5
159.11688	25.8
161.13223	17.5
161.61938	3.1
163.11192	13.1
163.14822	12.0
165.12796	11.4
171.11722	13.1
173.13249	18.7
175.14844	17.9
177.05510	6.4
181.12270	12.3
185.13208	9.0
187.14763	17.4
189.16435	9.9
191.14394	3.2
193.15909	4.6
194.11494	7.1
199.14832	8.7
201.16443	10.4
203.17757	4.7
211.14848	5.5
213.16406	8.6
215.17982	8.9
227.17943	8.9
229.19554	5.7
243.20929	5.1
255.21141	6.7
257.22574	3.8
283.24252	3.8
295.23895	3.9
313.25189	9.5
331.26389	7.8
421.34586	9.1
439.35788	21.1
457.36786	33.8
475.22131	4.0
475.37579	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	476.192
Annotation	Dauricoside
Peak:m/z	Relative Intensity
53.03934	0.9
55.01870	0.4
55.05526	0.5
57.03430	1.3
61.02917	1.5
63.02370	0.5
69.03439	4.7
70.06593	2.0
70.42269	1.1
70.86723	0.3
71.05001	0.6
72.08152	1.3
73.02919	0.5
74.05107	0.4
74.06067	0.3
74.32382	0.3
74.40390	0.3
79.05505	0.6
81.03434	1.8
81.07055	0.4
83.01352	0.5
83.04983	0.6
84.04487	0.3
84.08152	1.0
85.02905	9.4
86.03216	0.4
86.09699	2.3
87.00832	0.5
87.04458	0.8
88.68554	0.3
89.03912	3.6
89.09795	0.3
91.03956	0.3
91.05483	4.2
91.19010	0.3
93.06486	0.5
93.07048	5.4
95.04942	0.7
97.02888	2.9
98.97556	0.3
99.04447	0.9
99.08087	1.7
100.08384	0.6
100.10104	0.3
103.05460	3.9
105.01900	0.5
105.04519	0.4
105.07034	0.7
107.08583	1.0
109.02877	1.4
109.06524	0.3
110.07177	0.5
117.03383	15.2
119.04986	0.5
120.08112	0.6
121.06507	36.1
121.10114	1.0
122.10469	0.4
125.09637	0.6
126.09959	0.4
127.03928	1.8
129.10265	1.0
133.10159	0.7
134.03659	0.7
134.10466	0.9
135.04422	0.8
135.11690	0.4
136.07512	0.4
145.02847	52.0
149.05971	4.4
149.09610	1.0
150.09956	0.7
151.07564	0.9
162.02951	0.3
163.03903	1.2
163.07535	0.4
164.07079	1.1
173.13130	0.6
177.05473	100.0
178.05809	0.9
186.05492	0.7
191.14378	0.8
191.59375	0.4
192.14655	0.7
194.08159	0.7
201.71825	0.3
209.15363	5.2
210.15735	6.6
212.00049	0.3
227.16417	0.8
228.16776	1.1
308.23779	0.3
314.13864	94.5
315.14133	0.8
450.47198	0.4
456.25510	0.3
475.32614	1.6
476.18121	1.4
476.32950	9.7
482.84430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1236
Annotation	Aristofolin A
Peak:m/z	Relative Intensity
53.54278	0.2
55.05492	0.3
67.05483	0.4
69.03394	0.3
69.07056	0.3
71.52042	0.3
77.03946	0.4
81.07044	0.9
91.05477	0.5
93.07030	0.9
95.08610	1.6
98.97566	0.3
105.03365	1.4
105.07020	0.3
107.04945	0.3
107.08595	0.4
109.10110	0.5
119.08617	0.3
121.06504	0.6
121.10126	0.4
135.11702	0.8
151.03885	0.3
152.06245	0.9
153.06973	5.8
160.01556	0.3
165.07008	3.7
165.09125	0.7
167.06967	0.3
169.06548	0.4
178.02568	0.3
181.06471	2.8
191.17941	0.3
193.06454	1.0
209.05984	14.2
219.01651	0.6
221.06010	0.6
224.04675	0.4
234.58292	0.3
237.02936	0.9
237.05415	5.7
252.04169	2.5
261.28568	0.3
265.04956	32.2
266.05417	0.3
279.02823	0.8
280.03674	3.4
283.47089	0.3
295.06015	100.0
296.06296	0.9
368.08487	0.3
385.94022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48987	1.7
53.03938	3.0
55.01855	2.1
55.05507	4.5
59.05001	1.8
61.02929	2.4
62.27432	1.7
67.05495	7.0
68.99789	1.9
69.03438	9.4
69.07065	6.1
69.61480	11.3
70.06599	21.6
71.05007	12.3
72.08164	12.1
73.02888	3.0
79.05474	3.1
81.03415	7.8
81.07047	7.2
83.08611	3.0
84.04494	3.4
84.08141	4.0
85.02915	24.0
85.06549	10.0
86.09313	2.1
86.09717	24.2
87.00823	6.6
87.05579	2.2
87.10027	2.4
91.05468	5.5
93.07049	12.3
95.04974	66.1
95.05573	4.0
95.08612	8.8
97.02884	7.4
97.06522	5.7
99.04460	23.9
99.08098	10.2
105.01871	4.9
105.07019	7.9
107.08590	19.3
109.02866	8.2
109.06491	6.4
109.10165	25.5
111.04435	2.1
111.08082	2.1
115.07536	4.9
116.07093	2.1
119.08574	7.4
119.26379	2.1
120.08093	3.3
121.10153	8.2
123.11713	14.5
123.49021	2.3
125.09617	2.8
127.03927	13.1
127.07533	3.2
129.10214	3.5
131.08562	9.6
133.10150	66.2
135.08069	7.6
137.05948	2.1
139.11177	4.6
145.02834	4.1
145.04974	5.1
145.10129	3.3
147.11734	3.7
148.06018	2.1
149.09674	2.7
149.13263	8.1
151.11169	12.6
153.09135	28.2
158.10934	2.9
159.02844	3.8
161.09616	2.3
163.14824	4.2
167.07063	3.6
169.12247	9.7
173.13301	28.9
177.05426	5.6
178.05844	2.2
187.10796	2.9
191.14314	54.7
199.09789	1.9
201.12285	4.1
209.15375	100.0
227.12880	2.3
227.16457	17.1
231.04948	2.4
247.10953	3.2
261.14551	2.1
265.56183	1.7
412.53278	1.9
475.22079	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.41066	0.4
55.01865	1.4
55.05522	2.2
56.05027	0.4
56.96561	1.2
57.03427	1.3
57.07056	0.4
59.05001	0.4
60.04516	0.4
61.02913	1.2
67.05492	1.1
68.99777	0.5
69.03432	6.5
69.07063	2.3
70.06591	6.3
71.04988	1.5
72.08159	3.3
73.02908	0.9
74.06072	0.7
79.05482	1.3
81.03416	3.6
81.07046	2.3
83.01340	2.2
83.04980	1.9
83.08611	1.3
84.04488	1.2
84.08139	2.9
84.96018	0.6
85.02906	10.0
85.06538	1.2
86.09710	8.2
87.00833	3.2
87.04482	0.8
91.05457	1.9
93.07050	3.2
95.04964	0.6
95.08598	2.2
97.02891	3.9
97.06519	1.5
98.20719	0.9
98.97563	1.9
99.04480	2.4
99.08095	7.8
99.08698	0.8
101.06002	2.4
103.05442	1.1
105.01882	2.1
105.07038	2.2
107.08595	4.8
109.02886	3.6
109.06526	1.9
109.10168	2.5
110.07162	1.5
110.97541	0.7
111.04411	0.5
111.08069	1.1
116.07069	0.8
116.98569	0.8
117.03379	1.3
119.04934	0.8
119.08577	1.5
120.08121	1.4
121.06519	2.5
121.10154	6.7
121.12489	0.4
123.08105	1.0
123.11711	0.7
125.09647	2.4
127.03937	5.4
128.98616	0.6
129.10240	1.7
131.04907	0.8
131.08583	1.3
133.02872	0.6
133.10135	5.7
134.80013	0.4
135.08006	2.2
135.11697	1.8
136.07581	0.5
137.05978	1.8
137.09633	2.7
139.07550	1.8
139.11183	1.2
145.02855	5.0
145.04974	2.5
145.10167	0.8
147.04373	0.5
147.11722	0.5
149.05966	1.3
149.09625	7.3
149.13257	2.0
151.03860	0.8
151.11179	2.6
153.09129	1.6
159.02995	0.9
161.05946	0.7
163.03893	0.7
163.07419	0.7
163.14864	2.5
165.12761	0.6
167.07025	1.3
173.13257	3.0
175.07523	0.7
177.05458	7.8
177.06880	0.5
181.15900	1.4
185.16461	0.6
187.07475	0.4
191.07014	0.6
191.14308	7.3
201.12363	0.6
209.15367	52.0
210.15802	0.6
213.04050	0.5
213.16057	0.6
219.01828	1.2
227.14250	0.3
227.16409	7.2
237.02885	1.2
263.14178	0.6
309.10989	0.5
313.07089	0.5
314.13873	5.4
335.09296	0.7
360.60587	0.5
367.59192	0.5
369.11078	0.7
369.61136	4.6
370.11404	1.3
384.61600	1.0
436.62546	0.5
457.31754	0.7
475.32584	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95398	0.1
53.03950	0.2
57.03444	0.2
61.02917	0.3
63.02359	0.4
69.03436	1.0
69.07046	0.2
70.06599	1.0
70.06920	0.2
70.07669	0.7
71.04971	0.2
72.08157	1.2
73.02902	0.3
74.06072	0.2
78.04714	0.3
81.03417	0.5
83.92330	0.2
84.04496	0.7
84.08126	0.6
85.02908	2.7
86.09712	3.0
89.03917	4.1
89.04433	0.4
91.05486	0.5
93.06992	0.2
95.04971	0.2
97.02897	0.9
99.04410	0.3
101.07139	0.2
102.05544	0.3
103.05453	0.4
106.04199	0.4
107.04966	0.6
109.02889	0.2
110.07185	0.3
115.05433	0.4
117.03384	17.1
117.07014	0.8
121.02874	0.7
127.03923	0.6
129.10242	0.4
130.04967	0.2
134.03604	1.4
135.04404	0.8
136.07564	0.5
137.06004	0.3
144.04527	0.2
145.02850	51.6
145.06490	4.9
147.04411	0.2
147.07654	0.2
149.05991	6.2
155.06003	0.5
160.05156	0.2
160.07646	0.3
162.05521	1.1
163.03902	0.5
164.07065	0.2
175.07556	0.8
176.07137	0.3
177.05473	100.0
178.05763	0.9
186.05478	0.6
187.14297	0.2
188.07059	1.7
201.05470	0.5
226.76482	0.2
228.13422	0.5
242.14801	0.2
244.09213	0.3
260.16046	0.4
312.12292	26.4
313.12692	0.4
366.66891	0.2
465.43808	0.2
474.17654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95398	0.1
53.03950	0.2
57.03444	0.2
61.02917	0.3
63.02359	0.4
69.03436	1.0
69.07046	0.2
70.06599	1.0
70.06920	0.2
70.07669	0.7
71.04971	0.2
72.08157	1.2
73.02902	0.3
74.06072	0.2
78.04714	0.3
81.03417	0.5
83.92330	0.2
84.04496	0.7
84.08126	0.6
85.02908	2.7
86.09712	3.0
89.03917	4.1
89.04433	0.4
91.05486	0.5
93.06992	0.2
95.04971	0.2
97.02897	0.9
99.04410	0.3
101.07139	0.2
102.05544	0.3
103.05453	0.4
106.04199	0.4
107.04966	0.6
109.02889	0.2
110.07185	0.3
115.05433	0.4
117.03384	17.1
117.07014	0.8
121.02874	0.7
127.03923	0.6
129.10242	0.4
130.04967	0.2
134.03604	1.4
135.04404	0.8
136.07564	0.5
137.06004	0.3
144.04527	0.2
145.02850	51.6
145.06490	4.9
147.04411	0.2
147.07654	0.2
149.05991	6.2
155.06003	0.5
160.05156	0.2
160.07646	0.3
162.05521	1.1
163.03902	0.5
164.07065	0.2
175.07556	0.8
176.07137	0.3
177.05473	100.0
178.05763	0.9
186.05478	0.6
187.14297	0.2
188.07059	1.7
201.05470	0.5
226.76482	0.2
228.13422	0.5
242.14801	0.2
244.09213	0.3
260.16046	0.4
312.12292	26.4
313.12692	0.4
366.66891	0.2
465.43808	0.2
474.17654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.05520	10.3
55.18603	1.0
57.03440	2.5
57.07067	1.3
61.02917	1.4
67.05508	5.1
69.03442	4.9
69.07069	3.8
70.06586	4.2
71.04996	1.9
72.08163	100.0
74.50475	1.1
79.05504	16.5
81.03409	3.3
81.07065	15.5
83.04974	1.2
83.08632	1.3
84.08153	2.2
85.02919	10.4
86.09697	1.9
91.05475	7.5
93.06491	2.0
93.07052	28.6
95.04995	1.2
95.08620	9.6
97.02884	3.6
97.06501	2.2
105.07013	5.2
107.04955	2.0
107.08608	16.1
109.06511	4.1
109.10159	2.4
111.08035	1.0
114.09187	1.2
117.07011	3.8
118.08668	68.4
119.08612	3.5
121.06506	3.0
121.10154	3.2
123.08099	2.1
127.03936	3.0
129.06898	1.1
131.08546	2.7
133.10136	7.0
135.08041	3.9
135.11707	17.7
137.06012	1.9
137.09631	1.3
145.02789	2.1
145.04929	2.1
145.10123	2.9
147.11728	2.1
149.13274	18.9
151.07547	1.5
151.11191	2.5
151.14819	1.8
153.12787	1.4
155.08534	1.3
157.10184	1.2
159.11719	4.6
161.09676	1.4
161.13254	1.1
163.11194	1.7
165.09161	2.5
167.07047	1.4
171.11623	1.5
173.13202	1.3
177.05469	3.2
177.12755	11.0
178.12172	1.6
181.12225	3.9
185.13318	1.1
189.12709	1.3
195.13742	1.6
199.11249	1.9
201.12837	1.8
225.12721	1.5
240.15982	5.8
240.18106	1.0
248.20134	12.7
266.21182	2.5
275.16302	1.3
276.19653	1.8
282.62143	1.2
285.14639	1.2
294.20679	64.7
303.15921	1.3
309.81384	1.2
312.21753	23.0
426.92047	1.2
456.31699	1.5
474.20300	1.7
474.26633	2.3
474.33069	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01871	3.4
55.05518	0.7
56.05016	0.7
57.03419	2.3
61.02917	2.4
68.99767	1.3
69.03085	0.8
69.03430	9.4
69.79536	2.4
70.06592	3.4
71.04979	1.9
72.08153	1.5
73.02917	3.3
81.03423	11.6
81.07042	0.8
84.08134	1.1
85.02905	27.6
86.09689	2.1
87.00838	10.4
89.03928	2.2
91.03970	1.3
91.05473	2.3
93.07040	1.1
95.04977	0.7
97.02895	11.2
99.04452	5.6
103.05446	0.7
105.01221	0.6
105.01881	9.0
105.03404	0.8
105.07013	1.0
107.05003	0.7
107.08551	0.8
108.04485	1.0
109.02882	10.5
109.10171	0.7
110.07123	0.7
117.01822	1.5
117.03387	8.1
119.08597	0.7
121.06502	2.6
127.03917	20.0
129.01820	1.7
129.10289	0.7
131.04936	1.2
133.10138	0.9
135.04396	1.1
137.05963	1.5
145.02855	31.1
145.04929	11.0
147.02847	0.8
149.05980	4.7
159.02887	7.4
161.05980	0.5
162.03110	0.8
163.03972	1.7
163.07529	0.6
164.07112	0.9
167.07008	1.7
169.33183	0.5
175.07523	0.6
177.05470	100.0
178.05742	1.0
186.05455	0.9
187.07530	0.8
191.06999	0.9
192.07822	1.3
192.95407	0.6
201.05542	0.7
209.08098	46.1
213.04010	0.9
215.07082	0.7
219.06467	1.5
231.05016	4.3
236.08250	0.6
243.06529	0.9
246.62105	0.6
247.07527	1.6
267.06854	0.6
279.10162	1.7
285.07571	1.4
296.10562	1.2
301.17899	1.4
302.18427	0.8
311.12750	2.2
371.11295	0.9
438.91122	0.6
474.19272	0.6
474.33200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1736
Annotation	Raloxifene
Peak:m/z	Relative Intensity
56.05017	0.3
58.57569	0.2
59.57981	0.2
60.62245	0.2
67.12299	0.2
70.06599	1.3
71.30634	0.5
72.08165	1.2
74.09188	0.3
74.33234	0.2
79.05488	0.3
83.06100	0.4
84.04466	0.7
84.08114	0.8
85.02888	0.3
86.03526	0.3
86.09713	1.4
87.47417	0.3
87.71150	0.3
95.06084	0.4
96.04468	0.3
96.92286	0.3
96.95586	0.2
98.97598	0.3
104.04973	0.3
105.03381	0.8
105.05762	0.7
111.05557	3.6
116.07055	0.3
120.04460	2.6
123.05544	0.7
125.05846	0.6
126.06645	1.5
129.10202	0.6
132.04460	22.7
133.05235	0.4
134.06012	4.1
137.04671	1.5
145.03960	0.4
146.02408	0.5
151.06152	9.7
152.04640	0.3
159.05573	0.3
161.05978	0.4
166.07216	0.5
175.08722	0.3
177.04088	0.4
177.05457	0.6
180.08780	0.6
194.04971	0.3
194.06746	4.4
195.07492	0.6
202.09679	1.7
208.08252	0.3
214.09669	0.3
216.11346	0.6
227.09212	0.3
230.09267	1.3
232.10802	0.8
242.09276	5.0
255.08670	0.5
257.10336	4.7
258.08679	0.5
259.11911	10.5
284.08420	0.5
284.11432	7.0
302.12479	12.7
327.11942	3.9
345.13065	100.0
346.13470	1.6
372.34781	0.3
421.88217	0.3
428.16751	0.3
456.16129	1.3
474.17340	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3631
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05498	6.4
57.03423	5.0
58.77176	2.1
58.77473	2.4
65.04912	2.4
67.05483	8.2
69.07059	10.7
70.93871	5.1
76.07809	2.4
79.05486	9.2
81.07053	23.2
83.08638	5.9
84.93291	1.9
85.06539	2.7
91.05474	7.1
93.07045	18.7
95.08614	31.8
95.45094	2.1
97.02939	3.0
97.10128	3.0
98.98462	7.9
104.71049	2.5
105.07028	8.8
107.08605	25.2
109.06509	2.7
109.10143	14.6
111.08035	2.3
119.08591	17.9
121.10167	20.4
122.66759	2.1
123.11700	8.2
125.09622	3.2
131.08609	6.1
133.10176	11.9
135.08043	2.6
135.11729	17.7
136.99979	6.1
137.13394	2.2
143.08594	3.3
145.10103	7.1
147.11703	14.5
149.09554	5.0
149.13268	14.5
154.94193	3.5
155.00983	5.4
157.10086	3.4
159.11713	6.1
161.13269	10.3
163.14783	11.3
171.11740	2.9
173.13228	6.0
175.14848	7.2
177.16396	11.1
179.14334	3.6
185.13257	2.5
187.14812	10.4
189.16411	20.6
191.17960	6.1
201.16377	9.4
203.17960	4.7
205.15895	68.7
207.17477	32.9
211.03682	3.1
213.16354	4.8
215.17897	4.6
219.17448	4.2
229.19571	2.9
255.21033	6.5
267.90070	2.2
268.90567	2.7
303.02014	2.7
308.38840	2.3
337.20761	2.2
337.27460	4.6
373.61169	2.3
391.33496	3.7
409.34628	10.5
427.35773	100.0
428.35953	3.2
437.33768	2.7
441.61105	2.3
455.17648	3.0
473.19019	6.7
473.26871	8.6
473.36359	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.46215	0.7
55.05508	3.9
57.07059	1.3
65.03942	0.7
67.05505	4.3
69.07076	5.0
71.04987	0.7
73.63689	1.0
79.05489	3.8
81.07059	13.0
83.04967	1.0
83.08625	3.3
85.06533	1.4
91.05488	6.1
93.07046	12.3
95.04964	1.1
95.08615	19.1
97.06503	1.0
97.10181	1.5
98.29189	0.9
104.87981	0.9
105.07038	10.9
107.08603	18.9
109.06539	1.9
109.10159	9.1
111.08080	1.4
117.06988	1.6
119.08591	17.4
121.10159	12.5
123.08087	4.0
123.10942	0.8
123.11709	5.0
125.09648	1.4
131.08551	5.0
133.06561	0.8
133.10149	13.1
135.08104	1.5
135.11705	13.2
137.09618	1.7
137.13249	1.2
143.08571	2.2
145.10130	10.7
147.11699	10.7
149.09682	1.4
149.13289	6.7
151.11151	4.4
157.10133	2.9
159.11700	8.1
161.09631	1.1
161.13257	8.4
163.14845	6.7
165.12770	0.9
171.11697	3.2
173.13327	4.1
175.14822	5.7
177.16396	3.3
179.14360	1.0
181.10117	0.8
185.13284	2.5
187.14812	8.0
189.12785	2.7
189.16402	13.0
191.14369	2.8
191.17958	3.0
199.14803	2.3
201.16397	16.6
203.17964	8.7
205.15892	7.3
207.17448	15.1
213.16432	2.3
215.18002	6.2
217.19568	1.1
219.13933	1.5
219.17369	2.1
221.18988	2.0
227.18001	1.5
229.19514	2.6
231.13837	0.9
235.17009	0.9
239.18033	1.0
241.19568	1.5
243.21060	1.7
247.16940	8.5
255.21057	4.6
257.22665	2.3
269.22647	2.6
283.47992	0.8
287.20056	1.7
289.21414	0.8
301.21582	3.2
303.23221	1.5
313.21777	1.0
315.23270	1.5
331.26254	5.3
357.27924	3.3
391.33575	2.1
401.72049	0.8
409.35278	5.5
427.35773	100.0
428.36081	1.2
437.34482	6.6
455.30566	3.9
455.36069	1.7
473.36066	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	473.3629
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05393	1.7
55.05680	1.2
56.96480	1.2
56.96718	1.0
57.07003	0.7
67.05368	2.9
67.05760	0.7
69.06927	3.4
69.07333	0.9
69.54065	3.0
75.38982	0.5
79.05345	2.5
81.06905	9.1
81.07442	1.8
83.08471	1.8
91.05323	3.1
93.06881	7.7
93.07513	1.0
95.08447	12.5
95.09097	1.7
97.06383	1.3
97.10025	1.6
98.21511	0.8
98.98314	1.0
100.72122	0.5
102.92450	0.5
105.06859	7.8
105.07614	1.0
107.08418	14.1
107.09203	1.6
108.45802	0.5
109.06387	1.0
109.09978	7.2
109.10780	0.9
111.07883	1.8
117.06834	1.7
117.07615	0.6
118.91937	1.3
119.08401	14.9
119.09340	1.7
121.09962	9.9
123.07887	2.9
123.11530	3.8
125.09454	1.0
131.08380	4.5
133.09947	12.8
133.11043	1.0
135.07935	0.6
135.11514	12.3
135.12614	1.0
136.92937	8.3
136.93991	0.9
136.99829	0.7
137.09480	0.9
137.13133	0.9
143.08400	1.4
144.09277	0.5
145.10126	6.9
147.11497	11.0
149.09477	0.6
149.13268	6.2
151.11034	1.5
154.94171	11.4
155.00938	0.9
157.09904	1.5
159.11699	6.7
160.12329	0.5
161.13264	5.4
163.14833	5.4
165.12630	0.9
171.11491	1.7
172.95241	6.7
173.13249	4.6
175.14841	6.2
177.16435	2.8
177.17557	0.8
177.95621	0.6
179.14143	0.8
180.41354	0.5
183.11469	0.6
185.13052	1.6
186.13820	0.6
187.14833	8.6
189.12585	0.5
189.16408	12.2
190.96172	1.4
191.17781	1.9
199.14667	2.0
201.16385	16.0
203.17982	9.5
205.15863	6.1
205.19397	0.6
207.17453	14.7
210.96738	3.3
213.16147	1.5
215.17972	5.1
217.19373	1.2
219.17303	1.9
221.18910	1.2
225.16260	0.6
227.17856	1.1
228.97823	4.1
229.19563	2.3
231.20781	0.5
233.15244	0.8
233.18857	1.1
235.16684	0.9
241.19345	1.9
243.21036	2.4
247.16930	7.0
255.21109	6.5
257.22479	1.9
261.18295	0.6
269.22488	2.3
287.20026	0.7
299.19836	0.6
301.21585	2.7
303.23105	1.4
315.23413	0.8
319.19470	4.2
331.26343	5.1
337.20551	4.6
344.66586	0.6
353.73172	0.5
357.28046	3.7
360.22253	0.7
391.33728	2.9
409.34497	5.1
427.35733	100.0
428.36060	2.3
437.34152	7.0
455.18845	3.2
455.35165	3.9
458.36398	0.5
473.19830	21.1
473.27298	1.2
473.35226	14.7
474.20386	0.7
481.52191	0.5
496.21808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
53.53317	0.5
55.01841	1.5
55.05468	5.0
57.03392	2.0
57.07038	1.8
65.03925	1.1
67.05512	10.8
69.03431	4.5
69.07085	4.4
69.39513	1.3
69.39932	3.4
70.06589	7.7
70.32682	0.7
71.04945	2.0
72.08160	5.0
73.02869	0.7
78.38554	0.6
79.05516	3.9
81.03372	2.5
81.07057	9.2
83.04961	1.5
83.08621	6.9
83.96786	0.6
84.04450	1.9
84.08136	3.0
85.02910	4.7
85.06523	1.1
86.09709	10.2
86.62468	0.6
87.00791	1.1
88.03939	0.8
91.05481	7.7
92.05776	1.1
93.07056	6.6
95.04987	3.5
95.08612	7.5
97.02855	1.6
97.06477	2.6
97.10118	2.8
97.35815	0.6
98.97573	1.1
99.04424	1.6
103.05415	0.9
105.01828	1.0
105.07047	5.2
107.04931	1.3
107.08592	8.2
109.02854	2.4
109.06483	2.0
109.10162	26.7
110.07098	0.9
111.04406	0.7
111.08044	1.9
115.05419	1.2
115.08598	0.7
116.07072	0.7
117.03304	1.4
117.06960	2.3
119.04917	1.2
119.08594	4.9
120.08068	1.6
121.06506	5.3
121.10139	3.1
123.04417	1.4
123.08087	4.8
123.11694	0.7
125.09644	3.1
127.03913	3.2
127.11200	9.0
128.06140	1.0
129.06984	1.9
129.10199	2.4
130.05029	0.6
130.07703	0.8
131.04875	1.4
131.08572	4.9
132.05643	1.2
133.06425	1.1
133.10123	4.0
135.08012	2.2
135.10852	0.7
135.11696	7.3
137.05940	3.3
137.09560	1.9
137.13181	2.5
139.11066	0.7
141.06964	1.0
143.08565	4.5
143.10689	0.8
145.02884	3.0
145.04890	1.2
145.10138	6.2
147.08015	2.5
147.11717	3.0
149.05946	1.7
149.09554	1.8
149.13240	1.0
151.07481	2.4
153.12738	4.1
155.08467	2.3
155.14316	10.1
157.10092	2.5
159.02869	1.3
159.07993	2.4
159.11626	2.3
161.09631	1.4
161.13188	0.8
163.03923	0.8
163.07472	1.1
163.11157	2.5
165.06921	0.7
165.09076	1.4
167.06987	2.7
167.08467	1.2
168.09286	1.0
169.10060	2.3
171.08018	2.1
171.11653	1.9
171.13802	4.0
173.09657	5.2
173.13278	7.3
175.06119	0.8
175.07564	0.6
175.11153	2.0
175.14761	0.7
177.05496	8.1
179.07004	0.8
179.08501	1.2
180.07745	1.1
181.10106	2.8
181.12047	0.6
182.10909	0.9
183.08026	0.9
183.11604	2.5
184.12415	0.8
185.09540	1.3
185.13229	2.3
187.11121	1.3
189.09042	1.9
189.12712	1.9
191.07005	1.5
191.10701	1.6
191.14279	1.0
192.07782	3.0
193.10197	1.3
193.15872	1.1
194.10698	0.7
195.11644	3.6
197.09584	1.5
197.13249	2.3
199.11188	1.7
199.14766	1.0
201.12538	2.4
203.14380	0.7
205.10100	1.5
207.11789	1.0
207.13768	2.9
209.08043	3.2
209.09767	0.8
209.13246	2.5
210.10408	1.0
211.11102	2.0
211.14752	1.8
213.12689	2.4
215.14287	2.0
217.10175	1.3
219.08038	0.9
219.11685	1.0
221.13396	1.2
223.11151	2.4
223.14751	1.3
225.07927	1.1
225.12744	3.6
225.14836	2.1
227.10686	0.8
227.14220	1.5
229.12025	1.5
229.15547	0.9
231.04898	1.0
235.11273	1.4
236.11887	0.8
237.12750	1.8
237.16327	3.4
239.14326	3.0
245.18588	1.1
247.07491	2.3
247.14859	1.0
250.13469	1.8
251.14304	0.7
253.15991	1.1
255.17413	0.9
263.14114	0.9
265.15851	5.3
265.18338	0.7
265.19550	0.6
279.10037	1.6
281.15414	0.9
283.16940	17.3
285.18298	1.1
293.19058	1.3
296.10483	1.0
299.16479	2.2
301.17993	100.0
302.18616	3.2
303.19635	2.9
311.05527	2.0
311.12750	2.2
311.20023	4.9
313.21625	1.1
319.19107	2.5
329.21103	10.3
331.22720	2.0
335.07370	0.7
339.19589	1.7
347.22119	1.2
353.10129	1.8
353.21191	2.8
357.20511	3.2
371.11270	1.9
371.22290	2.0
419.29251	0.9
429.14352	0.8
437.30502	6.5
455.31610	22.0
472.64612	0.7
473.14053	1.0
473.27466	1.2
473.32724	27.2
474.33957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19762	0.9
55.01884	1.0
55.05516	20.0
57.03444	8.6
57.07078	9.0
63.44248	0.8
67.05183	1.1
67.05511	15.7
67.99773	0.7
69.07072	28.3
69.47346	4.2
69.47767	1.7
71.05022	0.9
71.08636	3.8
79.05504	6.4
79.29122	0.9
81.07061	15.3
83.04948	1.0
83.08624	17.4
85.10173	1.3
91.05478	1.2
93.07050	9.1
95.08617	16.2
97.06542	2.2
97.10185	10.9
98.21541	1.7
105.07005	0.9
107.08599	7.4
109.10161	6.2
111.08103	1.8
111.11700	2.1
121.10139	7.3
123.11739	1.9
125.09653	0.8
134.98196	100.0
135.11688	4.8
149.13231	2.0
176.00906	2.0
209.01947	1.7
302.27560	0.9
339.28955	39.5
361.27145	6.6
464.95676	0.9
473.26425	83.9
473.33005	6.2
474.27103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3266
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
52.89079	1.4
53.03934	2.3
55.05524	7.3
67.05231	1.5
67.05509	16.0
69.07056	3.8
69.32396	9.8
79.05486	9.2
81.07077	11.2
83.05011	1.8
91.05486	11.1
93.07045	14.0
93.46966	1.6
95.04958	11.5
95.08616	25.6
97.02837	1.3
97.06543	2.7
97.10175	3.0
98.20831	3.4
98.97567	3.0
105.07033	15.5
107.04972	1.8
107.08603	37.8
109.06493	3.9
109.10157	14.6
111.08049	2.0
112.76003	1.5
117.07001	4.4
119.08584	11.1
121.06533	3.6
121.10155	10.7
123.08102	8.5
123.11699	6.5
125.09652	9.9
131.08580	9.7
133.06488	2.1
133.10136	12.1
135.08034	1.7
135.11697	7.1
137.84483	1.5
143.08560	4.5
145.10121	14.5
146.36020	1.6
147.08035	2.9
147.11707	7.3
149.09602	3.6
149.13254	3.8
150.22122	1.5
151.11192	50.0
153.12741	3.0
155.08516	3.0
157.10120	5.3
159.11723	8.7
161.09602	3.1
161.13219	4.6
162.59367	1.5
163.11137	2.3
163.14812	2.3
171.11673	4.3
173.09627	6.6
173.13245	10.3
175.11201	3.8
175.14835	4.1
177.12712	1.8
183.11734	2.2
185.13239	3.9
187.11255	2.4
187.14813	1.7
189.12778	3.6
189.16335	2.4
191.14317	43.3
191.17911	2.3
197.13298	1.8
199.14902	2.7
201.12801	3.8
203.14374	1.4
207.11536	1.6
207.13879	1.9
209.13211	1.8
215.14284	2.4
215.37064	1.8
219.13817	6.1
219.17455	2.1
223.14841	2.2
227.14319	2.5
233.15387	2.4
267.17606	3.4
285.18478	2.6
287.19965	2.7
295.20306	3.1
303.19467	1.5
313.21625	5.2
331.22675	3.5
341.20853	3.7
409.30869	3.5
427.31790	2.2
435.48218	1.6
437.30353	11.2
455.31622	100.0
456.31766	2.6
473.32932	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14094	1.3
53.03940	4.3
55.01870	2.3
55.05508	8.8
56.05029	1.6
56.96552	2.2
57.03424	4.2
57.07079	2.5
61.02929	2.5
67.05510	10.6
69.03436	19.6
69.07063	7.4
69.50394	8.7
70.06599	16.8
71.04996	3.5
72.08167	12.3
73.02921	2.9
79.05489	6.3
79.10595	1.4
81.03424	13.1
81.07067	7.6
83.04980	4.0
83.08627	1.8
84.04490	3.2
84.08156	5.1
85.02907	21.9
85.06554	2.3
86.09708	44.6
87.00810	8.6
87.04475	4.4
91.05478	12.6
93.07064	12.1
95.04967	2.6
95.08615	83.4
97.02905	10.9
97.06509	2.0
99.04456	5.5
103.05481	2.7
105.01869	5.0
105.07032	28.3
107.04967	3.4
107.08604	16.5
109.02895	8.8
109.06532	4.3
109.10133	7.7
110.07177	3.0
111.08112	1.7
115.03951	4.5
116.07096	2.4
117.07056	3.3
119.04987	3.6
119.08591	53.5
120.08080	2.1
121.06500	4.9
121.10152	16.6
123.08073	16.3
127.03918	12.0
129.24255	1.6
130.04965	1.7
131.08565	6.7
133.04982	4.5
133.06490	10.1
133.10146	27.0
135.08063	2.6
135.11699	75.0
137.05959	3.1
137.09625	12.2
137.13271	6.5
143.07375	2.3
143.08517	3.0
144.06564	1.6
144.08061	9.5
144.71376	1.7
145.01711	1.9
145.02783	2.9
145.04964	5.0
145.10100	3.8
147.08034	8.8
147.11688	34.5
149.09642	20.7
151.07571	8.6
156.09370	4.1
158.09637	6.9
159.02922	5.2
159.08061	4.1
159.11725	4.1
160.12109	2.5
161.09586	2.3
161.13260	100.0
162.09148	7.2
163.11172	2.3
165.09119	3.5
165.12740	3.8
167.07082	4.9
167.10658	2.5
171.11714	7.0
174.10382	5.2
177.05489	4.5
177.12764	3.3
179.14253	8.4
185.13434	1.8
185.16489	3.4
186.09099	10.4
189.12753	79.9
192.25613	2.1
195.10060	1.9
198.13359	1.5
199.18098	4.8
204.10201	16.3
207.13815	93.7
213.12454	1.7
213.16074	3.6
224.63887	1.5
225.14845	8.4
227.17566	2.9
247.12920	5.1
252.18237	3.8
269.18918	1.8
270.19305	5.9
276.12482	2.5
288.12103	2.2
293.10770	2.2
294.13342	5.3
298.18781	7.4
302.16580	3.9
306.13364	3.6
309.17914	1.7
311.11688	2.3
419.20584	4.3
437.21725	10.8
455.23004	7.6
473.17209	3.7
473.30301	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01874	2.7
55.05505	1.9
56.02917	0.5
56.96564	0.7
57.03423	1.3
57.07082	0.6
61.02919	0.6
65.03957	0.9
67.05511	9.4
68.99791	1.1
69.03091	0.8
69.03436	9.8
69.07056	1.3
69.33372	4.8
70.06603	4.3
71.04725	0.5
71.05002	5.2
72.08157	1.9
73.02919	1.4
75.03645	0.6
75.75597	0.6
79.05490	2.2
81.03421	9.8
81.07050	3.8
83.04982	2.4
84.08142	2.1
85.02911	16.3
86.09716	5.6
87.00829	6.1
91.03991	0.7
91.05494	4.9
93.07042	3.5
94.04184	0.8
95.04995	4.3
95.08625	6.0
97.02899	6.3
98.21466	1.1
99.04463	3.4
103.05456	0.8
105.01871	3.5
105.07021	3.0
107.04971	1.2
107.08621	3.2
109.02880	9.2
109.06528	15.9
109.10158	13.2
110.07213	0.6
117.01847	0.7
117.07024	1.2
119.08597	5.0
120.08126	1.3
121.06524	1.4
121.10131	1.3
122.07279	1.8
123.04449	1.2
123.08076	22.5
123.11697	1.2
125.09583	0.8
127.03921	13.0
129.10263	1.3
133.10178	1.3
135.08057	2.1
135.11662	0.8
137.09624	100.0
138.09969	0.7
145.04958	4.1
145.10165	0.7
147.08113	1.2
147.11801	1.3
149.02350	1.8
149.09555	0.7
151.07564	9.0
155.10660	1.4
159.02888	3.2
161.09608	0.6
161.13289	0.9
163.11154	0.6
165.09224	1.1
165.12752	4.4
167.07016	1.4
177.05469	1.6
181.74631	0.6
189.12721	1.7
201.12454	1.4
207.13814	27.5
213.03883	1.1
223.88481	0.6
225.14871	18.6
229.11882	0.9
231.05046	2.3
281.04547	1.2
301.17984	0.9
311.05533	3.0
437.30542	0.8
473.10251	0.9
473.27115	1.9
473.33078	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1977
Annotation	Paleatin A
Peak:m/z	Relative Intensity
55.05512	0.4
56.96564	8.3
64.85484	0.2
67.05462	0.3
69.07040	0.4
71.52148	0.4
71.95257	1.7
72.96041	0.4
74.97625	0.4
76.67531	0.2
79.05486	0.4
81.07054	0.9
84.96016	0.7
86.55959	0.2
88.53729	0.2
91.05473	0.4
93.07044	0.7
95.08623	1.2
97.96819	0.4
98.97623	0.4
102.92629	2.6
105.07013	0.6
107.08586	1.0
109.10149	0.4
110.97564	1.4
112.99113	0.5
115.60495	0.2
117.03378	0.5
118.92086	4.8
119.08569	0.9
121.10139	0.9
123.01199	0.3
128.98607	1.0
131.00107	0.3
131.08557	0.3
133.10141	0.7
134.06277	0.2
135.11659	0.5
136.93117	29.3
137.02788	0.3
143.00217	0.3
145.02838	0.8
145.10178	0.6
146.99631	0.5
149.13235	0.5
154.94170	51.4
159.11671	0.5
161.13274	0.4
163.14786	0.6
171.11876	0.3
172.95242	57.1
177.05518	1.7
177.95767	4.0
180.95845	0.3
185.04921	0.2
187.14775	0.5
189.04387	0.3
189.16367	0.7
190.96288	16.3
191.18086	0.3
192.95721	2.6
192.97046	0.3
194.97273	0.4
195.96832	6.7
198.96840	0.5
199.06439	0.4
205.15886	1.6
207.17450	1.0
210.96796	15.8
212.98366	1.9
213.97861	1.7
214.96317	0.3
218.98480	0.4
221.49226	0.3
228.97858	24.1
230.99434	0.7
233.98378	2.3
239.09567	0.6
246.98921	3.2
251.99515	2.9
270.00854	0.3
281.14499	0.3
317.17856	1.1
319.19437	25.5
320.19797	0.5
335.18866	1.8
337.20505	28.8
338.20895	0.4
355.17303	0.5
355.21603	0.9
357.20663	0.3
360.22107	7.3
375.21829	0.6
381.14890	0.6
399.16006	3.7
401.24496	0.3
409.34503	0.7
413.17487	0.7
417.17038	1.4
427.35736	3.5
440.18808	0.3
455.18683	23.2
456.19330	0.5
473.19781	100.0
474.20270	2.2
491.19919	0.3
496.21365	13.2
497.21786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34158	0.5
55.01872	1.1
55.05505	1.3
57.03440	1.1
59.04991	0.7
60.04541	0.6
61.02925	1.8
62.88125	0.6
69.03439	4.3
69.07075	0.8
69.37545	4.5
70.06599	17.5
71.04995	0.8
71.06968	0.8
72.08157	10.3
73.02921	2.1
74.09702	0.5
81.03400	1.3
83.06113	1.4
84.04510	4.9
84.08156	5.7
85.02915	11.1
86.09704	11.4
87.05582	1.1
87.76369	0.6
88.03988	0.7
91.03970	0.7
91.05510	1.4
95.73424	0.6
97.02883	3.7
98.06036	0.9
98.97585	0.5
99.04465	1.0
100.11263	3.4
101.11624	0.8
102.05556	1.0
109.02859	1.2
110.07169	2.4
112.08670	0.6
112.11221	1.1
115.05410	0.7
115.08759	0.6
116.07129	1.8
117.05766	1.0
117.07028	1.0
118.06554	11.1
119.04960	0.7
119.08602	0.7
120.08113	1.3
123.04441	1.6
124.07590	2.0
127.03962	2.7
129.06976	2.6
129.10231	3.4
130.06534	100.0
131.07266	0.6
132.08115	4.8
133.06105	0.7
136.07570	4.7
137.05974	0.8
141.10216	0.8
143.07338	2.7
143.11783	0.9
144.08093	40.0
145.02844	1.2
145.04958	2.2
145.06381	0.5
146.05983	0.8
147.04420	0.7
147.07655	0.7
151.03903	1.3
152.07021	0.8
154.06520	1.2
155.06117	0.7
156.08119	7.5
160.07526	2.7
163.03947	2.2
170.08159	1.9
172.07581	38.8
174.07635	1.3
174.09155	23.7
177.05493	3.6
182.08109	1.2
190.08641	77.3
191.08853	0.6
200.13950	1.1
202.08685	0.9
211.10809	0.7
213.12358	1.4
227.17578	2.1
228.13481	1.2
228.17883	1.7
229.15553	0.8
229.87019	0.8
231.09592	0.7
241.10847	0.6
245.11388	2.9
246.12265	0.8
246.14552	1.4
261.12424	0.6
272.16071	0.9
273.16379	1.0
275.09058	0.6
293.14984	0.6
327.20203	1.1
374.19269	0.6
392.13364	0.6
455.19150	1.2
473.15652	0.8
473.21707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20684	1.8
55.05502	3.6
55.31076	1.9
56.76056	2.0
56.96579	5.3
67.05503	5.7
69.07062	10.3
69.54132	13.1
79.05506	2.9
80.64388	1.9
81.07046	7.2
83.08635	3.0
86.09710	97.6
93.07043	3.0
94.07368	3.1
95.04937	2.5
95.08599	7.0
98.20739	2.5
98.98520	2.1
105.07014	7.0
107.08604	8.1
108.08900	2.2
109.10188	3.8
110.97531	3.0
119.08634	5.9
120.08950	2.9
121.10172	5.0
133.10078	4.8
135.11708	8.0
136.12053	2.2
136.93103	11.8
136.94017	2.4
145.10115	2.9
147.11723	2.9
154.94173	24.9
158.10400	2.4
163.14847	3.9
172.95230	20.2
173.13304	2.8
175.14830	5.0
176.15211	3.8
177.95905	2.5
186.14897	81.6
188.15187	3.1
189.16429	6.9
190.16768	6.5
190.96291	7.0
195.96875	4.1
199.14781	2.1
205.15761	2.1
210.96822	2.7
214.14388	27.5
217.15869	2.2
228.97844	8.4
235.16942	2.9
267.14148	2.1
271.47116	2.0
272.21094	3.0
306.28030	2.9
314.19565	17.0
317.17999	4.9
318.18277	19.0
336.19373	6.5
359.20917	2.2
398.14859	2.5
399.28546	49.7
426.34741	9.9
427.28079	9.3
440.28363	2.4
454.17545	24.0
472.18613	33.6
472.35001	100.0
474.32559	2.1
495.19971	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	472.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05510	5.7
56.05032	4.0
58.99590	2.4
60.86312	1.2
65.03927	1.6
67.05505	10.2
69.03419	2.4
69.07063	4.2
69.21029	11.2
70.06590	22.5
71.04977	1.9
72.08144	10.1
74.00683	1.6
79.05499	7.6
81.07056	13.8
83.06111	1.4
83.08611	1.8
84.04523	3.2
84.08154	7.9
85.02921	6.3
86.09703	22.6
86.99055	1.3
88.02202	5.2
88.03996	3.2
91.05478	21.1
92.05811	2.0
93.07042	24.3
95.04965	2.8
95.08611	21.2
97.01123	1.6
97.02891	2.6
97.06528	2.4
97.99751	1.2
101.07208	1.4
101.94523	1.4
102.05601	1.3
103.05425	1.6
105.07030	23.8
107.04940	2.0
107.08592	17.9
109.10159	18.9
110.07162	4.3
111.02682	2.0
116.07054	1.8
117.07037	7.6
119.04941	2.7
119.08581	17.1
119.70250	1.1
120.08112	4.2
121.06514	13.6
121.10144	14.5
122.02719	6.7
123.08063	4.6
123.11726	4.6
125.04205	2.1
126.91295	1.2
127.03935	2.0
129.06996	5.6
129.10233	6.4
131.08580	11.1
132.01180	1.5
133.06413	2.1
133.10161	14.6
135.08052	8.6
135.11696	4.9
136.07610	2.5
137.09618	8.9
138.09052	1.6
141.06998	2.4
142.07774	1.7
143.08557	10.6
145.02837	2.8
145.06430	2.1
145.10121	11.5
147.08055	5.0
147.11681	10.7
149.09627	5.7
149.13268	2.9
151.05794	2.6
153.09145	1.4
155.08571	8.6
156.09344	1.8
157.10129	17.6
159.08069	4.0
159.11678	17.1
160.04266	7.2
161.09630	10.1
161.13237	7.2
163.03902	2.6
163.11188	2.7
165.07339	2.9
167.07068	8.6
167.08467	2.8
167.10660	3.3
169.10123	9.7
171.07971	1.6
171.11674	15.4
173.09634	3.3
173.13264	6.1
175.11201	4.4
177.05457	5.6
177.12743	2.7
179.08629	2.3
181.10077	6.1
183.11649	7.6
185.09599	1.8
185.13272	10.1
187.11206	7.8
187.14815	1.5
189.12791	4.9
193.10149	1.9
195.11693	10.9
197.13268	8.1
199.11252	3.8
199.14830	7.5
199.18117	1.7
201.12671	1.9
201.16374	2.1
207.11867	2.4
207.13753	13.3
209.13260	15.4
210.13980	1.8
211.09575	1.9
211.14763	11.3
213.12726	6.7
213.16344	7.2
217.12224	3.5
219.08319	1.4
221.13260	2.6
223.14868	13.4
225.16425	5.5
227.08888	1.5
227.14297	1.9
227.17853	4.8
229.15764	3.1
236.99004	1.5
237.16347	2.5
239.17967	12.0
241.15811	3.7
241.19516	31.1
249.16423	6.0
251.17940	51.6
253.19551	16.5
255.12117	3.1
267.17416	5.6
269.19003	77.4
271.15152	3.6
273.13028	5.7
273.16653	6.6
283.15198	8.3
285.16333	2.5
287.20016	6.5
295.16788	2.4
297.18500	75.6
301.12805	1.8
301.16144	34.1
315.19598	13.8
329.15637	11.2
331.17108	1.6
333.20435	1.6
344.20486	1.9
347.16727	12.6
372.19788	3.4
373.18179	7.9
374.21411	2.1
390.15979	2.3
390.20950	34.2
401.17911	6.9
408.21957	2.8
413.58157	1.4
418.20508	54.6
418.26270	2.6
419.18716	7.5
436.21545	100.0
437.19965	7.1
454.22647	51.9
454.29257	2.4
455.21365	2.2
472.23871	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65429	0.2
52.93521	0.2
55.01872	0.3
55.05518	0.2
55.93305	0.2
62.01606	0.2
63.02400	0.6
69.03435	1.8
69.07043	0.2
70.06596	2.2
70.84242	0.5
71.01348	0.5
72.08157	1.6
73.02932	0.4
75.04491	1.1
78.04729	0.5
79.05496	0.2
81.03429	0.5
83.01351	0.3
83.63371	0.2
84.08150	0.8
85.02898	0.6
86.06071	9.2
86.09711	1.9
87.04475	0.6
89.03922	7.0
91.05473	0.7
91.17529	0.2
93.07047	0.2
95.17014	0.2
97.02894	1.9
100.11240	0.2
101.02387	1.1
103.05508	0.2
104.07101	0.5
106.04195	0.6
110.07146	0.2
111.04510	0.3
113.02372	0.5
115.03928	0.3
117.03384	23.0
120.08122	0.3
124.05223	0.3
125.02383	0.6
127.03943	0.3
129.05473	1.9
129.10245	0.7
130.05019	0.4
134.03633	1.6
135.04405	1.2
137.05994	0.4
143.03381	0.4
144.06493	0.3
145.02850	56.7
146.03181	0.4
147.04443	0.4
149.05983	7.7
152.95313	0.2
156.05679	0.2
157.05019	0.5
161.09216	0.5
162.03209	0.4
163.03873	1.2
166.08759	0.2
167.81648	0.2
175.06007	1.8
177.05473	100.0
178.05812	0.7
186.05495	0.8
187.10727	0.2
187.62479	0.2
193.07076	3.3
217.08536	0.3
260.11273	0.4
260.16052	0.5
262.10764	0.4
278.12366	13.4
284.19812	0.2
294.71591	0.2
296.13422	4.1
351.10892	0.4
357.21408	0.2
386.08344	0.2
436.16141	0.2
442.82037	0.2
454.17105	4.6
472.18414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	Kunzeanone C
Peak:m/z	Relative Intensity
55.05512	4.5
57.07082	1.9
61.06010	1.5
64.09399	1.1
67.05516	5.7
69.07077	5.5
71.52528	1.6
72.08160	2.6
79.05512	4.7
81.07058	17.4
83.04983	8.4
83.08634	4.2
91.05492	5.7
93.07040	9.5
95.04980	1.4
95.08623	14.8
97.06593	2.1
104.49957	1.3
105.07040	19.8
105.41937	1.3
107.08598	16.8
109.06512	1.8
109.10145	10.1
117.07001	2.2
119.08576	14.9
121.10149	14.9
123.08118	2.1
123.11732	5.3
125.09637	1.5
128.51103	1.3
131.08604	4.3
133.06625	1.3
133.10129	11.4
134.98183	7.7
135.08096	2.0
135.11700	10.9
136.35521	1.2
137.13216	1.4
143.08560	1.8
145.10135	5.0
147.11711	9.6
149.09654	9.3
149.13329	3.9
157.10150	3.7
159.11728	14.9
161.09627	1.9
161.13263	23.3
163.14845	2.6
171.11757	2.6
173.13295	4.9
175.11320	1.8
175.14841	33.7
175.16289	2.1
177.16449	6.0
183.11787	2.6
185.13321	3.7
187.14902	3.4
189.12802	6.5
189.16388	9.2
191.17964	7.5
197.13394	2.4
199.14870	2.0
201.12807	2.6
203.14404	5.5
207.17374	6.4
211.14795	1.4
213.16403	1.8
215.14281	1.6
215.17949	1.5
217.16066	1.6
219.13632	1.3
221.15437	5.9
229.19719	2.3
231.17485	3.1
235.16963	14.6
239.18037	2.8
257.19095	5.5
263.16693	2.0
266.01483	1.3
287.46982	1.3
317.21246	5.3
337.27286	2.8
411.32660	13.3
435.32794	2.1
453.33975	5.1
454.34210	1.4
471.25330	8.3
471.34839	100.0
472.35602	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3813
Annotation	Lithocarpolone
Peak:m/z	Relative Intensity
56.40235	0.6
62.36683	0.5
63.02758	0.5
70.82011	1.3
85.29624	0.5
88.16470	0.7
89.84286	0.6
100.15967	0.6
109.02685	0.6
123.28185	0.6
170.37544	0.6
170.43538	0.5
471.38138	100.0
472.38608	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94630	0.3
55.05506	0.9
57.02573	0.3
57.58227	0.3
63.02385	0.7
69.03432	2.3
69.79193	0.3
69.98168	0.4
69.98567	0.7
70.06602	2.5
71.01341	0.4
71.05010	0.4
72.08147	1.5
73.02924	0.5
75.04479	1.0
78.04739	0.6
81.03423	0.9
83.01356	0.6
83.08649	0.4
84.04509	0.5
84.08149	1.1
85.02921	1.0
86.06068	15.1
86.09717	1.7
87.04468	1.1
89.03920	7.7
91.05487	0.9
97.02895	2.4
98.97603	0.5
99.69503	0.3
100.11251	3.4
101.02386	1.4
101.11602	0.6
103.05453	0.5
104.07082	0.7
106.04192	0.5
110.07188	0.5
111.04449	0.7
113.02377	0.3
117.03383	25.7
118.03738	0.3
121.06496	0.5
125.02364	0.5
127.03871	0.3
129.05469	2.0
129.10217	0.7
130.04985	0.3
134.03671	1.9
135.04436	1.6
143.03400	0.7
144.10754	0.3
145.02850	60.7
149.05975	8.4
157.04968	0.5
162.03133	0.3
163.03922	3.6
164.04222	1.5
165.04434	0.8
175.06042	2.4
177.05475	100.0
178.05885	0.7
178.98347	0.3
182.15382	0.6
186.05498	0.8
193.07066	2.9
202.97282	0.3
209.16531	0.5
210.14986	0.8
211.15182	0.3
220.09584	0.7
221.10008	0.6
222.10152	0.5
260.11414	0.6
278.12341	18.2
296.10098	0.3
296.13376	6.7
310.20581	0.3
351.10736	0.5
454.17255	3.5
471.35452	2.5
472.12747	0.5
472.23764	3.6
472.35696	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	471.3449
Annotation	Enoxolone
Peak:m/z	Relative Intensity
62.34227	0.5
67.05488	0.8
69.55793	2.9
70.03684	0.4
72.73645	0.5
76.74455	0.5
81.07050	1.0
83.08648	0.5
83.54278	0.5
95.08587	1.2
107.08601	0.4
109.97520	0.6
119.08581	0.7
121.10135	0.6
133.10143	0.5
133.52454	0.4
346.71597	0.6
430.76224	0.5
453.10342	0.6
453.33505	0.7
471.23547	2.7
471.34491	100.0
472.34732	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Lantic acid
Peak:m/z	Relative Intensity
54.53691	0.4
55.05507	2.5
55.79632	0.4
56.96561	1.8
60.96849	0.4
67.05511	2.3
68.38856	0.4
68.58054	0.4
69.07078	2.1
69.83678	1.0
69.84077	0.8
70.65800	0.4
71.05005	0.5
79.05495	1.6
81.07058	3.9
82.25723	0.4
82.49870	0.4
83.04990	2.0
83.08604	1.0
91.05501	2.3
93.07053	5.1
93.28823	0.4
95.04997	1.2
95.08615	8.6
97.06561	1.2
98.30426	0.4
102.11488	0.3
105.07038	6.2
107.08608	7.7
109.06528	0.9
109.10179	4.0
111.08081	0.9
117.07025	0.8
118.92101	1.0
119.08588	8.9
121.06453	0.4
121.10155	6.1
123.08100	0.6
123.11716	2.5
129.07005	0.5
131.08585	1.4
133.10132	5.6
135.08047	0.8
135.11699	6.1
136.93126	7.8
136.94142	0.5
137.13297	1.2
139.11186	0.7
143.08588	1.5
145.10147	2.4
147.11685	3.3
149.09590	1.0
149.13286	1.7
151.09946	0.4
153.09108	1.0
154.94193	9.6
155.08585	1.0
157.10164	1.4
159.08041	0.6
159.11714	1.7
161.09641	1.8
161.13245	2.3
163.14914	1.1
169.10181	0.7
171.11714	1.2
172.95259	6.4
173.09607	0.6
173.13235	2.8
174.42912	0.4
175.11214	0.6
175.14825	7.6
177.16403	1.1
177.95763	0.7
179.14224	0.5
182.10863	0.6
183.11710	0.9
185.13310	0.8
187.14828	3.0
189.12820	1.6
189.16405	15.2
190.96281	1.0
191.17957	1.8
192.95792	0.7
193.15857	0.5
195.96950	0.4
197.13280	2.6
199.14857	2.8
201.12785	0.7
201.16461	1.4
203.18028	0.6
207.17560	1.2
210.96825	2.7
211.14923	1.0
213.16461	1.8
215.14445	1.8
215.17993	0.7
217.12514	0.4
217.15907	7.0
227.17992	1.5
228.97865	2.9
229.15886	1.2
229.19576	0.8
231.17706	0.5
235.16922	5.6
239.18051	0.6
241.19427	0.4
243.17538	0.6
243.21182	1.1
245.19054	0.8
253.19518	2.4
255.21059	0.7
257.19147	0.9
261.15094	0.6
265.19537	0.5
267.21304	0.7
271.20529	4.5
285.22192	0.8
317.17929	8.8
317.21161	1.3
335.18909	2.7
337.20480	0.5
358.20462	0.6
389.32141	0.6
397.14670	0.6
407.33093	2.0
411.32654	1.2
425.34207	10.0
435.32361	0.6
453.17151	8.2
453.33807	0.9
471.18524	10.9
471.34763	100.0
472.35138	1.9
494.19745	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3111
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
52.38375	0.5
53.03939	1.2
55.01889	1.0
55.05515	13.5
57.03431	1.8
57.07066	1.0
65.03947	1.7
67.05510	4.5
69.03425	1.5
69.07067	7.0
69.34646	4.4
70.06590	1.2
71.04998	0.6
72.08141	0.5
72.74016	0.5
77.31619	0.5
79.05499	15.5
81.07064	8.4
83.04964	1.5
83.08629	1.2
84.08167	0.6
86.09695	1.0
91.05485	13.8
91.66488	0.5
93.07051	8.5
95.04965	1.9
95.08617	8.2
97.06558	1.2
97.10178	9.1
97.56231	0.4
99.08095	0.8
103.05436	0.6
103.15704	0.5
105.07038	11.0
107.04935	0.8
107.08601	75.2
109.06526	3.8
109.10168	9.6
111.08103	1.9
117.07031	2.2
119.04968	0.7
119.06089	1.0
119.08604	4.6
121.06508	1.3
121.10142	2.9
123.04460	0.7
123.08082	4.5
123.11718	4.8
125.09638	39.7
128.06229	0.5
129.07008	1.3
131.08554	4.9
133.06502	0.6
133.10141	6.1
135.08095	1.9
135.11699	8.8
137.05980	1.1
141.07065	0.7
141.09137	1.8
142.07759	0.6
143.08560	4.1
145.10133	6.3
147.08072	2.3
147.11688	2.2
149.09639	1.3
149.13245	1.1
151.11189	28.1
153.12741	9.0
155.08572	1.9
157.06409	0.7
157.10146	2.3
159.08060	1.8
159.11711	2.8
161.09666	2.3
161.13249	1.2
163.11180	1.2
165.06934	0.7
169.10156	1.9
169.12228	3.5
171.08052	2.5
171.11720	2.2
173.09659	5.3
173.13179	3.4
175.11171	1.0
175.14847	1.2
179.08580	1.0
181.10179	2.2
182.10835	0.9
183.08087	0.8
183.11699	2.4
184.12444	0.5
185.09653	1.3
185.13298	1.9
185.79160	0.5
187.11217	2.0
187.14783	0.5
189.09131	1.6
191.14307	6.9
193.10190	1.5
194.10953	0.9
195.08035	0.8
195.11696	2.8
197.09592	2.1
197.13280	2.2
199.11180	1.8
199.14903	0.7
201.12805	1.3
205.10216	1.1
205.12202	0.8
207.11742	1.6
208.12534	0.6
209.09808	0.6
209.13312	2.1
210.10429	0.9
211.11308	1.1
211.14868	1.2
213.12772	2.7
213.16420	0.7
215.14375	0.8
217.15956	0.6
218.71225	0.5
219.11731	0.7
219.13708	0.7
221.13289	1.2
223.11191	2.3
223.14885	1.2
225.12752	3.9
227.14272	1.2
227.17981	0.6
229.12155	0.6
229.15724	0.6
230.60777	0.6
231.13834	1.2
232.12393	0.9
235.14854	1.5
237.16402	2.3
239.14377	2.2
241.12277	0.6
247.14726	1.0
250.13564	1.6
255.17429	1.0
261.18561	0.8
263.14368	0.8
265.15912	4.7
267.17490	0.9
268.14529	0.9
271.16733	0.7
279.21368	0.7
281.15524	0.5
283.16946	16.7
283.19968	0.7
285.18616	1.4
287.16467	0.6
293.18948	0.7
299.16452	3.4
301.17993	100.0
302.18616	4.0
303.19608	5.1
311.16797	0.5
311.19952	3.0
313.17923	1.0
316.02905	0.5
329.21140	4.7
331.22775	1.7
347.22107	3.7
357.20709	0.8
417.27869	1.7
435.28973	6.7
453.23526	0.8
453.29993	13.5
471.31097	55.1
472.31473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3105
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
53.03921	1.4
55.01862	0.7
55.05511	12.4
56.96534	0.7
57.03404	1.8
67.05506	6.7
67.21485	0.8
69.03406	2.4
69.07072	7.0
70.06597	3.8
70.70765	1.6
71.04973	0.8
72.08144	1.5
79.05079	1.0
79.05495	13.6
81.03425	1.0
81.07054	9.7
81.39954	0.7
83.04971	1.4
83.08588	1.3
84.04486	0.8
84.08133	1.5
85.02879	0.8
85.06532	0.9
86.09692	1.9
91.04999	0.9
91.05484	11.3
93.07047	9.8
95.04974	1.5
95.08613	8.9
97.02862	0.8
97.06514	1.2
97.10176	6.9
105.07037	10.0
107.04925	1.0
107.08599	65.5
109.06524	4.7
109.10158	10.1
111.08100	3.2
112.11179	0.8
115.05398	0.9
117.06990	2.6
119.04894	0.8
119.06046	1.1
119.08582	6.5
120.08078	0.8
121.06493	2.3
121.10139	3.2
123.08102	3.3
123.11713	5.3
125.09632	36.4
129.06973	1.3
129.10272	0.8
131.08586	5.8
133.10129	5.6
135.08026	1.8
135.10716	0.8
135.11691	13.4
137.05978	1.5
137.09612	1.6
139.07491	1.6
141.06970	0.8
141.09096	1.7
142.07718	0.9
143.08572	4.4
145.02834	1.1
145.10107	7.0
147.07990	1.7
147.11667	2.9
149.09601	1.7
151.07571	0.8
151.11185	25.5
153.12747	7.8
155.08543	2.1
157.10085	3.2
159.08002	2.8
159.11641	2.5
161.09610	2.7
161.13245	2.4
163.03900	1.3
163.11174	1.8
165.06966	0.9
167.08600	0.8
169.10065	2.6
169.12267	4.0
171.08044	3.2
171.11667	2.4
173.09653	5.6
173.13249	3.2
175.11182	0.8
175.14793	1.1
177.05452	2.2
177.12799	1.1
179.08606	1.1
180.09363	1.3
181.10107	3.3
182.10950	0.9
183.11705	2.4
185.09612	1.2
185.13214	2.2
187.11153	2.3
187.14810	1.3
189.09140	1.8
191.10684	1.5
191.14305	8.3
192.59477	0.8
193.10176	1.8
195.08122	0.8
195.11716	3.0
197.09654	1.5
197.13246	3.0
198.10278	0.7
199.11223	1.9
199.14850	1.1
201.12752	1.4
205.10176	1.7
207.11662	2.2
209.09607	1.0
209.13239	2.0
211.11185	2.0
211.14812	1.9
212.12033	0.7
213.12720	3.5
215.14331	1.7
219.11668	0.8
219.13719	1.1
221.13339	0.9
223.11157	1.7
223.13055	0.9
223.14897	1.4
225.12839	3.2
227.14232	1.2
231.13763	1.3
235.11214	1.3
235.14799	2.6
237.12683	1.2
237.16418	2.2
239.14328	2.5
241.12428	0.7
241.15836	0.7
247.14888	1.2
249.14723	1.4
250.13583	2.0
251.14249	1.1
263.14398	1.0
265.15915	4.6
267.17432	0.7
281.15457	1.5
283.16931	15.9
285.18539	1.5
299.16373	3.3
301.17990	100.0
302.18680	4.3
303.19550	4.7
311.20160	3.4
313.18030	2.0
328.20343	0.7
329.21228	3.7
331.22696	1.5
338.74539	0.7
347.22260	3.5
357.20944	1.0
388.81097	0.6
399.26773	0.8
417.28015	2.0
427.19214	0.9
435.29025	8.7
453.29993	14.0
471.18381	3.1
471.31088	58.5
472.31668	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
57.07078	0.3
65.03935	1.0
66.87943	0.3
67.05505	0.3
69.83721	1.4
70.25975	0.3
73.70605	0.2
74.13403	0.3
76.62831	0.3
81.07082	0.4
88.07657	0.3
89.06026	0.3
91.04908	0.5
91.05486	9.3
95.08611	0.5
118.06566	0.4
119.04947	20.7
119.08548	0.3
146.06036	1.2
147.04416	100.0
148.04814	0.3
156.96425	0.3
176.15186	0.5
190.08640	24.2
208.09697	9.9
214.21684	0.4
246.01736	0.3
283.26498	0.5
306.28049	0.4
313.27426	0.4
358.24371	0.3
383.53287	0.4
393.58734	0.3
452.33008	0.3
470.23291	1.1
470.32126	3.1
470.45563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
56.96568	0.4
57.08257	0.4
67.05493	1.0
69.03443	0.4
69.07034	1.2
70.06582	0.6
71.52067	0.7
79.05485	0.9
81.07039	1.5
91.05474	0.9
93.07021	1.3
95.08583	1.6
103.01524	0.4
105.03390	0.8
105.07011	1.3
107.08568	1.8
109.10136	1.6
111.08041	0.4
119.08596	2.1
121.06471	0.5
121.10108	1.2
131.08548	1.2
133.10115	1.2
135.11668	0.9
145.02768	0.4
145.10063	1.4
147.11725	0.7
149.13196	0.4
153.07014	3.0
159.11664	0.9
161.13240	0.9
165.07025	2.7
165.09113	0.9
172.54190	0.4
173.13245	1.2
174.13614	0.6
175.14861	0.6
177.05516	0.6
181.06517	1.6
185.13148	0.8
187.14798	0.9
191.17972	0.7
193.06389	0.6
209.05991	10.3
221.05969	0.4
237.05438	4.9
252.04173	1.7
265.04968	30.8
267.06451	0.5
280.03693	2.3
295.06021	100.0
296.06360	1.5
399.41949	0.4
407.07504	0.6
425.08746	2.4
453.08109	3.2
470.33356	0.6
471.09235	17.9
471.31140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06581	1.3
67.69415	0.2
69.03420	0.6
70.06255	0.3
70.06595	4.0
70.27284	1.0
72.08158	12.5
75.09225	1.1
78.96456	0.3
79.05473	0.6
84.04487	0.4
84.08138	2.1
85.02908	0.4
86.09687	1.4
89.03915	4.1
91.05478	0.4
95.04947	0.6
98.20885	0.3
99.74876	0.3
103.35535	0.3
107.04964	1.4
108.58176	0.3
110.07153	0.9
112.10563	0.3
112.11252	3.8
116.07055	0.3
117.03381	6.8
119.04932	0.3
120.08102	0.5
121.06525	0.3
129.10231	0.5
129.13892	2.0
135.04413	11.7
145.02852	12.7
146.16515	1.9
147.04393	0.7
155.11769	1.1
162.05510	0.4
163.03903	100.0
164.04189	0.7
172.14465	0.3
175.03889	0.6
177.05493	2.1
183.14864	0.6
192.06532	0.4
209.15430	0.5
210.15778	0.9
219.11290	0.6
220.09694	48.6
221.09984	0.3
229.48174	0.3
232.09752	0.5
234.11253	5.1
237.12312	0.8
251.13731	0.4
260.09055	1.6
290.18689	0.3
291.16995	4.3
308.19681	12.5
309.39563	0.3
315.29492	0.2
320.22101	0.3
344.11060	0.3
392.57516	0.3
452.21732	0.8
453.20126	0.6
456.73801	0.3
470.22888	77.4
471.23062	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01208	0.3
55.05497	0.4
58.06580	1.1
63.02333	0.3
64.58424	0.3
69.03401	0.9
69.07066	0.4
70.06596	7.4
71.04983	0.4
71.52066	0.4
72.08157	13.9
75.09240	1.5
75.09579	0.3
79.05495	0.6
81.07040	0.4
84.04482	0.9
84.08146	3.1
85.02897	0.8
86.06052	0.8
86.09700	3.7
89.03912	4.5
89.10788	0.3
91.05474	0.6
95.04940	0.4
95.08573	0.3
97.02850	0.3
97.06535	0.3
98.06063	0.7
99.08150	0.3
99.68467	0.3
101.07124	0.4
107.04951	1.7
109.06503	0.3
110.07129	0.4
112.10546	0.5
112.11253	5.8
113.07101	0.6
116.07087	0.4
117.03384	7.4
119.04943	0.5
120.08055	0.4
123.04444	0.4
123.08072	0.3
127.03876	0.3
127.08704	0.3
128.07079	0.4
129.10213	1.1
129.13892	2.9
130.05028	0.6
135.04419	13.3
136.07550	0.4
137.05954	0.7
141.09102	0.8
145.02853	13.6
145.03998	0.7
146.16533	2.4
147.04385	0.7
147.07703	0.6
155.11789	1.4
159.10117	0.5
159.74893	0.3
163.03908	100.0
164.04340	0.8
167.07036	0.5
172.14484	0.4
176.07074	0.5
177.05481	0.8
183.14960	1.3
185.04295	0.4
192.06487	0.3
198.12376	0.4
211.14508	0.7
219.11327	0.9
220.09694	47.1
221.10002	0.4
229.15504	0.6
232.07161	0.7
233.07475	0.8
234.11273	5.5
236.93837	0.3
237.12321	0.9
249.69490	0.3
251.13875	0.6
260.09067	0.8
260.15976	0.4
264.89117	0.3
268.09195	0.3
291.17010	4.9
308.09802	0.6
308.19681	12.8
308.23239	0.6
324.22867	0.6
357.21259	0.6
373.36914	0.3
439.15030	0.3
452.21698	0.9
453.20102	0.9
470.17175	7.5
470.22922	79.1
471.23138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
52.89300	0.6
55.05517	2.8
57.07065	1.1
66.87246	0.5
67.05508	4.6
69.06712	0.5
69.07056	2.7
70.08987	0.5
71.52506	0.6
79.05506	3.0
81.07054	5.8
81.38940	0.5
83.04981	2.8
83.08616	1.6
91.05475	2.6
93.07047	5.3
95.04985	0.9
95.08612	16.9
96.60476	0.5
97.04622	0.5
97.06570	0.7
97.10194	0.7
98.14446	0.5
99.08125	0.6
105.07036	8.3
107.08587	7.1
109.06526	0.9
109.10153	4.0
117.03436	0.6
117.07066	0.8
119.08585	11.4
121.06467	1.0
121.10152	7.0
123.08075	1.8
123.11695	1.9
125.09635	0.6
131.08583	3.8
133.10127	7.3
134.98199	3.9
135.08057	1.4
135.11697	3.5
137.09543	0.6
143.08568	2.5
145.10091	4.1
147.11700	4.6
149.09601	1.9
149.13268	2.3
151.11266	0.7
155.08562	1.1
157.10146	3.5
159.11720	2.6
161.09604	1.2
161.13272	2.3
163.11217	1.6
163.14847	1.6
169.10181	1.5
171.11731	2.0
173.13284	4.2
175.11185	1.0
175.14816	6.6
177.12759	1.3
177.16394	1.1
183.11746	2.1
185.13287	1.5
187.11176	1.0
187.14819	5.0
189.12810	1.5
189.16402	14.3
191.14310	1.1
191.17947	0.8
193.15892	0.9
197.13205	2.6
199.14853	3.7
201.12862	0.8
201.16432	1.3
205.15881	2.8
207.17482	1.2
211.14867	1.2
213.16464	1.7
215.14314	3.6
217.15901	7.2
221.15372	0.7
223.14977	0.6
227.17990	1.8
229.15927	1.2
229.19540	0.6
231.17543	0.7
233.15363	3.9
235.17032	1.6
239.18086	0.7
241.06567	0.5
245.19005	0.7
253.19531	2.8
271.20575	3.5
273.18658	0.8
273.41077	0.5
275.16544	0.7
315.23129	0.5
317.21231	1.2
325.77676	0.6
335.26096	0.9
339.22977	0.7
357.24139	1.3
405.31726	3.4
409.31107	1.0
411.29132	0.6
423.32660	13.5
433.31000	0.8
451.32065	6.7
451.37845	0.8
469.23776	5.1
469.33188	100.0
470.33533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.05506	10.0
55.50558	1.4
56.08998	1.2
57.07070	5.3
61.64943	1.4
66.43529	1.3
67.05505	9.4
69.07070	16.5
71.12278	3.1
77.68730	1.3
78.76995	1.4
79.05492	7.3
81.07059	30.7
83.08633	6.5
85.10134	1.4
91.05470	8.2
93.07047	27.1
95.04990	1.5
95.08613	51.1
97.10181	4.3
98.16298	1.3
105.07036	53.2
107.08597	37.1
109.06462	1.3
109.10162	34.6
117.07040	1.4
119.08585	39.5
121.06502	7.5
121.10152	34.4
123.11709	16.6
131.08563	24.9
133.10126	27.1
135.11694	31.2
137.13284	8.3
143.08627	7.0
145.10121	19.4
147.11702	26.0
149.06001	4.1
149.13252	21.1
155.08566	1.8
157.10136	7.0
158.10942	4.1
159.11711	26.7
159.13036	1.6
161.13280	18.8
163.07481	1.8
163.14844	9.8
171.11728	6.8
173.13269	77.3
175.14830	14.9
177.05550	1.9
177.16376	5.1
182.36224	1.4
185.13289	12.6
187.14832	73.7
189.16400	11.0
191.17952	100.0
193.12221	4.4
197.13278	3.2
199.14861	5.1
201.12823	2.1
201.16434	4.5
203.17970	44.5
205.12401	2.7
205.19533	22.9
207.13882	2.5
213.16452	3.0
215.17953	3.6
217.19539	9.0
219.13799	53.8
225.16423	1.8
231.13811	10.2
231.21117	1.6
233.15381	83.2
239.17990	2.9
243.13885	1.8
245.15395	8.1
247.17177	1.9
259.16983	3.8
261.18552	3.3
271.17014	3.2
273.18570	2.8
275.20251	2.1
277.14471	2.7
285.18628	2.2
299.20016	1.8
313.21646	2.1
339.23099	1.4
341.24744	1.9
377.31946	1.9
384.42740	1.5
423.32596	27.5
451.32373	2.8
469.33206	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03954	3.1
55.05517	7.1
57.07080	4.4
67.05512	12.4
69.07072	15.4
70.06580	2.7
70.30404	6.8
79.05508	9.0
81.07067	28.3
83.08627	7.9
91.05488	17.5
93.07053	33.5
95.08612	58.3
97.06551	2.2
97.10181	3.9
103.05459	4.8
105.04522	2.3
105.07038	48.8
107.08593	39.0
109.06455	2.0
109.10162	36.5
117.03390	3.7
117.07034	2.6
119.08587	42.2
121.06523	27.0
121.10156	45.6
122.06839	2.2
123.11721	15.8
130.97588	2.2
131.08578	24.3
133.10146	30.3
135.11684	23.2
137.05977	2.8
137.13246	5.4
141.06955	2.2
141.18689	1.9
143.08582	7.8
144.09291	1.9
145.02859	7.6
145.10141	21.2
147.08092	1.9
147.11685	21.1
149.05934	2.7
149.13281	21.0
151.07568	2.3
157.10135	6.6
158.10930	6.9
159.11700	35.8
161.13283	24.5
163.14845	29.5
164.07106	2.1
171.11746	9.4
173.13275	78.7
175.14828	16.3
177.05545	13.1
177.16411	6.2
185.13310	8.6
187.04128	1.8
187.14832	76.3
187.16475	3.9
189.12749	2.5
189.16432	16.9
191.14316	3.0
191.17966	100.0
193.12189	4.3
197.13293	3.0
199.14865	4.8
201.16429	7.2
203.17972	31.8
205.12228	4.2
205.19551	16.8
207.13844	2.5
213.16287	4.3
215.17978	9.2
217.19475	12.9
219.13811	54.1
231.13843	10.8
233.15384	74.4
245.15343	5.2
247.16965	2.5
259.16922	8.1
261.18500	14.2
275.20135	6.4
300.89511	2.0
377.32043	2.2
423.32779	20.1
451.32092	6.4
469.33386	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.63221	1.4
53.03938	2.6
55.05509	10.2
56.96568	3.8
57.07074	4.4
65.03948	1.9
67.05511	15.2
69.07072	17.7
69.59409	8.4
79.02067	1.2
79.05500	15.6
81.07060	36.9
83.08224	1.3
83.08611	7.3
85.06556	1.4
86.09715	1.9
87.44051	1.6
91.05485	11.7
93.07046	37.7
95.04984	1.4
95.08612	67.3
97.06557	1.6
97.10207	4.4
104.10748	4.5
105.07037	60.1
107.08598	51.3
109.06466	1.5
109.09396	1.6
109.10161	46.8
117.07061	4.2
119.08590	51.3
121.10154	55.9
123.08061	1.3
123.11721	13.4
125.00024	1.5
125.05947	1.4
128.06248	1.4
128.98642	1.7
129.07039	1.9
130.06955	1.3
131.08577	29.6
133.10138	39.8
133.11108	2.5
135.11694	29.9
137.13321	4.3
143.08594	6.1
144.09419	1.8
145.10135	30.4
147.11697	31.3
149.06042	5.1
149.12105	1.2
149.13254	22.0
157.10170	7.4
158.10901	8.5
158.26295	1.3
159.08110	1.9
159.11707	50.3
160.12364	1.9
161.13275	27.4
163.14836	35.4
169.10210	1.4
171.11694	9.7
173.13274	100.0
175.11255	2.0
175.14856	19.3
177.16351	8.1
179.10701	2.1
179.97350	1.2
183.11807	1.8
184.07382	4.6
185.13283	9.2
187.14833	88.8
189.16393	16.5
191.17961	98.7
192.18344	1.7
193.12311	4.1
197.13272	3.0
199.14946	4.4
201.12776	1.8
201.16422	7.7
203.17975	44.4
205.12285	3.3
205.15971	3.0
205.19524	21.6
207.13901	4.2
207.17551	1.8
211.14774	1.6
213.16483	5.3
215.14493	1.8
215.17953	13.9
217.19498	15.3
219.13815	63.2
225.16458	2.0
226.18018	1.8
227.18015	2.3
229.12161	1.5
229.19560	2.1
231.13843	7.0
231.21129	2.1
233.15369	91.2
235.17001	3.0
241.19591	2.2
245.15327	7.4
247.17024	3.2
259.16962	10.1
261.18478	17.4
273.18820	2.5
275.20160	5.2
277.14456	1.9
301.21432	1.7
317.17963	5.3
335.18997	19.0
353.20258	4.0
353.24866	1.7
358.20474	2.5
373.23923	1.9
377.32095	3.2
379.53519	1.3
395.33029	3.0
405.31696	1.9
409.22568	3.0
423.32663	24.3
451.32205	3.9
469.33286	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03949	2.5
55.05516	10.6
57.07066	6.0
58.06113	1.9
67.05509	11.3
69.07073	17.8
71.23615	2.3
78.24115	1.3
79.05492	13.5
81.07062	36.3
83.08630	9.0
91.05493	11.0
92.76149	1.3
93.07053	29.6
95.08616	58.4
97.10168	5.8
102.22704	1.7
105.07038	54.8
107.08597	42.9
109.10162	36.4
111.11754	2.3
119.08590	43.2
121.06490	2.3
121.10161	36.4
123.11701	19.2
131.08575	29.7
131.09529	1.9
133.10141	33.0
135.11699	33.0
137.13255	10.4
143.08533	7.2
144.09392	2.3
145.10135	26.4
147.11700	24.4
149.06009	4.7
149.13266	27.5
157.10156	7.9
158.10890	9.3
159.08040	1.8
159.11702	28.0
159.12900	2.5
161.13286	24.1
163.14883	8.7
171.11719	6.9
173.13268	79.0
175.14862	15.2
177.16417	4.8
179.10750	1.8
183.11815	1.8
185.13264	17.2
187.14832	62.8
189.12791	1.5
189.16418	11.9
191.17961	100.0
193.12283	3.5
197.13312	3.0
199.14830	5.9
201.16409	5.8
203.17970	50.8
205.12286	3.0
205.19524	30.4
205.21414	1.6
207.13837	2.1
211.14763	1.9
213.16444	2.9
215.18007	3.7
217.12227	3.6
217.19539	10.6
219.13817	55.9
225.16446	3.0
227.17992	3.1
231.13803	19.0
231.21049	3.0
233.15376	69.7
239.18069	2.5
241.19534	1.9
243.13837	1.6
245.15468	10.7
259.16998	5.6
261.18414	2.2
271.17047	4.5
273.18628	3.7
275.20233	1.9
277.14478	4.0
285.18698	3.3
287.20230	2.2
291.15958	2.4
339.23102	2.0
377.32056	1.7
385.23752	1.7
423.32620	33.5
451.32434	3.3
469.24393	3.6
469.33243	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03943	2.6
54.58901	1.3
55.01863	1.5
55.05510	15.9
56.05029	1.4
57.07070	4.1
61.02925	1.7
61.66366	1.2
63.34859	1.3
65.03931	1.9
67.05506	17.9
68.99758	1.1
69.03425	4.8
69.07068	20.0
70.06600	6.5
71.05009	1.3
71.23332	2.5
72.08156	4.4
73.02937	1.2
77.03945	1.4
79.05497	15.1
80.44235	1.2
80.99937	1.3
81.03407	6.0
81.07056	45.1
83.04962	2.1
83.08620	11.5
84.04517	3.8
84.08143	8.1
85.02879	6.7
86.09703	8.6
87.00813	1.7
91.05476	14.2
93.07049	38.4
93.07638	1.9
95.04985	4.4
95.08610	70.4
97.02905	3.2
97.06531	2.3
97.10178	7.8
98.75610	1.3
99.08115	1.6
101.00875	1.9
103.05457	1.3
105.07033	60.0
107.04962	1.6
107.08592	50.3
109.02918	2.0
109.06509	3.6
109.10154	44.5
111.08066	1.7
111.11695	2.2
111.45440	1.2
117.07009	4.7
119.01927	2.5
119.08582	55.6
120.08917	1.6
121.06519	3.7
121.10148	43.1
123.08068	5.3
123.11713	19.7
125.09661	1.5
127.03925	4.3
129.07007	2.0
129.10219	2.8
131.04887	1.5
131.08574	28.4
133.10129	36.1
135.11688	34.1
137.06017	2.6
137.09691	1.4
137.13263	8.3
139.07642	1.7
142.07805	1.7
143.01933	8.2
143.08516	6.4
143.11810	4.1
145.05006	1.5
145.06479	1.5
145.10138	25.8
147.11697	31.2
149.05965	4.8
149.09630	2.4
149.13261	25.7
151.11223	4.3
155.08554	1.9
157.10144	8.7
158.10904	6.9
159.08099	2.3
159.11702	34.0
159.13031	1.6
161.02959	10.0
161.13263	24.8
163.14798	12.1
167.10722	3.5
169.10136	2.9
171.07962	1.6
171.11723	10.8
173.13266	82.6
175.04504	1.4
175.14818	16.0
177.05495	1.7
177.12766	1.5
177.16379	5.7
179.10730	1.8
183.11720	1.6
185.03070	1.5
185.13271	17.4
187.00883	2.2
187.14827	66.8
189.12758	2.2
189.16389	13.8
191.10672	1.6
191.17950	100.0
193.12309	5.0
195.11736	1.4
197.13223	4.4
199.14790	7.9
201.12762	2.1
201.16347	10.2
203.04083	5.1
203.17960	59.3
205.12218	3.6
205.15898	2.4
205.19528	28.9
207.13867	3.7
209.13361	2.5
211.00955	1.6
211.14726	1.9
213.12766	2.9
213.16412	4.2
215.14357	1.5
215.17972	2.3
217.12309	2.7
217.19582	10.2
219.13802	58.4
221.15274	1.6
225.16374	2.2
227.17986	4.1
229.01959	3.6
229.19566	1.5
231.13843	16.4
231.21088	1.6
233.15369	73.7
239.17889	2.0
245.15556	7.1
259.16885	2.8
269.22708	2.1
271.16843	2.3
273.18527	2.7
277.14398	2.9
283.86060	1.4
285.18469	2.8
287.20016	1.7
289.04025	2.6
301.18018	11.7
313.21710	2.3
329.20963	2.0
331.04861	1.8
339.22690	1.8
349.06018	8.5
373.23767	2.9
377.32135	3.0
385.23575	2.7
423.32608	33.0
433.27051	1.9
451.28412	4.5
469.22214	2.6
469.33774	48.5
478.52615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3314
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03939	3.7
55.01870	3.8
55.05507	14.1
57.07074	3.2
61.02899	3.3
65.03951	2.7
67.05505	19.9
69.03403	4.3
69.07060	25.1
70.06598	4.2
71.08614	3.7
71.51693	4.5
71.62327	3.0
72.08163	4.0
74.06080	2.8
79.05497	15.2
81.03410	5.3
81.07052	49.7
83.04982	4.4
83.08628	8.4
84.08131	7.1
85.02895	9.1
85.65443	2.4
86.09704	5.1
91.05475	23.8
92.84991	2.6
93.07053	41.7
95.04957	5.7
95.08608	66.5
97.02903	3.0
97.10175	7.0
105.01839	3.4
105.07032	57.0
107.08588	54.3
109.06565	3.6
109.10175	47.1
117.07013	3.7
117.46529	3.0
119.08582	57.0
121.06506	30.5
121.10146	45.7
123.11715	26.0
127.03957	5.7
129.10300	3.3
131.08563	30.5
133.10141	32.1
135.11697	43.1
137.09676	3.3
137.13268	9.8
142.07860	3.1
143.08607	7.0
145.10121	26.7
147.11664	39.3
149.05981	4.3
149.13286	27.9
151.14714	2.7
153.25279	2.8
157.10141	8.0
158.10930	4.4
159.03006	2.8
159.11696	30.6
161.13237	26.2
162.71361	2.8
163.14804	14.5
171.11739	15.3
173.13263	80.0
175.14825	17.5
177.16348	4.0
181.10309	2.8
183.11644	3.9
185.13275	17.5
187.14825	67.5
189.12775	3.3
189.16432	14.6
191.16216	6.2
191.17950	100.0
193.12234	5.8
199.14807	9.3
201.16400	6.6
203.17964	61.2
205.12401	3.8
205.19518	30.2
211.43871	2.8
213.16347	4.0
215.18015	4.1
217.19450	9.0
219.13812	56.6
225.16275	3.5
227.17978	3.3
231.13844	13.3
233.13008	3.2
233.15355	65.7
245.15323	9.8
259.16687	4.0
271.16779	3.7
277.14346	4.1
285.18112	3.9
317.53223	3.0
371.21701	4.8
377.32257	4.8
400.64691	2.7
423.32715	37.1
451.32410	5.5
464.14996	3.1
469.23853	4.2
469.33319	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2956
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
53.03949	1.0
55.01862	0.7
55.05522	4.4
56.52919	0.4
57.03423	0.6
59.04988	0.6
61.60558	0.5
65.03913	0.8
65.35157	0.4
67.05512	14.7
69.03398	0.8
69.07046	1.6
70.06591	0.7
70.56234	1.8
71.04971	1.0
72.08130	0.5
77.43890	0.4
79.05088	0.6
79.05496	9.1
81.03425	5.1
81.07060	26.6
83.04961	1.1
83.08646	2.6
84.08117	0.8
84.65129	0.6
86.09656	0.9
91.04984	0.6
91.05489	7.3
93.07051	10.2
94.70885	0.5
94.87778	0.4
95.04970	4.1
95.08614	33.5
97.06546	3.8
103.05433	1.7
105.07036	13.5
107.08597	7.2
108.05719	0.8
109.06499	1.7
109.10162	2.4
111.08058	2.1
117.03373	0.8
117.06998	1.8
119.04915	1.1
119.08573	3.3
120.08110	0.7
121.06492	2.2
121.10157	10.4
123.07220	0.9
123.08078	15.5
123.11659	1.0
123.83020	0.4
125.05997	1.3
125.09595	1.9
128.06203	1.2
129.07010	1.2
131.08571	6.2
133.10129	6.0
135.08076	0.6
135.11717	0.7
137.05984	0.9
141.06902	0.5
142.07802	0.7
143.08559	3.7
145.02859	1.8
145.10132	5.4
147.08098	1.2
147.11650	1.5
149.09628	7.8
151.11169	1.2
155.08511	1.7
156.09370	0.6
157.10168	2.5
159.08031	1.7
159.11684	2.1
161.09622	1.2
161.13269	0.9
165.07040	0.8
167.08478	1.2
167.10690	21.7
169.06497	0.6
169.10109	2.0
171.08069	3.3
171.11687	1.8
173.09648	3.9
173.13260	1.8
175.11163	0.9
177.05489	2.8
179.08556	1.3
181.10124	2.7
183.11723	2.4
184.12447	0.5
185.09636	1.3
185.13245	1.6
187.11192	1.6
187.14845	0.9
189.09143	1.4
191.10591	1.3
191.18001	1.2
193.10147	2.1
194.07251	0.6
194.11002	0.8
195.08047	0.9
195.11746	2.5
197.09628	2.1
197.13243	2.7
199.11186	1.5
199.14876	1.0
201.12741	0.9
207.11691	1.2
208.12340	0.6
209.09557	0.8
209.13263	2.1
211.11107	1.7
211.14763	1.7
212.11938	0.8
213.12743	2.2
215.14336	0.7
219.11761	0.9
221.09644	0.5
221.13193	0.9
223.11179	1.9
223.14761	1.3
224.12088	0.7
225.12762	3.7
225.16385	0.5
227.14372	0.7
232.12506	0.7
233.09700	0.6
233.13348	0.7
235.11140	1.1
235.14799	1.6
236.12015	0.8
237.12698	1.2
237.16383	3.0
238.13504	0.7
239.14334	2.2
247.14963	0.9
249.16374	0.7
250.13589	1.7
251.14325	0.8
255.17455	0.7
263.14316	1.6
263.17847	0.5
265.15894	3.4
267.17487	1.0
277.19431	0.7
281.15424	1.4
283.16956	11.3
285.18576	1.2
297.18884	0.5
299.16479	4.7
301.18002	100.0
302.18799	4.0
303.19528	3.3
311.20102	1.5
313.18073	2.3
327.19626	0.9
328.20404	0.9
329.21249	2.3
339.19626	0.7
357.20624	2.1
415.26300	2.3
423.28867	0.7
433.27399	3.8
451.28433	11.2
469.29504	47.5
470.30130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2951
Annotation	breynceanothanolic acid
Peak:m/z	Relative Intensity
50.28852	0.9
53.03939	3.3
55.01869	1.7
55.05506	8.8
57.03424	1.9
57.07073	0.9
65.03911	1.2
65.34352	0.9
67.05176	1.4
67.05507	13.8
69.03419	2.6
69.07079	5.3
69.79128	5.3
70.06599	1.8
71.04967	1.6
72.04516	1.1
72.08144	0.8
79.05494	12.2
81.03410	3.2
81.07054	23.8
83.04977	2.9
83.08618	6.0
84.08145	1.1
85.02885	0.9
85.06541	1.2
86.09690	1.4
91.05478	12.6
93.06482	1.6
93.07044	21.5
95.04954	5.7
95.08608	25.3
97.02932	1.0
97.06517	7.0
100.11253	3.8
105.04506	1.0
105.06326	1.2
105.07024	20.9
107.04964	1.6
107.08598	11.9
109.06518	22.7
109.10158	5.3
111.08073	20.6
115.05434	1.7
116.06296	1.0
117.07013	5.6
119.05000	1.8
119.08573	10.6
121.06517	6.9
121.10149	12.8
123.08073	14.9
123.11681	2.8
125.06010	1.0
125.09641	3.3
128.06157	1.5
129.07005	3.8
129.10226	1.1
130.07797	1.2
131.08574	16.8
133.06505	1.9
133.10136	7.8
135.08064	3.7
135.11697	2.9
137.05992	3.8
137.09610	4.9
139.07539	9.2
141.07042	1.9
141.09111	2.0
142.07780	1.7
142.12305	1.0
143.08554	9.7
144.09357	1.1
145.06490	1.5
145.10115	16.9
145.11143	1.3
147.08051	7.5
147.11665	6.3
149.08417	2.0
149.09613	38.0
150.10417	2.5
151.07515	1.0
151.11151	6.5
153.09145	1.5
155.07263	1.1
155.08553	5.1
156.09279	1.4
157.10120	6.5
158.07205	1.1
159.08095	5.0
159.11658	4.7
161.09657	5.5
161.13301	2.2
163.07663	1.2
163.11192	1.9
165.07025	1.2
167.08566	2.3
167.10657	8.6
169.10141	3.9
170.11067	0.9
171.08046	6.6
171.11722	5.2
173.09641	14.7
173.13255	26.8
173.14706	1.7
175.07567	0.9
175.11201	4.7
175.14828	1.3
177.09273	1.1
179.08578	1.4
180.09332	1.0
181.10120	3.8
182.10928	1.2
183.08162	1.2
183.11690	5.3
185.09743	4.3
185.13232	4.5
187.11191	3.2
187.14828	1.6
189.09094	4.4
189.12732	8.5
191.10641	6.5
193.10114	2.2
195.11760	5.2
196.12587	1.3
197.09566	4.1
197.13206	4.2
198.10410	1.2
198.96910	1.0
199.11148	4.8
199.14809	2.2
201.12688	4.9
203.14247	1.4
205.10071	1.0
207.11769	1.4
209.09698	2.0
209.13345	1.9
211.11081	4.5
211.14827	2.2
213.12743	7.1
213.16248	1.2
215.14290	1.5
217.10243	1.7
219.11723	1.9
220.12366	1.0
221.09680	0.9
221.13289	2.8
221.15298	1.5
223.11176	2.9
223.14867	2.7
224.11961	1.2
225.12752	6.2
225.16364	1.7
227.14255	2.1
229.12257	1.7
231.13834	3.6
233.13231	1.1
235.14777	2.2
236.11902	1.3
237.12872	2.7
237.16386	4.0
239.14337	4.0
239.17975	1.4
241.12152	1.4
241.15878	2.8
243.13861	1.1
243.17433	1.0
247.15031	1.8
249.14893	3.3
250.13541	1.5
251.14331	2.7
253.15837	5.3
255.17508	2.6
263.14294	1.7
265.15894	6.3
265.19644	2.0
267.17621	4.5
269.18594	1.6
281.15375	3.4
283.16962	13.9
284.17648	1.6
285.18478	6.4
289.25208	1.1
293.19019	5.1
295.20718	1.3
299.16281	4.6
301.17984	69.7
302.18701	8.1
303.19562	6.7
309.18567	1.9
311.20032	14.8
311.23502	1.3
313.18265	1.5
313.21765	2.7
315.19586	1.1
321.18323	1.3
323.20023	1.4
327.19492	3.5
329.21091	16.6
331.18921	1.8
331.22644	13.4
339.19672	2.5
341.21292	1.7
353.21317	1.6
357.20734	3.6
359.22150	2.5
371.22107	2.6
391.26563	1.0
415.26340	2.4
421.27484	1.7
427.28503	1.8
433.27408	10.9
439.28293	6.0
451.28424	56.8
452.28876	1.2
469.29501	100.0
469.36731	3.6
470.29611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	18.2
55.01861	8.8
55.05515	21.9
57.03446	6.9
57.07068	9.1
59.57276	3.7
61.02906	4.8
67.05508	45.8
67.77500	3.9
69.03441	29.5
69.07063	35.6
70.06579	8.4
71.04984	6.9
73.02872	4.6
79.05502	28.4
81.03432	27.0
81.07063	83.4
83.04982	11.1
83.08626	11.7
84.08131	10.2
85.02913	51.0
85.06557	5.6
86.09714	16.0
87.00851	22.5
91.05490	51.4
93.07050	100.0
95.04972	13.3
95.08604	90.9
97.02913	24.0
97.06544	6.5
97.72253	3.7
98.20684	5.9
99.04459	16.6
103.03911	5.3
103.05518	4.8
105.01860	12.2
105.04523	4.6
105.07043	80.0
107.04958	6.7
107.08598	90.2
107.09309	5.6
109.02895	28.2
109.06525	12.0
109.09470	7.6
109.10165	87.9
111.04445	9.3
111.08085	15.4
117.07042	11.0
119.08591	93.7
121.06493	23.7
121.10153	58.6
123.08057	9.8
123.11691	22.5
125.09619	29.8
127.03867	22.3
129.06976	5.2
129.10258	7.0
131.08569	32.8
133.10143	45.1
135.04407	4.2
135.08047	11.6
135.11694	40.4
137.06021	4.8
137.09616	9.2
137.13297	7.4
139.11191	5.0
143.08566	14.7
145.04985	6.5
145.06418	5.3
145.10120	38.8
147.08060	6.8
147.10524	5.4
147.11697	94.7
149.09645	8.2
149.13268	13.8
150.62975	4.3
151.11298	6.8
153.09108	7.1
155.08553	7.6
156.09341	3.8
157.10130	21.2
159.02922	9.9
159.08054	5.9
159.11763	25.1
161.09595	5.1
161.13290	27.2
163.11208	13.0
163.14760	4.4
165.09186	5.8
165.12755	12.0
169.10101	6.5
171.11662	9.8
173.09673	7.1
173.13283	17.4
175.11200	8.8
175.14883	13.4
177.05441	7.1
177.09149	6.1
177.12723	11.2
177.16493	7.6
183.11723	9.3
185.13301	8.0
187.11157	6.3
187.14830	13.0
189.03973	7.9
189.16470	10.7
191.10713	5.1
191.17973	10.7
195.10048	5.4
195.11713	7.4
199.14809	9.9
201.12793	5.6
201.16406	18.4
203.14253	6.7
203.17970	63.1
211.14772	5.5
213.16396	8.0
215.17967	7.2
217.15945	5.5
218.35695	4.7
219.13905	5.2
219.17464	12.5
221.19119	8.7
225.16338	7.6
227.14403	5.8
227.18033	6.5
233.15218	5.0
233.19008	6.5
239.17899	7.1
243.17448	9.4
245.19069	19.5
245.64857	4.0
246.43100	4.1
257.19000	8.0
261.18497	9.3
269.19067	6.7
287.20023	4.9
293.19052	7.1
311.20090	22.8
329.21008	13.0
347.22189	8.3
415.21136	9.5
423.32449	7.2
433.22269	15.1
451.23016	14.9
469.11438	8.4
469.23706	7.0
469.33621	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	469.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
57.07072	0.8
60.40141	0.4
62.98260	5.4
67.05502	1.0
69.07069	1.0
69.69030	2.9
71.08635	0.5
77.55664	0.5
81.07045	0.9
83.08636	0.9
85.46845	0.4
93.07044	1.1
95.08601	1.2
107.08604	0.7
113.00000	0.8
121.10167	0.5
124.93787	30.2
133.10094	0.5
134.98167	0.8
156.96394	46.4
159.11746	0.6
191.00850	0.6
197.99084	0.6
198.97517	0.5
211.98238	0.5
212.98988	4.3
231.00063	0.5
252.59019	0.5
301.21317	1.0
340.29324	1.2
437.20435	9.6
451.22028	0.6
461.63055	0.6
469.23093	100.0
469.31522	5.5
470.23697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1743
Annotation	Prim-O-Glucosylcimifugin
Peak:m/z	Relative Intensity
55.05507	5.7
64.08820	1.4
67.05500	4.1
69.03437	13.0
69.07064	3.6
69.70900	9.1
70.06601	11.5
71.05000	1.4
72.08160	6.7
79.05498	3.0
81.03409	2.0
81.07058	3.8
83.04980	3.4
83.08620	2.4
84.08141	3.6
85.02900	5.7
85.06551	2.2
86.09715	4.3
91.05453	4.4
93.07042	6.5
95.04961	5.3
95.08083	1.6
95.08604	10.8
97.02885	1.6
97.10162	5.6
99.08110	6.8
103.36234	1.4
105.07023	4.4
107.08590	13.6
108.08154	1.9
109.06481	2.6
109.10152	5.6
110.07204	3.4
111.08085	4.4
113.06032	3.1
119.08580	2.1
120.08115	6.1
121.10149	11.2
123.08045	2.6
123.11659	2.4
125.08784	2.6
125.09644	43.7
127.07542	1.7
128.06064	1.6
129.10204	2.2
131.08604	3.1
133.10143	6.7
135.08044	6.0
135.11679	2.5
136.07593	11.1
137.09618	2.6
139.07491	2.3
147.11723	1.6
149.08420	3.0
149.09631	54.9
149.13266	4.8
151.11163	11.3
153.09077	10.5
154.09805	1.8
163.03995	1.7
163.14841	4.4
164.07071	6.0
165.12746	1.4
167.06987	1.7
173.13257	6.5
177.05469	2.7
183.06612	1.6
185.76230	1.4
191.14314	25.1
207.13779	2.3
209.15381	100.0
210.15778	1.7
221.09901	1.4
227.16388	14.4
243.14908	10.8
271.14453	14.9
289.15475	29.7
330.26297	1.4
383.67615	1.7
469.16531	2.7
469.22025	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01863	1.7
55.05508	0.8
57.03436	2.2
59.04992	0.5
65.98971	0.3
69.03430	9.9
69.34732	2.1
69.35147	0.7
70.06590	0.7
71.01332	0.6
71.04991	5.6
73.02921	0.4
81.03419	23.2
83.04978	3.9
84.08140	0.4
85.02891	2.2
86.09689	0.4
91.05466	0.8
95.57834	0.3
99.04456	11.7
103.03935	1.5
104.15665	0.4
109.02879	9.5
117.05494	2.9
118.06535	2.0
127.03912	2.8
145.02850	0.6
145.07617	4.0
147.04427	0.4
147.09164	7.4
151.93007	0.4
155.41487	0.3
159.09135	0.4
161.07082	0.4
162.07843	0.8
163.08662	1.2
173.07101	8.8
175.08672	10.4
177.05389	0.8
182.15439	0.5
190.07394	0.9
191.08151	100.0
198.15062	0.4
199.08673	1.1
201.10350	0.4
203.08122	0.9
204.08981	0.7
210.14830	0.7
213.10178	0.8
215.08406	0.4
215.11664	0.4
221.04408	0.4
226.14467	0.4
231.11267	1.0
233.09233	0.8
243.11404	0.9
243.89133	0.3
252.54118	0.4
271.10806	1.7
289.11795	7.9
307.12881	36.8
325.13925	34.3
326.14322	0.6
331.12875	7.9
349.13937	8.6
371.16068	2.4
372.49731	0.4
389.17053	4.3
391.14844	0.4
397.13943	5.0
407.18066	0.8
415.14975	12.4
433.16064	14.2
451.17130	14.0
452.30875	0.5
469.24634	1.0
469.33792	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47864	0.2
53.03956	1.7
55.01878	2.2
55.05503	0.8
56.96567	0.3
57.03432	1.2
57.07035	0.3
59.04980	0.5
61.02930	0.3
67.05497	0.5
69.03436	10.1
69.49492	1.7
70.06583	1.3
71.04607	0.3
71.04998	6.6
72.08152	0.5
73.02914	0.6
81.03422	9.0
81.07065	0.4
83.04991	1.9
83.08595	0.4
84.08150	0.6
85.02907	1.1
86.09698	0.6
87.04459	0.3
87.64985	0.3
91.05491	0.7
93.07040	0.5
93.39471	0.3
95.04995	0.4
95.08605	0.4
99.04458	5.3
99.08098	0.4
103.84303	0.3
105.07048	0.4
107.08607	0.6
109.02892	2.8
109.10152	0.5
116.04993	0.3
117.05459	1.7
118.06544	3.0
119.08559	0.3
120.08098	0.8
121.10159	0.7
125.09631	0.4
127.03928	0.8
129.10233	0.5
133.10147	0.6
135.11803	0.4
137.09573	0.3
140.04669	0.5
145.02853	0.5
145.07614	4.3
147.09163	3.5
149.09612	0.6
149.13255	0.4
155.07033	0.3
161.02922	0.8
162.07932	0.5
163.08707	0.9
167.14265	0.6
169.12146	0.5
173.07121	8.4
173.13338	0.4
175.08676	4.4
177.05498	1.2
181.04958	0.3
184.09689	0.3
187.56375	0.3
191.08163	100.0
192.08485	1.0
203.08051	0.4
205.09775	0.5
209.15401	4.0
213.10266	0.5
225.07629	0.4
225.10025	0.3
227.16449	1.0
230.04686	0.3
233.09351	0.7
234.03783	0.4
243.08766	0.4
271.10858	0.6
289.11841	4.6
307.12897	67.1
308.13245	0.5
308.70966	0.3
325.13962	16.8
333.08392	0.4
389.17142	0.5
397.13736	1.0
407.18097	2.1
409.16055	1.3
415.15070	1.3
423.82523	0.3
433.16025	6.0
451.17331	1.1
469.21637	0.4
469.29654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1734
Annotation	Prim-O-Glucosylcimifugin
Peak:m/z	Relative Intensity
53.03952	4.6
55.01870	2.4
55.05516	5.4
56.05032	0.9
57.03428	2.7
57.07055	1.1
61.02929	1.1
61.21936	0.8
64.65566	0.8
65.03924	1.9
67.05498	3.7
67.17342	0.9
69.03431	6.7
69.07076	4.0
69.19922	0.8
69.61918	4.2
70.06597	7.8
71.04980	2.3
72.08162	5.8
73.02893	1.6
75.15676	1.0
79.05485	2.6
81.03413	3.7
81.07059	4.8
83.01356	5.0
83.04978	4.3
83.08623	1.7
84.04496	1.8
84.08145	3.2
85.02431	1.2
85.02910	12.8
85.06538	2.8
86.09740	4.7
91.03977	1.0
91.05483	4.8
93.07053	6.1
93.67986	0.8
95.01104	0.9
95.04970	26.2
95.08628	6.7
97.02891	3.8
97.06539	4.2
97.10174	0.9
98.09680	1.0
99.04463	4.5
99.07496	1.2
99.08101	15.5
100.11205	0.9
101.06019	3.5
102.61158	0.8
103.05480	0.8
105.03401	1.5
105.04517	1.6
105.07019	5.4
107.05004	1.4
107.08598	12.4
109.02874	2.9
109.06532	3.7
109.10165	5.5
110.07172	2.8
111.08108	3.8
112.62659	0.8
113.02116	2.0
116.07070	1.3
117.03395	2.2
119.04981	1.4
119.08588	2.7
120.08101	9.7
120.16668	0.9
121.06510	1.5
121.10151	15.0
122.07278	1.1
123.04436	36.0
123.08084	1.8
123.11723	1.0
124.07622	0.8
125.06007	1.2
125.09637	6.1
127.03915	5.0
129.10283	2.6
130.06560	2.6
131.08530	2.3
132.04506	1.0
133.02859	1.6
133.06499	1.8
133.10153	12.7
135.04442	1.7
135.08066	3.7
135.11699	4.3
136.07599	1.3
137.06001	3.4
137.09607	5.9
137.13272	3.3
139.07547	3.9
139.11177	2.8
140.04707	10.4
145.02866	2.7
145.04999	2.1
145.10118	1.7
147.04453	1.3
147.11708	1.4
149.05992	1.9
149.09619	17.6
149.13304	4.6
151.03944	1.8
151.11209	6.4
153.05444	1.0
153.09120	3.4
155.07048	18.6
156.39940	0.9
157.07608	1.2
158.06027	0.8
162.05536	0.9
163.03908	8.5
163.14865	6.0
164.04295	1.1
164.07109	1.4
165.05467	2.7
165.12735	2.4
167.07082	7.9
173.13283	6.7
175.08710	1.4
177.05478	5.2
179.07098	1.0
180.07787	2.0
181.05005	11.1
181.15901	2.6
182.05554	1.0
183.06546	42.8
185.04301	3.1
191.08260	2.7
191.14336	15.3
193.04973	1.9
195.06578	2.4
207.06659	1.5
208.07388	2.8
209.08131	2.9
209.15381	100.0
217.04655	1.2
220.09702	1.6
225.07600	10.4
226.08281	2.6
227.09132	1.0
227.16434	18.7
232.07025	6.7
243.08595	1.5
275.09076	0.9
296.74362	0.9
307.12704	1.6
307.15741	0.9
333.12326	1.2
451.32837	1.6
469.16891	56.0
469.34103	2.4
470.22842	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96515	18.0
56.96815	1.4
58.88996	0.4
59.25552	0.3
59.31604	0.3
63.16459	0.3
67.05452	0.7
70.70402	0.7
71.95264	2.5
72.32695	0.4
72.95983	1.6
81.07021	0.7
84.96001	0.7
85.02863	0.5
93.07007	0.6
95.08526	0.7
97.96771	0.6
105.00036	0.5
105.06968	1.2
107.08558	1.0
110.05591	0.4
110.97523	1.5
115.00675	0.4
119.08542	1.3
121.10045	0.5
123.01148	0.9
128.98576	0.6
135.11624	0.8
137.02693	0.7
137.36989	0.4
141.01840	0.7
151.00517	0.5
151.04211	0.8
155.03752	0.7
157.10020	0.3
159.11662	0.6
169.05244	0.6
179.07439	0.8
195.07108	0.4
197.08423	0.5
217.15732	0.5
219.36075	0.4
223.09991	4.4
229.07494	0.6
235.09999	6.0
238.56818	0.4
241.11102	42.7
253.11110	75.6
254.11502	0.8
259.12177	33.3
264.12793	3.0
271.12161	100.0
272.12466	0.6
276.12653	2.3
282.13773	1.2
289.13214	3.0
294.13776	11.1
294.16934	0.8
295.13965	0.4
302.11176	0.9
366.19623	0.4
467.26929	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	468.309
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05507	0.7
56.05036	1.1
57.03438	0.6
57.07081	3.6
58.06573	1.8
59.07390	0.4
60.08165	16.3
60.82613	0.3
67.05498	1.1
69.07062	0.7
70.24117	1.3
71.07379	5.0
71.08629	2.0
71.13754	0.3
72.26512	0.3
75.50193	0.4
81.07072	1.1
83.08624	0.7
85.10188	1.3
86.09710	49.1
95.08617	1.6
98.62947	0.3
98.98467	2.9
104.10748	100.0
107.08617	0.4
109.10149	0.7
125.00011	27.3
163.01614	0.8
163.06912	0.3
184.07346	95.3
258.11066	1.0
279.22977	0.3
285.24307	2.5
299.95831	0.4
358.16785	0.5
450.29816	8.4
468.30890	38.7
469.31155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1685
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
56.05033	0.7
56.31448	0.3
59.91273	0.3
67.05493	1.1
69.03427	0.5
69.86777	0.4
69.87060	1.8
70.06596	3.0
71.05000	0.4
72.08159	2.1
79.05482	0.4
83.01095	1.2
84.01866	0.5
84.04514	3.2
84.08138	1.5
85.02901	0.7
85.06544	1.0
85.90211	0.3
86.06077	0.4
86.09711	5.9
88.03986	0.4
91.05472	0.6
93.07050	0.4
95.01091	2.2
95.04997	0.6
95.08594	2.2
96.01871	0.9
103.84070	0.3
105.07046	0.4
107.02377	0.4
107.08595	0.8
108.81954	0.4
109.02853	0.4
110.07168	1.1
111.45529	0.3
112.01321	1.0
112.08673	0.4
112.11242	0.5
113.02122	3.0
117.03360	0.5
119.08593	0.9
120.08094	1.8
121.10142	0.5
123.04441	0.7
123.08094	0.7
127.03796	0.4
129.10249	1.0
132.10220	1.0
133.10162	0.5
135.04430	0.9
136.07597	0.7
145.02832	0.8
149.09605	1.0
157.04750	0.7
163.03912	5.8
164.07082	0.5
167.03165	0.9
177.05431	0.8
183.06522	0.7
185.04205	5.2
187.14487	0.4
189.12871	0.6
197.12851	1.1
201.03751	1.4
203.05289	0.8
204.07713	1.0
207.13861	1.1
209.15414	0.9
217.04771	1.7
220.09666	2.7
232.07082	17.5
233.07773	0.4
243.08397	0.6
243.13345	2.5
259.07901	2.6
275.08865	2.3
289.11990	0.6
289.15323	0.5
308.19778	0.5
438.14975	2.6
439.15891	0.7
469.16830	100.0
470.17102	1.4
470.22986	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.4
55.01869	10.3
55.05519	15.3
56.05036	4.8
56.96572	3.9
57.03430	11.1
61.02926	8.8
61.42355	3.2
65.03974	5.0
67.05503	32.2
68.99786	5.7
69.03431	38.4
69.07059	19.1
69.33906	22.0
70.06593	23.1
71.04994	12.1
72.08155	8.1
73.02893	6.2
79.05498	39.1
81.03416	51.4
81.07059	100.0
83.04994	10.9
83.08630	5.5
84.08154	7.5
85.02906	54.5
85.06537	5.2
86.09712	16.4
87.00838	31.0
90.78792	3.5
91.05479	47.3
93.07047	69.4
95.04986	15.1
95.08609	47.4
97.02887	23.6
97.06537	6.6
97.10181	3.2
98.21532	6.6
99.04452	16.0
101.06036	3.2
103.03954	5.9
103.05503	8.0
105.01861	13.2
105.07034	79.8
107.04965	8.7
107.08596	59.8
109.02891	34.5
109.06530	24.7
109.10168	33.8
111.04464	7.2
111.08089	8.1
115.03947	7.1
117.07027	21.7
119.04956	3.3
119.08590	65.3
120.08115	17.9
121.06515	17.3
121.08530	4.1
121.10157	43.0
123.04443	9.0
123.08085	13.1
123.11699	3.8
125.05998	6.0
125.09686	4.2
127.03913	32.2
128.06223	6.7
129.01816	8.7
129.07004	14.0
129.10229	3.7
130.07814	8.2
131.08595	38.3
133.06529	6.7
133.10135	74.2
135.08049	15.3
135.11694	12.9
135.87421	3.6
137.06001	9.9
137.09625	10.9
139.07645	3.6
142.07773	3.9
143.08533	21.3
144.09335	8.6
145.02806	4.7
145.04976	10.7
145.10133	84.5
147.02916	4.3
147.08061	9.2
147.11705	15.9
149.05983	10.1
149.09639	12.7
149.13272	3.5
151.07545	10.3
151.11147	5.3
155.08511	5.6
156.09331	4.4
157.10110	27.4
159.02888	14.6
159.08057	5.8
159.11699	78.2
161.09634	10.8
161.12057	4.1
161.13254	23.9
163.11191	29.5
167.07114	5.6
169.10141	11.1
170.10880	3.3
171.08035	4.8
171.11678	11.0
173.09676	4.5
173.13350	22.4
175.11191	10.7
175.14847	5.8
177.05452	7.4
177.09108	4.0
181.10197	5.2
183.11734	6.0
185.08015	3.7
185.09595	4.1
185.13251	14.4
187.11253	4.4
187.14838	14.9
189.03973	6.0
189.09062	5.9
191.10684	3.5
191.18048	4.8
195.11659	6.9
197.06123	3.5
197.13235	6.1
199.14842	11.5
201.12688	3.6
201.16422	70.3
203.14365	8.7
205.15892	4.7
211.14796	8.1
213.12761	4.1
213.16425	7.6
217.15892	8.8
219.17392	23.7
223.14746	6.4
225.12750	3.8
225.16441	5.3
229.15791	4.9
230.07286	4.0
231.05045	6.4
231.17421	6.9
241.15822	6.7
243.17487	7.0
251.12195	3.8
255.17577	3.7
267.17395	7.1
285.18527	4.8
289.09274	4.1
301.11359	3.4
301.86038	3.9
309.18549	12.4
311.11124	3.6
312.41483	3.4
327.19659	6.7
381.22473	5.2
413.19391	6.0
431.20578	6.1
449.21783	15.7
449.27100	4.1
467.16675	5.6
467.22473	25.8
467.28113	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	467.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.7
54.35170	2.8
55.01861	12.0
55.05515	17.6
55.51962	3.0
57.03425	10.9
57.07064	4.2
61.02926	6.6
65.03931	4.0
67.05173	4.6
67.05509	46.7
68.99783	7.0
69.03088	4.1
69.03429	50.3
69.07076	28.0
70.02971	2.9
70.06604	18.5
70.09715	14.0
71.01357	3.6
71.04987	7.8
72.08143	7.5
73.02905	12.2
79.05499	38.3
81.03419	34.0
81.07053	79.8
83.04966	10.4
83.08605	7.1
84.04499	5.5
84.08118	9.2
85.02441	4.9
85.02908	61.0
85.06529	6.0
86.09694	16.6
87.00848	26.7
87.04445	3.4
87.77528	2.9
91.05476	49.5
92.62187	3.0
93.06480	6.3
93.07043	77.5
95.04963	39.1
95.08611	52.1
97.02902	26.6
97.03997	4.1
97.06532	30.8
98.97572	5.0
99.04453	6.4
103.03922	10.4
105.01856	13.0
105.07034	100.0
107.04940	8.9
107.08588	51.8
109.02866	13.5
109.06518	20.1
109.10170	41.0
111.04427	9.5
111.08065	6.2
112.75726	3.8
115.03889	9.7
115.05408	3.9
117.03410	4.6
117.07037	20.2
119.04937	6.2
119.08587	66.0
120.08182	17.1
120.08909	4.8
121.06490	18.8
121.10133	37.7
123.04426	10.2
123.08049	12.6
123.11696	11.4
125.05965	8.0
125.09649	7.2
126.09071	4.4
127.03940	22.6
128.06184	6.5
129.01816	8.2
129.06967	14.7
129.10258	4.8
130.07793	10.0
131.04903	3.8
131.08586	39.1
132.08069	9.2
133.06509	6.8
133.10135	56.7
135.04480	4.1
135.08069	12.6
135.11679	15.0
136.07538	4.5
137.02377	3.4
137.05972	10.2
137.09616	21.9
139.07552	3.6
141.07016	5.1
142.07732	9.1
143.04524	9.2
143.08557	31.1
144.09306	5.9
145.02835	4.8
145.04942	6.6
145.06433	5.7
145.10127	85.6
147.04463	5.1
147.08041	14.5
147.11690	22.3
149.05923	6.1
149.09621	13.0
149.13254	5.0
151.07571	8.1
151.11156	12.1
155.08548	10.2
156.09340	5.3
157.06352	3.4
157.10095	33.5
158.08401	6.5
159.02873	9.9
159.08011	5.8
159.09232	5.2
159.11694	63.4
161.06020	4.2
161.09676	19.9
161.13254	13.5
163.11197	17.0
165.09123	4.3
165.12799	4.2
167.07137	4.1
167.08568	4.4
169.07626	3.5
169.10135	13.9
171.08034	5.5
171.11684	13.8
173.09624	11.0
173.13240	18.8
175.07538	6.7
175.11168	13.0
175.14815	11.3
177.05443	6.0
177.08968	3.5
177.12721	4.9
179.10735	3.5
181.04964	3.7
181.10025	4.9
183.08093	3.5
183.11679	7.0
185.09604	12.7
185.13164	7.7
187.08723	3.9
187.11229	10.7
187.14758	5.3
189.03976	6.6
189.12779	5.5
189.16373	4.3
191.17957	4.6
193.10083	5.9
195.11662	6.1
197.13222	7.0
199.11238	4.8
199.14812	15.2
201.16389	69.2
203.10616	9.4
203.14325	8.0
205.12218	4.4
209.13190	4.1
211.14772	13.7
213.12704	8.7
213.16458	7.3
215.14252	4.9
215.17998	4.4
217.12262	3.5
217.15823	7.9
219.17421	13.5
221.11664	4.4
225.12802	4.1
225.16429	4.9
231.13852	7.0
231.17345	4.7
237.09033	3.3
243.17422	5.7
255.17419	3.8
259.13339	6.1
274.11902	8.0
285.18774	7.3
291.17239	5.8
295.15390	6.9
302.11298	3.5
303.05066	10.3
303.19580	5.0
304.05203	10.5
305.05566	28.2
307.11899	6.4
309.18576	5.5
327.19537	3.8
345.21005	3.8
363.14273	7.2
431.20392	11.8
449.21710	11.9
467.22540	25.6
467.27795	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	466.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.4
56.96553	0.9
57.06833	0.5
57.07077	4.8
57.18330	0.4
58.06578	1.1
60.04507	0.5
65.03933	1.4
66.98681	0.4
69.07040	0.5
69.78072	0.8
69.78463	1.1
70.06599	13.9
71.08640	2.3
74.06062	0.4
74.18708	0.4
84.08129	0.3
84.96032	0.4
85.10165	0.9
88.07632	16.2
91.05394	0.4
93.07005	0.4
96.04616	0.4
98.97574	0.8
102.09184	11.8
103.19850	0.5
105.06976	0.4
105.17817	0.4
121.02863	0.9
132.10181	0.7
145.08878	0.4
149.02354	43.2
149.03438	2.7
193.04973	49.0
212.23677	0.6
237.07584	48.7
238.07843	0.6
256.26364	38.5
300.28970	2.4
301.10648	1.0
392.99707	0.4
444.69986	0.4
466.31662	100.0
467.32013	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.0
57.07080	45.0
58.18695	5.2
67.05519	29.4
69.07075	48.0
69.39491	9.9
69.39898	22.8
71.08636	26.7
79.05486	11.7
81.07068	47.1
83.08634	36.3
85.10185	18.9
87.04467	15.4
91.05479	20.5
93.07066	30.7
95.04973	59.7
95.08619	55.4
97.10191	25.1
105.07040	61.9
107.08607	40.7
109.10179	24.1
111.11732	13.0
119.08598	52.5
121.10165	14.5
123.11743	10.7
131.08574	28.4
133.10143	30.0
135.11690	11.3
137.09637	10.9
139.07550	27.9
143.08636	4.6
145.10121	19.1
146.49655	5.1
147.11705	56.0
149.09650	21.8
149.13222	5.6
159.11703	19.8
161.13321	8.1
173.13278	11.7
187.14870	15.6
200.07318	4.3
205.15952	9.8
231.07047	5.4
236.22820	5.4
333.35159	7.1
343.33603	66.1
383.36819	26.4
401.37790	100.0
419.11758	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	467.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
56.83386	1.0
57.07067	3.4
60.04523	1.0
65.03921	1.4
67.05507	20.9
69.03408	4.2
69.07059	1.7
70.06588	5.2
71.04983	1.3
71.51265	1.0
72.08147	4.7
77.01172	1.3
79.05483	2.8
81.03446	1.5
81.07037	3.7
83.04958	1.2
84.04483	2.0
84.08129	4.2
85.02892	3.0
85.06545	12.5
86.06073	2.3
86.09719	5.4
90.96125	1.1
91.05468	3.5
93.07034	9.2
95.04970	2.6
95.08610	100.0
97.02872	1.5
99.63653	1.5
105.07044	7.1
107.08610	9.6
109.06511	2.4
109.10130	2.1
113.05999	11.9
119.08584	18.9
120.08086	6.2
121.06515	2.8
121.10147	7.1
123.08069	32.5
123.11754	1.7
123.69195	1.1
129.10234	2.0
131.08540	2.3
133.10097	2.9
135.11696	18.9
136.07552	1.9
137.05965	1.4
137.09608	2.8
141.04764	1.2
143.92288	1.1
145.10184	1.6
147.08032	1.6
147.11696	7.6
149.09621	31.9
151.07602	1.2
151.14809	3.0
161.13277	14.7
163.11203	6.5
164.87387	1.2
165.09132	1.5
165.12738	8.5
167.07033	1.4
171.11662	2.4
174.10391	1.3
177.05402	1.5
177.26407	1.1
179.14313	4.1
189.12735	18.7
207.13814	50.9
208.13997	1.1
305.11853	1.3
305.14963	1.5
396.04871	1.2
467.15436	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
54.54797	0.7
55.01870	2.8
55.05505	3.4
57.03428	3.3
61.02916	3.2
67.05506	18.4
68.99799	0.9
69.03429	17.8
69.07061	4.1
70.06576	1.3
71.04993	3.8
71.52140	1.0
71.52605	0.9
73.02923	3.5
79.05482	8.1
81.03418	11.5
81.07055	35.3
83.04984	1.6
83.08618	2.0
85.02907	51.3
86.09713	0.9
86.88586	1.0
87.00307	1.6
87.00826	23.7
88.29929	0.7
91.03948	1.0
91.05473	9.7
93.07046	7.9
95.04958	1.6
95.08601	7.4
97.02890	18.8
97.06512	1.7
97.50327	0.8
99.04451	7.6
103.05457	1.8
105.01866	42.7
105.07029	10.5
106.03659	0.8
107.04980	1.0
107.08583	4.1
109.02882	15.8
109.06499	1.3
109.10171	2.0
111.04398	1.2
119.08580	8.8
120.31306	0.8
121.06508	8.5
121.10139	12.2
123.04448	0.8
123.08042	1.1
123.11708	43.7
127.03915	42.2
129.01825	1.9
131.08662	1.0
133.10100	1.5
134.10413	0.8
135.11697	1.5
136.07562	1.7
137.05972	8.4
137.13263	1.9
142.36826	0.9
145.04959	22.5
145.10112	1.9
146.10391	1.0
147.02904	1.6
147.11690	20.5
148.11963	1.1
149.13196	1.4
152.06226	2.3
153.06960	5.2
155.08536	0.8
159.02870	6.3
159.11673	1.1
161.13287	2.0
164.07135	1.2
165.12744	16.0
167.07079	1.7
168.05811	1.0
170.07281	1.0
172.73837	0.9
173.13252	1.4
175.14825	1.1
177.05486	1.5
177.12738	1.1
180.05704	1.7
181.06508	11.1
181.12239	2.3
182.07253	1.3
182.12637	1.1
183.08005	1.7
183.13887	6.7
185.13266	0.8
186.35214	0.8
187.14804	1.2
189.03961	0.9
191.17990	1.0
196.05231	1.4
197.05962	1.4
198.06810	4.7
208.05186	0.8
209.06020	4.7
210.06712	1.2
211.07539	2.3
213.03954	2.9
213.09126	2.7
215.03911	1.0
215.07101	1.0
226.06256	7.7
227.07048	1.2
231.04985	16.2
235.03705	0.9
237.05449	1.4
239.07040	2.3
240.07794	1.6
241.08572	10.8
241.30060	0.8
243.06468	1.9
243.10263	1.4
249.06038	8.3
254.05733	4.2
255.06569	1.7
258.08807	2.1
269.05267	1.6
269.08087	21.7
270.08841	2.4
271.06061	5.5
271.09567	4.1
273.11157	2.9
273.14801	1.7
286.08432	5.5
288.09845	3.9
291.15906	1.5
297.07669	1.0
299.08948	1.5
301.10693	100.0
303.12317	2.0
304.05548	1.1
329.10172	23.2
395.17075	1.2
422.15842	1.2
438.34256	1.8
466.18671	20.8
466.33777	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.36180	0.3
55.01853	0.3
55.05480	0.3
57.03392	0.4
59.09058	0.2
67.05468	0.9
69.03406	0.5
69.07035	0.7
70.06561	0.3
71.52234	0.4
73.26041	0.2
78.04663	0.3
79.05447	0.9
81.07056	1.4
83.08574	0.3
85.02889	0.3
91.05485	2.8
93.07046	2.2
95.04925	0.7
95.08555	1.2
97.06438	0.3
99.04429	0.3
103.05431	1.2
105.06982	1.2
107.08538	0.7
109.10079	1.0
110.07116	0.4
119.04871	1.0
119.08545	0.4
120.08070	0.3
121.05688	0.5
121.06505	6.7
121.08955	0.2
121.10100	0.4
122.03603	0.6
122.47077	0.2
123.04421	0.4
123.11655	0.4
131.04919	0.4
131.08536	0.6
133.10059	0.7
135.75865	0.3
136.07556	1.3
137.05977	6.7
143.08472	0.4
145.10074	0.7
147.04395	0.6
147.11656	0.9
148.12071	0.6
149.05986	0.7
152.06213	1.9
153.05746	0.5
153.06987	5.4
159.11633	0.5
160.12018	0.5
161.13232	0.7
162.13536	0.4
163.14740	0.3
164.07033	0.8
165.06985	1.0
167.07062	1.4
169.06500	0.8
170.07260	1.0
173.13232	0.6
174.13564	0.6
175.07500	0.3
175.14830	0.4
179.07080	0.3
180.05676	2.0
181.06482	10.0
182.07231	1.2
183.04420	0.4
183.08046	0.9
185.05894	0.4
185.09679	0.3
185.13184	0.3
187.07561	0.5
187.14769	0.8
188.15034	0.5
189.16345	0.4
191.04906	0.3
195.08018	0.5
196.05174	0.6
197.06001	1.7
198.06752	4.7
199.07523	0.6
203.17867	0.6
204.18216	0.4
208.05151	1.2
209.05969	5.1
210.06715	0.7
211.03818	0.8
211.07527	2.4
212.04614	0.5
212.08272	0.5
213.09103	4.5
215.07039	0.4
215.10603	0.3
218.10631	0.3
220.15865	0.4
223.03975	0.5
223.07529	0.5
224.04616	0.4
225.05478	0.8
226.06252	6.2
227.06998	2.2
237.05394	1.8
239.03384	0.5
239.06946	1.6
240.07796	1.1
241.08601	10.5
243.06540	2.4
243.10159	0.8
246.33517	0.3
253.04912	0.4
254.05750	3.3
255.06526	1.9
256.03592	0.3
258.08862	1.8
268.07181	0.6
269.08087	19.0
270.08923	1.9
271.06015	7.0
271.09613	2.8
273.11212	3.7
286.08386	4.9
288.09943	4.0
297.07578	1.6
299.09109	0.8
301.10703	100.0
302.10995	0.9
303.12299	2.0
329.10193	24.8
330.10400	0.4
358.88724	0.3
378.32520	0.5
406.31866	0.8
438.34497	0.8
456.99704	0.3
466.18661	21.2
466.34070	1.9
467.18912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37676	0.9
55.05511	5.6
56.05040	2.5
57.03443	2.7
60.04514	3.1
61.02912	1.3
69.03420	4.8
69.48526	3.7
69.48930	2.7
70.02942	1.3
70.06208	1.7
70.06599	32.4
71.04995	2.6
72.08165	11.8
74.06072	2.8
79.05470	1.2
81.03416	2.6
81.07058	7.5
82.06577	2.4
83.08620	3.6
84.04510	10.0
84.07693	1.8
84.08151	16.4
85.02915	13.6
85.06528	2.0
86.09712	11.5
87.04488	1.5
87.05604	2.6
88.04020	2.6
89.42638	1.3
91.05482	2.7
97.02943	6.3
98.06058	2.8
98.09711	2.9
98.97601	2.0
99.04457	1.4
100.07623	3.5
101.07156	1.4
102.05531	4.1
104.05349	1.3
108.08134	3.8
109.02904	1.5
109.06540	6.3
110.06063	1.1
110.07170	3.6
112.11263	2.3
113.07122	1.2
115.08704	1.8
116.07093	3.1
119.04977	2.5
120.08119	13.4
124.07630	1.1
126.05512	1.9
126.09162	31.9
127.03914	3.2
127.04996	1.6
127.07569	8.7
127.08445	1.6
129.10254	6.1
130.05008	1.0
130.06561	1.7
132.10234	1.8
133.05032	1.3
133.06102	1.6
135.04437	2.2
136.07564	6.8
137.05980	8.1
140.10751	1.9
141.06612	2.4
145.02890	1.5
145.05023	1.6
147.04428	2.1
149.06020	1.5
153.05577	1.4
154.08644	100.0
155.07043	14.6
155.08971	1.3
156.07677	1.3
161.05978	1.4
163.03937	8.5
166.08653	3.4
168.10172	4.0
169.06163	1.3
172.09700	73.3
177.05566	2.3
187.07388	1.4
188.07101	1.3
196.09801	1.4
213.12331	4.8
216.11420	2.0
219.01773	1.4
220.09645	1.4
223.10657	1.4
237.00705	3.8
237.02840	2.0
240.08954	1.4
244.09421	1.6
253.09503	2.1
264.64493	1.3
269.09140	1.7
286.12906	4.7
297.08124	1.4
303.04953	2.5
304.05237	6.6
304.11917	1.5
316.13907	6.9
334.14981	14.4
363.16861	2.3
381.17551	1.2
415.63266	1.1
448.19232	1.3
466.15591	7.0
466.21060	9.6
467.15372	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
60.04519	0.8
69.03434	1.7
70.06588	2.5
70.70012	1.0
71.05004	1.7
71.29663	1.3
71.29983	1.1
72.08139	2.6
73.02918	1.4
84.04489	1.1
84.08160	1.4
84.22430	1.0
85.02917	4.6
86.06038	0.9
91.05486	1.0
91.43670	0.9
97.02882	3.3
98.06052	3.5
99.04462	1.3
104.39928	0.9
107.82723	1.0
116.07110	2.1
118.08639	3.5
120.08097	1.9
123.04437	2.6
127.03946	1.2
127.80412	0.9
136.07617	1.5
137.05992	4.7
140.06938	1.2
143.01886	1.6
145.03487	1.1
152.05788	1.0
152.07101	1.7
156.04239	1.5
157.03441	1.3
161.02884	1.2
164.06995	1.1
173.02957	1.1
185.02893	1.2
236.11420	0.9
245.05133	1.8
255.06992	1.3
303.15491	1.9
304.05771	1.3
304.15897	4.6
339.09174	1.8
357.10388	1.9
466.10031	22.1
466.14600	100.0
466.21204	5.6
467.15421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.93124	0.1
55.01867	0.2
55.05495	0.1
55.47564	0.1
56.05041	0.8
57.72297	0.1
58.06594	0.1
60.04515	0.2
61.01158	0.5
62.45884	0.1
65.03930	0.3
67.10048	0.1
68.99785	0.7
69.03416	0.4
69.07064	0.2
70.06595	1.6
71.51563	0.1
72.08159	1.1
73.02915	0.1
74.06082	1.1
79.02814	0.1
80.97870	0.1
81.03421	0.3
81.07004	0.1
84.04504	0.5
84.08145	0.6
85.02917	0.6
86.09703	0.8
87.05597	0.2
87.09994	0.1
88.03975	0.1
91.03883	0.1
93.03397	0.4
95.04962	0.4
97.02878	0.2
99.04482	0.1
101.07169	0.1
102.05511	0.2
104.05331	1.4
107.04930	0.2
109.02869	0.6
109.20908	0.1
110.03596	0.1
110.07152	0.3
111.00809	1.1
111.75947	0.1
116.07090	0.3
118.08632	0.2
119.04961	0.2
120.08133	0.5
120.95966	0.1
121.02877	1.3
123.04417	0.4
126.05511	0.3
127.03899	0.3
129.10233	0.5
130.10542	0.1
131.04950	0.2
133.06113	0.3
135.04408	0.2
136.07555	0.1
137.02348	3.5
137.03406	0.3
137.05997	0.3
143.08162	0.1
144.06570	0.2
145.06442	0.2
149.02312	0.4
153.01830	4.8
153.06595	0.1
155.04919	0.3
161.05980	0.4
163.03934	1.0
165.01843	2.2
166.02643	0.4
171.02950	0.1
173.06009	0.6
174.05794	0.1
177.01807	0.1
177.05505	0.2
179.03372	0.2
183.02904	1.1
183.04465	0.3
183.11317	0.1
184.88188	0.1
187.03882	0.4
189.08876	0.1
191.03432	0.2
195.02904	0.3
201.03773	0.2
201.05478	2.3
201.07123	0.3
201.12346	0.6
205.04985	0.3
207.02873	0.1
211.03932	0.2
213.05460	0.3
215.03551	0.2
217.04987	0.1
217.08217	0.2
219.02895	0.2
219.06499	0.4
219.13359	0.7
228.04175	0.2
229.04971	5.1
233.04279	0.1
237.00630	0.1
239.03439	0.1
244.66873	0.1
247.05968	0.6
247.07851	0.3
257.04459	3.0
264.10464	0.2
265.10391	0.1
274.04681	1.0
275.05475	0.2
285.03995	1.4
303.04993	100.0
304.05310	0.8
316.14996	0.2
348.12149	0.2
447.19162	0.2
465.10095	1.3
465.19672	0.2
466.10611	0.3
472.30698	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	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.48691	0.1
53.03942	0.4
55.01876	0.5
55.05501	0.3
56.05029	0.1
57.03436	1.7
59.05009	0.1
61.01152	0.1
61.02930	2.1
65.03938	0.2
67.05499	0.3
68.99796	0.7
69.03432	6.6
69.07045	0.2
70.06593	4.5
71.01357	0.4
71.04996	0.8
71.06926	0.5
72.08142	0.4
72.08492	0.1
73.02923	1.4
74.42834	0.1
75.23261	0.1
79.05508	0.2
81.03420	2.4
81.07056	0.5
83.01350	0.2
84.04494	0.2
84.08140	0.5
85.02906	16.7
86.09704	0.8
87.04464	1.4
91.03947	0.7
91.05490	0.3
93.03422	0.6
93.07054	0.4
95.04955	0.3
95.08620	0.3
97.02896	4.1
98.97646	0.1
99.04454	1.2
101.02395	0.4
101.07148	0.2
103.03947	0.7
105.07028	0.3
107.04984	0.2
107.08598	0.3
109.02876	2.2
109.06525	0.2
109.10147	0.2
110.07110	0.3
111.00806	1.2
111.04453	0.2
113.06152	0.1
113.07172	0.1
115.03929	0.4
117.03368	0.1
118.06882	1.1
119.08572	0.2
120.08089	0.6
121.02865	1.5
121.06488	0.2
121.10129	0.2
123.04421	0.3
127.02969	0.2
127.03915	4.3
129.10207	0.2
130.06477	0.2
131.04961	0.2
131.08530	0.1
133.10104	0.2
135.04437	0.2
137.02335	3.8
137.03339	0.2
137.05075	0.1
137.05927	0.7
143.50630	0.1
145.02896	0.3
145.04959	2.5
145.06287	0.2
145.06494	0.2
149.02351	0.6
153.01826	5.3
155.04895	0.2
157.06458	0.2
159.04411	0.1
159.09218	0.3
161.05995	0.5
163.03880	0.8
165.01834	2.2
166.02657	0.3
167.07069	0.1
173.06006	0.6
177.05484	0.7
183.02892	1.0
183.04446	0.4
187.03938	0.3
191.03430	0.1
195.02904	0.3
201.05486	2.3
205.04919	0.3
207.02899	0.1
213.05557	0.2
215.03409	0.2
217.05037	0.3
219.03052	0.3
219.06613	0.2
221.06181	0.1
228.04216	0.4
229.04988	5.3
232.03586	0.1
239.03441	0.2
245.04568	0.3
246.05086	0.2
247.05951	0.7
257.04468	3.4
258.05276	0.1
269.04434	0.2
273.03845	0.3
274.04776	1.0
274.12210	0.4
275.05472	0.3
285.03986	1.9
286.04630	0.2
287.05670	0.1
301.03342	0.4
302.04224	1.2
303.04987	100.0
304.05313	0.6
313.03351	0.2
314.66577	0.3
315.16922	0.6
315.67007	0.3
327.04880	0.7
331.04358	0.2
345.06003	1.7
357.06104	0.4
369.05887	0.1
417.12335	0.1
447.09323	0.3
465.10284	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	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05502	0.2
56.05001	0.2
57.03415	0.6
61.02928	6.3
68.99788	0.5
69.03418	1.0
69.31156	1.6
70.06603	2.0
72.08168	1.0
72.08488	0.2
73.02909	1.7
81.03405	0.7
84.04489	0.8
84.08118	0.8
85.02903	5.7
86.09710	1.7
91.03957	3.9
93.03410	0.3
95.04953	0.4
97.02899	3.6
98.06068	0.2
98.20764	0.4
99.04413	0.3
102.05540	0.3
102.09344	0.2
107.04922	0.2
107.08591	0.2
109.02865	0.9
109.47832	0.2
110.07141	0.3
111.00804	1.0
115.03918	0.3
120.08118	1.8
121.02882	1.1
123.04482	0.4
127.03924	1.0
129.10225	0.3
130.06537	0.3
135.04292	0.2
136.07564	0.4
137.02339	3.3
137.05949	0.7
145.02812	0.4
145.04951	0.7
145.06425	0.4
149.02274	0.5
153.01825	4.5
155.04904	0.3
159.04315	0.2
163.03897	0.8
165.01822	2.2
166.02643	0.2
173.06004	0.6
177.05447	0.6
183.02887	0.9
183.04312	0.3
187.03873	0.4
195.02855	0.2
201.05461	2.0
209.09671	0.2
215.13873	0.3
219.06535	0.5
223.10791	0.4
228.04089	0.2
229.04984	4.5
247.06003	0.7
257.04449	3.1
270.25183	0.2
274.04678	0.9
274.07129	0.2
275.05472	0.2
285.04007	1.1
303.04984	100.0
304.05316	0.7
340.34003	0.2
355.64575	0.2
465.20856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01866	0.5
55.05505	0.2
56.05047	0.8
56.05284	0.2
57.03436	1.1
57.71799	0.2
60.04530	0.4
61.01141	0.2
61.02932	6.8
61.36548	0.2
65.03933	0.3
67.05501	0.3
68.99797	0.5
69.03432	3.1
69.07066	0.4
70.03754	0.4
70.06597	3.7
71.04984	0.5
71.51825	0.3
72.08159	2.0
73.02917	1.7
79.05492	0.4
79.24151	0.2
81.03420	1.1
81.07054	0.5
83.04998	0.2
83.06110	0.2
84.04499	1.3
84.08150	1.5
85.02911	7.7
85.08472	0.2
86.03218	0.2
86.09708	4.7
87.04466	1.3
87.05596	0.2
88.03991	0.4
88.04788	0.2
89.03910	0.3
90.96658	0.2
91.03957	3.7
91.05495	1.0
93.03410	0.4
93.07042	0.8
95.04968	0.7
95.08617	0.4
97.02900	4.5
98.03243	0.4
99.04446	0.5
101.07148	0.2
102.05541	0.4
103.05454	0.7
104.05341	0.3
104.68289	0.2
105.07027	0.7
107.04972	0.2
107.08592	0.2
109.02883	1.0
109.06520	0.2
110.07199	0.8
111.00794	0.9
111.04414	0.3
113.02336	0.4
113.31284	0.2
115.03932	1.8
115.05434	0.3
115.08702	0.3
116.04261	0.4
116.07078	0.3
117.03383	0.2
117.07000	0.2
119.04944	0.3
119.08607	0.3
120.08113	4.0
121.02885	0.9
121.06509	4.0
122.06059	0.3
123.04425	0.5
123.11696	0.2
127.03933	1.4
129.10217	1.0
130.04962	0.2
130.06560	0.7
131.04890	0.4
131.08601	0.2
133.04984	1.3
133.06444	0.2
133.10139	0.2
134.05283	0.4
135.04422	0.4
135.08064	3.2
136.07561	0.6
136.08463	1.2
137.02347	3.9
137.05988	3.1
137.06976	0.3
138.05489	0.2
138.09152	0.8
139.60493	0.2
143.04889	0.3
143.11771	0.2
144.08102	0.3
145.02882	1.0
145.04919	1.0
146.03194	0.2
146.06081	0.5
147.04388	0.4
147.07956	0.2
148.07547	0.4
149.02319	0.5
149.05971	0.6
151.03993	0.2
152.07033	0.6
153.01831	4.0
155.04964	0.4
157.10258	0.2
157.13358	0.5
159.09235	0.6
161.06065	0.8
161.07175	0.2
161.33043	0.2
162.05515	0.3
163.03902	1.3
163.06161	0.2
164.07123	1.2
165.01855	2.3
166.02635	0.4
167.08191	0.5
170.06032	0.3
171.11610	0.2
173.05991	0.6
175.07404	0.2
176.07008	0.5
177.01796	0.2
177.05518	1.8
177.06924	0.3
177.09097	0.4
178.05934	0.3
178.09453	0.3
179.03412	0.3
179.05991	0.2
181.08684	0.2
183.02878	0.8
183.04401	0.3
185.09322	0.4
185.12906	0.3
185.16559	0.2
187.03934	0.3
187.08743	0.2
188.07129	0.7
189.05542	0.2
194.07274	0.2
195.02910	0.3
201.05472	2.1
203.10544	0.2
205.04800	0.2
205.06578	1.5
205.09715	0.6
211.07715	0.2
213.05530	0.2
215.13997	0.2
219.06528	0.2
222.07013	0.3
223.07603	0.9
228.04201	0.2
229.04962	4.3
232.07593	0.3
233.06061	0.7
233.09579	0.3
234.06714	0.2
235.10889	0.3
237.09167	0.5
239.07118	0.3
243.13391	0.2
247.06126	0.9
249.07881	0.3
250.06270	1.6
250.08691	0.8
251.07062	2.4
252.07848	0.3
253.08543	0.2
257.04453	3.3
261.05707	0.2
261.09030	0.3
263.10291	0.2
265.08630	1.4
266.08109	0.3
267.06403	0.2
268.09732	0.4
271.09521	0.3
274.04614	0.9
277.11877	0.2
278.05585	1.5
278.08224	1.1
279.06500	0.7
280.07083	0.2
281.11353	0.3
283.09714	0.8
285.03918	1.2
293.05014	0.3
293.08090	3.8
295.08502	0.5
296.06964	0.3
299.09003	0.9
300.12485	1.2
300.15509	0.3
302.04034	0.2
303.04999	100.0
304.05338	1.2
310.10730	1.7
311.09174	2.5
315.04956	0.7
328.11816	8.2
341.06525	0.2
344.14023	0.2
345.06085	0.4
369.06049	0.4
448.17654	0.9
465.13663	1.1
465.20209	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	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44260	0.5
53.03946	0.6
55.01888	0.8
55.05520	0.6
56.05029	0.8
57.03442	11.9
59.04993	1.9
60.04520	1.6
61.02924	2.3
69.03435	45.0
69.66951	1.8
69.67364	1.6
70.06600	4.5
72.08159	2.9
73.02904	1.1
75.04480	1.0
77.33295	0.5
78.93084	0.5
79.05495	2.9
79.63380	0.6
81.03436	2.7
83.04925	0.7
83.06100	0.7
84.04514	1.5
84.08150	2.4
85.02911	36.3
86.09712	4.9
87.04476	30.0
91.03931	1.3
91.05492	2.1
93.07043	0.9
95.04996	1.4
97.02900	39.2
98.06044	0.6
98.21445	1.1
99.04469	1.4
103.05485	1.8
105.07034	8.8
107.04993	0.6
109.02900	1.7
110.07163	0.7
111.04524	0.8
115.03941	47.5
116.07095	1.0
117.03368	1.1
117.07039	1.9
119.04977	0.6
119.08591	1.4
120.05751	1.2
120.08096	2.2
121.06514	0.8
123.04466	0.7
127.03933	5.9
129.10185	0.7
131.04889	0.6
133.04977	51.2
135.08064	100.0
136.08423	1.0
137.06012	1.7
139.03946	1.2
144.05704	0.7
145.02837	2.8
145.04965	6.1
146.03127	1.0
147.08006	1.8
149.06027	1.4
149.09648	4.2
150.07613	10.4
152.00485	0.6
153.09125	2.3
157.13254	0.6
159.08005	0.9
159.09224	0.8
161.45555	0.6
163.06010	1.3
165.09102	4.1
166.08589	0.6
169.04939	1.3
173.09619	1.8
177.05536	5.0
177.09111	21.4
178.05867	3.2
181.08551	3.5
185.09566	0.8
186.08798	0.7
187.06052	0.7
193.04980	0.6
195.10204	7.4
201.09082	4.0
203.10701	0.9
213.09062	0.7
219.10184	8.6
223.06114	0.6
229.07272	0.8
231.10133	3.3
235.33115	0.5
239.03825	0.6
241.07161	1.8
243.10339	1.0
249.11218	4.1
259.08115	3.0
261.11224	2.0
267.12411	2.0
277.09137	1.8
279.12296	0.8
288.05753	0.7
295.10324	2.2
303.04907	7.3
315.14172	0.8
328.11862	0.9
343.13919	1.4
384.22174	0.7
393.07822	0.7
464.13083	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	464.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01841	0.4
55.05517	2.1
56.05019	0.4
61.37085	0.4
67.05465	1.5
69.03411	0.9
69.07038	1.4
69.07391	0.3
69.76313	0.9
69.76705	0.6
70.06564	0.5
70.20797	0.3
71.04967	0.6
72.08116	0.3
76.42115	0.4
79.05453	1.3
81.07071	3.3
83.08582	1.1
84.04497	0.7
85.02888	0.5
86.09640	0.4
91.05484	2.4
92.05774	0.4
93.07050	2.9
94.07343	0.8
95.08605	2.1
96.08923	0.6
97.02892	0.4
97.10152	0.6
98.20835	0.5
99.08025	0.6
103.05465	0.7
105.07040	2.4
106.07319	1.0
107.04948	0.6
107.08607	2.0
107.52888	0.3
108.08893	0.6
109.10126	1.4
109.73833	0.4
110.10498	0.4
111.08099	0.5
115.05459	0.6
117.07009	0.7
118.06565	0.4
119.04915	0.7
119.08539	1.4
120.08904	0.9
121.06525	2.2
121.10121	1.2
122.10456	0.4
123.04404	1.3
123.11665	0.9
127.03911	0.4
129.06961	1.2
131.04881	0.8
131.08527	0.5
133.02786	0.9
133.06505	0.5
133.10100	1.2
134.03255	0.4
134.10478	0.6
135.04408	0.4
135.11652	0.5
137.06030	3.2
138.05403	0.5
143.04846	0.4
143.08525	0.6
145.02818	0.4
145.06450	1.2
145.10078	0.5
147.11647	1.2
148.05128	0.6
148.12027	0.6
149.05974	3.4
149.09624	0.3
151.07492	0.3
151.11069	0.5
152.07135	0.6
157.06464	1.3
159.11610	0.4
160.05241	0.4
160.07547	0.5
161.06003	3.6
161.13216	0.5
162.05511	1.9
163.07524	0.9
163.14769	1.2
164.05704	0.7
164.07080	13.0
164.15117	1.4
165.05441	0.4
171.08144	0.4
173.05968	2.3
175.06270	0.3
175.07585	2.6
175.14659	0.5
176.07039	1.4
177.05371	1.2
177.07867	31.0
178.08614	2.2
180.13907	0.4
187.07510	1.2
189.09106	1.4
190.08607	1.3
199.07518	0.6
201.09074	0.4
203.17885	0.9
204.18312	2.3
213.08908	0.3
248.16495	20.0
256.16876	0.6
257.15485	0.4
274.17999	7.0
284.16180	0.4
286.18475	0.4
294.08344	0.4
299.09332	0.4
301.10663	0.4
302.17517	8.7
320.18582	100.0
321.18912	1.1
327.08395	0.8
334.21448	0.4
343.63873	0.3
376.04608	0.4
411.25558	0.4
428.28232	0.4
435.50742	0.3
437.34427	0.4
446.29059	2.2
464.30139	72.4
464.87656	0.4
465.30603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87570	0.8
53.03933	0.9
54.58224	0.8
55.01873	1.0
56.05024	0.9
57.03440	11.4
59.04997	2.4
60.04508	1.7
60.66402	0.8
61.02923	1.8
67.05515	1.5
67.37894	0.9
69.03431	43.6
69.07053	1.2
69.34299	3.2
69.34727	3.5
70.06595	11.3
71.06914	0.8
72.08160	6.2
73.02925	1.2
75.04485	0.9
75.77689	0.9
79.05489	3.6
81.03391	2.0
81.07061	1.2
83.04964	1.1
83.06150	0.8
84.04515	4.5
84.08144	5.3
85.02908	36.7
86.09706	11.8
87.04471	31.0
88.16049	0.9
91.03956	0.9
91.05455	2.9
95.04961	1.1
96.60378	0.7
97.02896	37.4
97.03529	1.9
99.04445	1.1
101.02362	1.2
102.05536	0.8
103.03941	1.0
103.05463	2.6
105.07015	9.4
107.08605	1.9
109.02854	1.2
110.07165	2.6
111.04416	1.1
115.03936	50.3
116.07068	1.0
117.03394	1.4
117.07000	1.0
118.03642	0.9
119.04932	1.3
119.08590	1.6
120.05709	1.2
120.08075	6.5
121.06498	1.5
123.04484	1.2
127.03906	6.3
129.10229	3.0
131.08592	1.0
133.04968	58.8
133.10135	0.8
134.78362	0.8
135.08058	100.0
136.07538	2.1
136.08475	1.0
137.05966	2.2
145.02841	4.3
145.04968	7.2
146.03166	1.5
147.07980	1.3
149.05946	1.5
149.09602	3.5
150.07613	10.9
151.03938	1.8
153.09094	3.1
159.07976	1.4
159.09212	1.1
163.03914	1.3
163.06009	2.3
165.09145	4.2
166.08687	1.3
166.17105	0.7
173.09625	1.9
177.05487	8.4
177.09088	18.6
178.05881	4.2
181.08582	5.5
185.09641	0.9
188.06958	0.9
189.09152	1.3
195.10161	7.4
199.89047	0.9
201.09142	3.6
216.43524	0.8
219.10167	9.5
231.10214	3.5
235.01326	0.8
241.07204	1.4
243.10411	0.9
249.11145	5.7
259.08118	4.9
259.33002	0.8
261.11252	1.9
263.10437	0.9
267.12402	3.0
277.09207	2.3
280.12509	1.0
293.08191	0.8
295.10172	2.5
303.04996	14.3
413.96887	0.8
463.78967	0.8
464.13019	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	463.3782
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.43637	1.8
55.05509	15.2
57.07079	38.6
67.05505	8.5
69.07070	26.5
69.50739	10.7
69.51147	3.9
71.08637	27.4
76.13770	2.1
79.05508	5.6
81.07060	23.1
83.08632	18.0
85.10189	16.0
87.84928	2.0
90.48080	1.9
91.05487	4.0
93.07050	6.8
95.08619	16.0
97.06511	2.8
97.10184	14.8
98.20750	2.9
99.04475	4.6
105.07052	7.6
107.04930	3.1
107.08606	6.8
109.06532	16.5
109.10184	9.2
111.11745	5.0
119.08578	6.7
121.10183	4.4
123.08060	11.4
125.05994	15.5
125.09635	3.3
127.07558	43.0
131.08540	2.6
135.08061	4.1
135.11797	3.1
137.06050	5.2
137.09554	4.0
139.07547	100.0
147.11728	3.7
149.06026	6.0
149.09648	4.5
151.07605	10.3
161.13191	2.8
163.07555	4.2
165.09154	2.4
167.07074	6.3
174.10347	2.4
175.11264	2.9
175.14818	2.3
177.09113	14.2
189.12904	3.7
195.10294	3.1
207.13812	2.1
235.17117	2.1
301.29022	5.3
319.30051	10.5
347.33112	11.5
355.30447	2.4
373.31158	3.5
389.37799	3.1
399.36389	3.9
403.35291	4.1
417.37289	21.0
427.35754	3.6
445.36795	73.5
446.37463	2.4
458.98691	2.1
463.37924	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05515	56.1
57.06828	6.9
57.07082	67.2
59.95791	5.4
67.05508	29.8
69.07070	100.0
69.28101	51.5
70.15990	5.6
71.08633	47.5
79.05481	18.7
81.07051	44.6
82.30925	5.5
83.08141	8.1
83.08614	65.0
85.10168	17.7
87.29680	4.9
89.06026	6.7
91.05482	26.8
93.07048	37.7
95.08601	48.0
97.10178	45.3
100.86336	4.7
105.07018	43.4
107.08601	63.0
109.06521	28.0
109.10153	30.2
111.08070	11.1
111.11712	24.0
118.54599	6.0
119.08583	45.8
121.10146	26.1
123.08061	20.3
123.11716	12.6
125.13260	12.1
129.07060	6.5
131.08548	13.4
133.10121	34.2
135.08058	44.7
135.11678	17.6
137.09590	10.6
143.08511	6.1
145.10121	17.7
147.08058	10.4
147.11687	28.5
149.09627	15.3
149.13278	10.8
151.07567	25.9
157.10178	12.1
159.11656	18.5
160.08917	5.6
161.09622	8.3
161.13258	38.2
163.07462	5.5
163.11145	7.3
163.14767	7.9
167.10503	5.5
171.11667	8.3
173.13235	11.4
175.07501	8.5
175.11218	11.9
175.14825	13.3
177.09076	7.4
177.12782	11.4
181.08627	29.7
185.13216	7.9
187.14690	7.0
189.12700	18.9
191.08780	6.1
191.17868	6.6
193.08572	6.8
199.14874	7.3
203.14272	11.1
205.12259	6.8
231.13744	8.4
235.13408	8.7
245.15379	7.9
249.14899	12.2
263.16379	7.7
273.22253	5.5
277.17978	8.0
280.29486	5.1
291.19626	12.3
305.21048	8.2
319.22684	9.9
333.24219	8.3
343.26447	6.4
347.25668	9.0
350.76453	6.0
357.35150	38.6
361.27328	10.3
375.28732	8.4
375.35986	10.9
378.38708	5.0
385.34607	15.3
389.30255	11.3
399.36145	29.4
417.37234	24.1
427.35690	38.3
445.36816	94.0
463.36862	6.4
472.38339	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.50483	1.0
53.03924	1.0
55.05518	11.5
57.07083	30.9
57.27649	0.9
58.48439	0.9
64.74916	1.0
67.05512	6.1
69.03448	1.0
69.07076	25.3
71.08653	21.8
77.82400	0.9
79.05495	4.9
81.03387	1.1
81.07057	17.0
83.08632	15.0
85.10191	15.0
91.05475	4.9
93.07040	7.1
95.08621	15.1
97.02917	2.1
97.06560	2.8
97.10176	10.7
99.04459	4.6
105.07024	7.2
107.04883	1.6
107.08601	4.6
109.06525	14.5
109.10175	7.5
111.08072	3.2
111.11736	6.6
119.08591	4.7
121.10153	4.7
123.08087	10.3
123.11703	3.3
125.06009	14.9
125.09616	1.3
125.13206	1.5
126.09240	1.0
127.07564	42.3
133.10146	3.2
135.08034	3.4
135.11711	1.7
137.05986	3.7
137.09630	3.0
137.13205	1.7
139.07552	100.0
145.10146	2.2
147.11667	3.3
149.06041	2.7
149.09645	2.1
149.13225	1.6
151.07544	7.9
159.62828	1.1
161.13365	1.9
163.07582	1.8
165.09219	2.3
165.16382	1.7
167.07062	4.4
175.14848	1.8
177.09138	13.6
189.12863	2.0
195.10191	1.4
301.29117	2.6
319.29950	9.5
347.33145	15.8
373.31055	4.7
399.35974	2.4
403.35883	2.3
417.37350	15.1
427.35883	4.1
445.36783	51.6
459.99496	1.1
463.37872	57.5
476.50034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.6
53.07005	0.6
55.01872	0.9
56.05030	0.7
57.03418	0.9
57.07071	1.8
59.63613	0.5
64.28990	0.6
67.05509	3.3
67.77120	0.6
69.03425	4.0
69.07096	1.4
70.06597	3.9
71.04986	2.9
71.08607	1.4
72.08143	2.6
73.06544	0.7
74.06053	1.1
79.05480	0.7
81.07059	4.6
83.04967	1.4
84.08129	1.4
85.02906	3.6
85.06551	10.3
86.09717	3.5
89.03935	3.7
91.05468	0.8
93.07054	0.7
95.04974	1.4
95.08601	0.7
97.02898	2.1
99.04453	0.9
105.06996	1.1
107.08606	1.5
109.06526	2.2
109.10166	7.7
111.08064	1.9
113.06005	2.5
115.05460	1.5
116.07075	0.9
117.03390	14.6
120.08082	1.3
121.06498	1.3
121.10146	2.8
123.08086	0.8
123.11700	8.7
134.06059	1.4
135.04431	0.9
136.07616	1.6
137.05986	2.1
139.11209	3.6
145.02853	41.1
149.05984	5.8
151.03969	0.9
151.11192	4.4
160.05244	1.1
163.03874	1.0
166.08638	2.4
167.07104	3.6
169.12253	100.0
170.12592	1.3
175.07544	4.9
177.05481	70.2
178.05864	1.1
186.05566	1.1
192.06389	0.8
203.12166	1.3
218.08141	8.0
244.79311	0.6
330.18167	0.9
331.17572	0.8
342.13367	17.6
386.85339	0.7
463.21048	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2668
Annotation	Briarellin L
Peak:m/z	Relative Intensity
50.82155	0.4
54.84872	0.3
55.05538	0.4
67.05504	1.6
68.08608	0.4
69.07105	0.4
71.52690	0.6
79.05499	0.5
81.07071	0.9
86.05215	0.4
91.05480	0.5
93.07058	0.7
95.08607	1.4
103.47796	0.4
105.07074	0.7
107.08606	0.6
109.10203	0.7
117.02126	0.4
185.04369	0.5
186.96725	0.5
285.10196	0.8
287.05313	0.5
335.26080	0.5
343.21204	0.6
352.73715	0.4
463.26675	100.0
464.26675	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3031
Annotation	Ranmogenin A
Peak:m/z	Relative Intensity
55.05511	1.2
67.05508	1.4
69.73993	5.3
79.05517	1.2
81.07076	1.3
85.06508	0.8
93.07040	1.1
95.08616	1.3
101.06638	0.9
104.10772	1.1
107.08624	1.4
123.11713	1.0
131.04868	0.9
150.82454	0.8
252.95215	1.0
256.63907	0.9
306.27588	1.0
335.25867	1.2
445.29285	67.1
446.29709	1.0
463.30530	100.0
464.30771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01877	4.2
55.05523	33.4
57.07079	41.7
61.02288	3.1
63.94545	3.4
67.05501	30.2
69.07077	60.8
71.05009	4.8
71.08636	37.4
72.35260	3.4
79.05518	21.1
80.93488	3.6
81.07066	82.7
83.08631	30.5
85.10194	25.0
89.02403	4.0
91.05492	24.5
93.07060	55.8
93.67145	3.5
95.05001	3.3
95.08619	85.3
97.10170	28.7
104.87603	4.2
105.07046	60.8
107.08598	60.4
109.06507	5.4
109.10158	46.3
111.04485	4.7
111.11723	16.7
113.74743	3.5
117.07035	13.9
119.08603	47.5
121.10143	43.3
123.08060	4.0
123.11726	23.9
125.05952	4.3
125.13297	8.1
129.06984	5.1
131.08565	36.3
132.04846	4.0
133.10133	38.3
135.08102	3.9
135.11694	25.0
137.06046	3.3
137.13269	7.2
143.07146	7.8
143.08568	11.5
145.10144	42.6
147.11699	32.6
149.09592	4.3
149.13239	26.1
151.07602	3.9
155.07033	14.7
155.08231	3.3
157.10161	9.8
159.11740	31.2
161.13255	25.5
163.11243	3.8
163.14828	15.9
165.09126	11.2
169.10146	4.2
171.11690	15.6
173.09630	3.9
173.13289	20.6
175.11205	4.1
175.14862	15.4
177.09138	9.1
177.16370	5.3
179.10739	4.5
179.18140	4.1
183.11806	3.4
185.13281	17.1
187.11174	3.3
187.14783	16.4
189.16437	15.9
191.10667	20.4
193.12308	6.0
197.13306	3.6
199.14793	9.4
201.16356	5.3
203.17982	9.2
205.12245	8.8
207.13861	3.5
208.31914	3.7
209.11824	6.3
213.16367	7.1
219.13918	8.1
227.18001	5.7
229.19591	3.6
231.21059	4.4
233.15453	10.2
245.15381	6.0
245.22664	4.5
247.16885	6.4
247.24199	6.1
259.17059	4.9
261.25754	9.8
273.18533	11.8
286.97464	3.7
287.20035	13.8
287.27167	5.6
291.19458	5.2
305.21140	4.0
325.15567	4.0
327.30182	3.8
329.24823	5.7
341.32040	12.7
343.33652	35.5
367.33636	9.8
385.34641	13.4
409.34747	7.0
427.35718	75.3
445.36792	100.0
463.26816	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	463.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.9
55.01861	2.9
55.05516	26.8
56.01242	2.7
57.03432	6.6
57.07066	3.6
59.04976	3.0
65.03944	3.9
67.05507	26.9
69.03433	46.0
69.07071	27.0
70.06604	3.7
70.76625	7.2
71.04995	6.3
71.08635	6.6
72.08155	3.2
73.06557	3.5
78.88217	2.5
79.05499	18.8
81.03414	8.6
81.07059	75.8
83.05011	3.4
83.08631	11.9
83.82944	2.9
84.08145	2.9
85.02895	13.2
85.06551	3.8
86.09673	2.9
91.05460	24.0
91.26117	2.7
93.07047	71.6
95.04977	4.1
95.08608	53.1
97.02866	15.7
97.10187	4.7
99.04474	8.2
100.35580	3.0
103.05380	2.8
105.07031	89.7
107.04984	3.4
107.08594	91.6
109.02879	4.0
109.06552	6.3
109.10159	60.3
117.07018	5.2
119.08579	78.8
121.06465	3.6
121.10149	34.4
123.08051	4.0
123.11701	26.5
127.03918	16.0
127.11181	6.7
131.08554	4.7
133.10129	52.3
135.11684	16.1
137.05981	5.5
137.13232	3.5
145.02840	7.6
145.04974	8.0
145.10114	8.3
147.11693	56.0
149.06064	3.4
149.13264	6.9
151.11194	31.3
159.11745	3.6
159.39685	2.8
160.47031	2.6
161.05946	3.0
161.13268	28.7
163.14844	61.8
165.12726	2.8
167.07004	6.4
175.14827	14.9
177.05476	13.9
177.92587	2.4
191.07129	2.7
201.16531	3.0
203.17960	100.0
221.19016	21.2
242.65916	2.6
301.07016	9.0
301.10275	2.9
316.07159	2.8
321.18961	5.1
347.31339	3.1
463.19998	4.0
463.28494	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	463.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05510	11.4
57.07081	2.8
65.03944	2.7
67.05510	32.9
69.03434	6.5
69.07076	13.6
71.08620	1.5
79.05493	15.8
81.03423	3.0
81.07060	43.3
83.08626	5.4
85.02911	6.2
85.43448	1.3
91.05482	28.2
91.06024	1.8
93.07048	100.0
95.04967	4.4
95.08611	43.3
95.97107	1.2
97.02905	3.6
97.10187	1.7
98.21716	1.2
99.04465	1.4
99.08140	1.9
105.03418	1.5
105.06326	1.3
105.07039	52.2
107.08601	71.0
109.02855	2.0
109.10161	87.1
117.07050	2.1
119.06052	2.0
119.08585	42.5
120.09388	1.4
121.06533	1.7
121.10158	18.4
123.08015	1.6
123.11688	10.6
125.09613	1.7
127.03938	3.6
127.11275	1.4
131.08539	2.1
133.10136	28.2
135.11702	79.2
137.02353	4.1
137.05984	2.7
145.02921	1.3
145.10141	3.9
147.10507	2.8
147.11694	52.3
151.11229	2.4
159.11726	3.0
161.06079	1.4
161.13266	19.4
163.14835	6.0
165.12733	1.7
175.14835	3.3
177.07848	3.5
203.17960	55.3
204.18338	1.4
215.06979	3.6
221.19017	12.0
266.55731	1.6
283.05020	1.4
301.06552	2.1
321.18933	5.1
356.90656	1.2
419.76453	1.6
463.10175	1.6
463.28772	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.6
56.05056	0.4
61.94310	0.3
63.02381	0.4
69.03441	0.5
69.07067	0.5
70.06598	3.1
70.28123	0.4
70.28470	0.8
72.08154	1.8
84.04530	0.6
84.08153	1.6
85.02902	0.6
86.09720	3.3
88.03984	0.4
89.03918	4.5
91.05495	1.0
97.02946	0.4
98.97576	0.8
99.04507	0.3
102.05552	0.4
103.05483	1.1
105.07052	1.0
106.06586	0.4
107.04994	0.4
107.08585	0.3
109.65975	0.3
110.07186	0.8
113.00102	0.3
115.05461	1.2
116.07110	0.6
117.03384	18.7
117.07035	0.3
119.04974	0.5
120.08126	0.7
121.06504	1.1
129.10228	0.8
130.06537	0.4
131.04959	1.1
131.08583	0.3
134.03596	1.4
134.06033	0.5
135.04396	0.8
136.06229	0.7
136.07542	0.6
137.05965	2.2
143.04895	1.0
143.99550	0.3
144.05669	0.4
145.02852	53.4
146.03169	0.8
149.05992	7.0
151.03915	1.2
152.07140	0.3
158.99626	0.3
160.05170	1.6
163.03900	0.6
163.07494	0.4
166.08679	1.8
167.06987	0.5
175.07541	4.6
177.05473	100.0
178.05786	0.8
186.05504	1.1
188.06999	0.3
195.22955	0.3
204.06639	0.8
218.08109	10.1
262.12399	0.3
301.07080	0.6
334.01785	0.3
342.13370	24.0
463.15714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1579
Annotation	Exoticin
Peak:m/z	Relative Intensity
50.40950	0.3
50.47299	0.3
55.05478	0.4
55.31221	0.3
56.05013	0.4
66.39990	0.4
69.03410	1.3
69.07055	0.5
69.95094	1.3
70.06252	0.5
70.06594	4.9
71.05001	0.5
72.08157	3.4
74.06068	0.6
75.54026	0.3
79.05446	0.3
82.88544	0.4
84.04509	2.1
84.08147	2.5
85.02885	1.4
86.09715	4.0
87.04460	0.3
88.03987	0.4
89.03902	0.5
90.28748	0.3
91.05470	0.9
93.07014	0.5
97.02882	0.8
98.97581	1.0
102.05502	1.1
103.05447	0.8
104.05360	0.4
107.04943	0.5
110.07149	0.7
115.08703	0.4
116.07124	0.4
117.03374	1.6
119.04945	0.4
120.08077	0.7
121.06483	0.6
127.03882	0.4
129.10251	0.8
131.04904	0.5
136.07597	0.5
137.05991	7.1
145.02855	4.5
146.06020	0.4
148.06062	0.4
149.06006	2.2
151.07584	0.7
163.03847	0.5
164.07079	0.5
177.05482	16.8
187.10829	0.5
205.04735	49.9
206.05043	0.4
206.08070	0.4
222.07608	1.0
266.07663	4.5
267.08444	1.3
303.05072	0.7
333.11258	0.7
342.13330	1.5
377.01752	0.6
407.12177	0.4
415.13715	0.5
419.24130	0.6
463.15778	100.0
464.15656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
57.54084	0.4
61.02930	0.5
65.09377	0.4
67.05494	1.1
68.99772	0.5
69.02543	0.4
69.03428	1.5
69.07043	0.9
69.31727	3.8
70.06581	1.2
72.08133	0.5
73.12862	0.5
75.16076	0.4
79.05481	0.7
81.03410	0.5
81.07059	1.2
83.08617	0.7
84.08120	0.5
85.02905	3.1
86.09695	1.3
91.05478	1.4
93.07037	1.6
95.08597	1.1
97.02862	1.3
98.97586	0.5
99.00816	1.7
105.07024	1.0
107.08600	1.3
109.10159	1.1
112.01575	1.8
119.04985	0.5
119.08587	0.8
120.08166	0.5
121.06505	0.7
121.10147	0.6
123.04411	0.4
127.00288	2.2
127.03902	0.6
133.10165	0.9
135.11659	0.9
137.06044	0.7
140.01031	1.2
145.02873	1.8
147.11623	0.5
168.00557	37.3
177.05396	1.0
183.02913	4.5
186.01610	17.2
201.05434	0.5
203.17995	1.0
207.05446	0.4
209.03111	0.5
241.05067	0.5
258.05389	0.8
268.03821	2.2
286.04730	9.7
301.07089	100.0
302.07501	1.8
446.15833	0.9
463.18851	0.6
463.28491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
56.05037	1.4
63.02391	0.6
64.88560	0.3
67.05503	0.6
69.03425	0.8
69.07071	0.5
69.47118	1.8
70.02944	0.4
70.06590	8.1
71.04992	0.8
72.08145	4.0
74.06084	1.5
79.05470	0.4
81.03434	0.6
81.07054	0.5
82.10508	0.3
83.06090	0.5
84.04514	1.3
84.08138	2.4
85.02912	1.0
86.06081	0.7
86.09706	4.5
86.90945	0.4
87.05605	0.4
89.03904	4.6
91.05476	1.2
93.04529	0.4
93.07030	0.8
97.02894	0.6
97.06570	0.4
98.06057	0.4
98.97608	0.4
99.04465	0.4
101.07172	0.5
102.05534	0.5
103.05476	0.7
104.05318	0.6
105.07040	0.5
106.04113	0.5
107.04970	0.6
107.08635	0.5
109.06544	0.5
110.07156	3.3
112.08701	0.9
113.07135	0.3
115.05463	0.8
115.08666	0.5
116.07064	0.8
117.03381	18.8
119.04986	0.3
120.06621	0.4
120.08096	1.9
121.06498	0.9
127.03908	0.4
129.10260	1.2
130.06535	0.4
131.04921	1.1
134.03615	1.3
134.05998	0.5
135.04425	0.8
136.07567	0.6
137.05981	2.2
141.10176	0.4
143.04903	0.9
144.05717	0.5
145.02847	54.6
147.04411	0.6
149.05983	6.9
151.03894	1.3
153.05487	0.4
158.06017	0.4
160.05212	1.5
161.05925	0.6
163.03873	0.9
163.07591	0.4
166.08682	1.9
167.06993	0.4
172.87508	0.3
173.12950	0.4
175.06065	0.5
175.07559	5.8
177.05469	100.0
178.05972	0.4
181.04971	0.3
186.05504	0.8
189.09129	0.4
191.07007	0.6
197.11711	0.5
198.12082	0.4
206.08026	0.4
218.06067	0.6
218.08133	11.9
218.53302	0.4
254.15948	0.4
263.13895	0.5
300.12146	0.5
301.12476	0.6
302.68741	0.6
303.04938	0.4
306.54584	0.3
316.68430	0.7
342.13358	24.1
343.13895	0.5
409.90906	0.3
446.93085	0.4
463.17090	3.0
486.89322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01865	2.4
55.05511	7.1
57.03428	1.6
57.07049	1.4
57.62787	0.9
63.54861	0.9
67.05518	5.1
67.43114	1.0
69.03432	6.9
69.07069	13.4
70.06599	5.9
71.04979	3.8
71.51949	1.5
72.08157	5.0
73.02907	1.4
79.05492	6.4
81.03417	3.9
81.06597	1.3
81.07063	16.2
83.05006	1.7
83.08623	6.9
84.04502	2.0
84.08140	4.3
85.02905	14.1
85.06533	2.7
86.09699	6.3
87.00845	4.8
91.05497	6.5
93.07053	16.3
95.04956	1.5
95.08616	27.7
95.96117	1.0
97.02894	6.6
97.06470	1.0
97.10171	3.7
98.97603	1.2
99.04435	1.2
99.08104	17.1
103.05486	2.6
105.01844	6.9
105.07034	5.9
107.04922	1.1
107.08600	31.4
109.02895	2.8
109.10168	8.0
110.07120	2.1
111.08080	7.2
113.09655	1.5
117.07005	1.2
119.08574	4.3
120.08112	1.8
121.06482	2.2
121.10151	45.6
123.04305	1.1
123.08110	1.3
123.11698	2.6
125.05985	1.1
125.09647	6.6
127.03928	7.2
129.10258	3.0
131.04933	5.5
131.08514	1.5
133.10124	3.8
135.11707	8.6
137.06001	5.7
137.13245	6.7
139.11142	1.2
145.04945	2.8
145.10124	4.4
147.11714	1.9
149.13257	2.9
157.10141	1.3
159.02914	1.5
159.11726	3.1
163.03915	2.5
163.07512	1.1
167.07019	5.5
173.09744	1.0
177.16396	100.0
178.16728	1.6
181.04926	1.6
195.17468	23.5
201.16406	4.7
213.18500	37.4
219.01805	1.4
225.05559	1.1
231.04916	1.7
307.09894	1.3
379.03705	1.0
436.23569	1.3
461.17816	4.0
461.25922	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	461.3628
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
52.11738	3.3
55.05521	25.0
55.19855	3.6
57.07080	19.2
67.05493	7.0
68.41489	3.2
69.07075	30.0
71.08624	5.4
71.53524	5.3
79.05484	3.6
81.07070	27.5
82.43662	3.5
83.08160	7.1
83.08622	100.0
85.50449	3.3
91.05470	4.7
93.07038	10.9
95.08591	12.4
97.10179	9.2
105.07019	11.9
107.08595	13.8
109.10174	12.8
109.77402	3.2
119.08573	5.8
121.10142	6.3
123.11697	6.1
131.08586	4.1
133.10173	5.9
135.11685	4.7
143.08525	4.7
145.10173	6.7
147.11697	7.8
149.13268	6.9
159.11711	7.6
161.13228	6.7
165.09099	4.1
175.67888	3.3
188.16023	4.0
201.16357	10.1
203.17999	4.8
232.04211	3.1
287.19974	4.7
305.21118	7.1
425.34216	5.7
443.35260	12.8
461.35974	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	461.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.05689	0.8
55.05510	2.6
67.05506	6.4
69.07076	5.3
69.43198	6.3
71.08640	1.2
75.33025	1.1
79.05497	2.4
81.07061	8.2
83.08611	1.5
91.05486	11.6
93.07051	1.9
95.08619	6.6
97.10144	1.1
98.20956	2.9
105.07052	2.0
107.08604	2.4
109.10180	3.0
119.04968	7.0
119.08598	1.9
121.10168	1.5
123.11703	1.8
130.68536	0.8
133.10149	1.6
135.11832	1.0
137.05984	100.0
137.13298	1.2
138.06268	0.9
145.10081	1.0
152.07047	1.8
154.08636	35.6
186.96812	1.0
205.52362	1.0
269.84424	1.1
325.95367	0.8
416.31604	39.9
443.34912	1.3
461.21896	1.0
461.27762	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	462.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02376	0.7
53.03952	1.7
55.01876	1.4
65.03935	0.6
68.68089	0.2
69.30949	2.0
71.04992	0.6
74.54597	0.2
77.03923	0.7
79.05487	0.6
81.07077	0.3
91.05485	11.5
93.07045	10.1
95.04976	3.1
102.04695	0.3
103.05475	10.4
105.04525	1.4
105.07015	0.5
107.04950	0.5
109.06529	0.3
112.58760	0.3
115.05454	4.1
117.03410	0.3
117.06989	0.7
119.04942	3.2
121.06509	43.6
123.04446	0.9
130.04178	0.6
131.04930	0.4
134.03651	0.8
135.04399	1.2
137.02364	0.4
137.05984	10.0
138.09123	0.6
141.03365	0.4
143.04921	5.5
145.02846	0.3
145.06493	2.0
147.04413	2.4
149.05966	2.2
150.06754	2.4
151.03979	1.2
152.07082	0.3
157.04044	0.3
158.03629	1.9
160.05209	1.2
161.06052	0.3
164.07043	0.7
165.07013	0.9
166.07771	0.6
171.04346	0.4
173.06004	3.5
174.06807	0.6
175.03973	2.5
175.07552	3.3
176.06139	1.1
177.05486	0.6
177.06960	3.6
178.07793	0.4
179.08583	0.4
180.05780	0.2
181.06464	0.3
186.03128	8.3
187.03659	0.2
187.07489	0.2
188.04794	0.5
189.05443	0.8
189.07027	0.7
190.07822	0.4
191.06992	0.4
191.08549	0.7
193.06487	0.6
193.10173	0.3
194.07272	4.4
194.08926	0.4
195.08095	0.6
200.04778	0.3
201.05463	15.7
202.07742	0.4
203.06998	1.3
204.05708	1.2
205.06488	15.1
206.07272	1.3
207.06396	0.3
207.08099	1.0
208.05077	0.3
209.09612	0.4
211.03746	0.3
211.07556	1.0
215.03389	0.6
217.06534	0.8
218.07286	0.4
219.08040	2.5
221.05997	3.5
221.09491	0.5
222.06766	9.0
222.08965	0.4
223.07536	1.3
224.04739	0.6
226.06281	0.8
227.07082	1.8
232.05316	0.7
233.05983	14.8
234.06784	3.6
235.07542	0.8
236.04672	0.9
236.08301	0.8
237.09120	11.6
239.07028	2.1
240.07674	0.3
247.07555	3.0
248.08330	0.8
249.05501	4.7
249.09244	0.6
250.06256	14.1
251.07042	3.3
252.04248	0.3
253.04979	0.5
253.08640	0.7
254.05798	0.8
254.09410	0.5
255.06792	0.4
261.05475	3.0
262.06158	0.5
263.07126	1.1
264.07828	6.1
265.08612	25.0
266.09372	2.4
267.06561	2.7
267.09744	0.5
269.08157	0.4
275.06915	1.2
276.07809	0.3
277.04977	2.9
277.08191	0.6
278.05768	7.0
279.06537	1.0
279.10184	3.1
281.07944	0.6
282.05563	0.3
282.08810	2.8
283.09680	0.6
292.07312	17.3
293.08072	23.7
294.08765	1.2
295.06158	2.1
295.09280	0.3
297.07858	0.5
297.11224	5.3
299.12738	0.8
307.09653	39.2
309.07645	0.7
310.08334	4.1
325.10712	100.0
326.10934	0.9
327.12186	0.4
350.80463	0.2
396.99063	0.2
462.19147	25.2
463.19388	0.6
469.66537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.03944	0.2
55.01870	0.3
55.05500	0.8
56.02647	0.2
57.03443	0.3
61.02917	0.2
66.01111	0.2
67.05498	0.8
67.88413	0.2
67.91550	0.2
68.99795	0.8
69.03436	1.1
69.07068	0.8
69.34216	1.3
70.06601	1.3
71.01359	0.2
72.08142	0.6
73.02907	0.2
76.47593	0.2
79.05487	0.6
81.03413	0.3
81.07061	2.0
83.08617	0.4
84.02132	0.4
84.08157	0.8
85.02900	1.2
86.09709	2.2
91.05486	1.3
93.07054	2.5
95.04949	0.2
95.08613	1.5
97.02893	0.6
97.06509	0.2
97.09172	0.2
97.10174	0.2
99.00828	1.5
99.04459	0.2
105.07044	2.1
107.04978	0.2
107.08593	1.9
109.02843	0.2
109.10168	1.5
110.07108	0.3
112.01588	1.5
112.65974	0.2
114.89837	0.2
117.03380	0.3
119.04942	0.2
119.08606	1.6
120.08115	1.6
121.06496	0.4
121.10160	1.0
123.11717	0.6
127.00282	2.3
127.03908	0.6
129.10216	0.3
131.04951	0.3
131.08583	0.2
133.02866	0.2
133.10139	1.7
134.10463	0.5
135.11723	0.6
137.05965	0.6
137.73434	0.2
140.01071	1.4
145.02846	1.2
145.04936	0.4
145.10144	0.4
147.11650	1.4
149.06003	0.3
151.11209	0.5
154.99835	0.3
159.11667	0.3
161.05917	0.2
161.09846	0.2
161.13135	0.8
163.14830	1.5
167.07117	0.2
168.00548	34.2
169.00957	0.2
177.05466	1.1
183.02898	3.9
186.01602	18.0
188.01678	0.3
203.17999	2.3
216.01143	0.5
221.15718	0.2
221.18979	0.5
227.07433	0.2
241.04932	0.5
245.08179	0.4
255.06476	0.3
258.05222	0.6
268.03632	2.3
269.04123	0.2
273.07761	0.3
279.17136	0.3
283.05994	0.5
285.03879	0.4
286.01501	0.3
286.04718	6.7
301.07068	100.0
302.07449	1.1
308.19556	0.2
375.10028	0.4
446.16092	0.3
460.14761	0.2
463.20209	0.5
463.29095	0.9
464.08151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.2
56.05037	3.3
57.03443	3.3
63.43499	2.8
67.05500	13.8
69.03427	9.9
69.07076	32.7
70.06593	35.4
71.01351	4.1
71.05004	6.2
71.52291	3.1
72.08161	21.2
73.06543	3.7
74.06064	3.1
79.05495	24.4
81.03416	3.2
81.07051	11.3
83.04981	66.2
84.04504	9.5
84.08150	21.0
84.80714	3.1
85.02914	5.7
85.06550	5.6
86.09713	25.4
87.10040	3.9
91.05477	20.0
93.07040	15.8
95.04977	13.0
95.08576	3.7
97.06535	60.6
99.04453	13.0
99.08147	3.0
101.05994	4.3
102.05595	3.9
103.05457	9.0
105.07031	49.5
107.04944	7.2
107.08601	15.5
109.06519	12.6
110.07185	7.9
113.06015	3.1
117.07044	11.6
119.04955	5.5
119.08579	7.5
120.08121	11.0
121.06510	38.4
121.10131	3.8
123.08068	4.1
125.05997	100.0
127.03849	4.1
129.06998	5.3
129.10213	7.3
130.07784	6.8
131.04918	7.9
131.08572	21.9
133.06505	6.1
133.10159	9.2
135.04413	4.8
135.11826	3.8
136.07608	8.1
137.02168	3.3
137.05981	14.0
141.07057	4.4
143.07043	46.4
143.08531	8.5
144.09326	4.0
145.02849	4.1
145.06514	14.6
145.09053	5.8
145.10133	72.2
147.04431	3.1
147.07957	4.6
149.05942	5.3
151.07561	13.6
155.08496	4.6
158.07307	10.7
159.08064	6.9
159.11676	31.7
163.03937	3.3
163.07524	6.8
163.11238	10.3
167.07079	5.7
169.10165	11.6
171.11703	3.0
173.09637	75.7
175.06099	4.0
177.05431	3.5
177.12810	15.1
179.08575	4.1
187.11212	52.5
191.10663	19.9
192.07619	5.8
193.08374	4.7
194.08488	3.5
197.09750	3.9
205.12254	46.9
209.11725	5.4
210.15088	3.9
215.10666	54.9
233.11792	20.9
251.12906	3.8
332.73535	3.2
373.11536	4.7
443.28137	3.7
461.20947	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	460.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.8
55.01870	4.6
55.05515	28.9
57.07083	8.3
57.48640	3.9
67.05512	93.9
69.03442	42.6
69.07081	31.5
71.04978	5.9
71.08621	8.6
71.53323	4.5
79.05499	31.6
81.03436	56.8
81.07063	100.0
83.05000	4.9
83.08622	16.0
85.02905	27.0
91.05485	29.2
93.07059	39.6
95.04993	9.4
95.08613	77.7
97.02895	32.9
97.06533	8.5
97.10165	18.2
99.04465	9.3
103.06465	4.0
105.07033	25.2
107.08610	24.7
108.04488	6.1
109.02872	22.5
109.10153	28.4
111.04469	9.4
111.08056	6.3
117.07018	9.7
119.08591	39.6
121.10152	24.3
123.04391	5.3
123.11710	16.2
124.39278	4.3
127.03921	24.9
129.07022	6.0
131.08568	9.2
133.10150	17.8
135.08035	5.6
135.11705	11.4
137.13297	7.6
141.06923	4.0
143.08525	6.7
145.04996	8.0
145.10121	11.7
147.11694	11.0
149.06076	4.7
151.07510	18.1
159.11693	5.1
161.13284	10.6
173.13264	8.5
175.14867	5.3
186.50102	4.8
191.10707	6.0
193.12157	4.7
205.12297	5.1
215.14346	5.2
226.08571	4.3
245.22696	10.5
263.23685	21.4
271.16940	7.5
291.23126	4.2
293.24915	9.2
295.15140	5.7
303.23398	6.1
305.24564	7.6
317.24780	9.4
333.24011	5.9
335.12088	4.3
343.26474	12.5
353.24786	9.2
371.25891	33.3
389.26895	40.7
407.27954	43.0
425.29034	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	460.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.1
55.05507	0.7
57.03439	12.7
59.34246	0.6
67.05494	1.1
71.01345	0.9
71.04991	11.8
73.02908	1.5
77.03902	0.9
79.05490	7.2
81.03401	1.0
81.07047	1.2
85.02903	4.8
86.09703	0.9
89.06026	7.9
91.05482	8.4
93.07047	11.9
95.01334	1.4
95.04969	6.0
95.08580	1.4
97.02863	0.7
103.04900	0.9
103.05487	9.8
105.03394	74.9
105.04535	2.4
105.07049	0.9
107.08603	0.7
113.02358	2.7
117.78730	0.7
119.04990	0.9
121.02847	0.7
121.06509	53.4
123.04430	12.1
127.70808	0.6
131.03415	2.0
141.01851	3.9
145.08603	100.0
146.05981	0.6
151.03903	0.8
159.02928	0.8
164.07091	5.9
165.09138	2.9
166.09409	1.3
166.71835	0.7
174.06877	0.7
175.06064	0.8
177.05487	1.3
179.07039	92.2
189.06978	0.9
194.07382	0.8
197.08008	0.7
205.06499	2.2
206.11798	0.9
209.09732	0.7
212.07262	1.1
219.08241	1.3
220.05290	3.5
221.06001	2.1
222.06802	3.2
233.06007	1.9
234.06752	1.8
235.07544	8.2
237.05528	1.0
237.09116	8.4
239.07098	1.1
241.55147	0.7
247.07745	2.5
248.04617	3.3
249.05623	3.8
249.11230	24.3
250.06274	2.5
251.07080	1.3
263.07031	11.8
263.09683	1.0
264.07834	1.5
265.05075	2.9
265.08633	16.5
266.09360	0.6
267.06552	2.2
267.12344	2.7
280.07367	4.2
281.08383	0.6
282.08871	26.4
291.06552	10.3
294.04459	0.6
297.11194	19.4
308.06805	1.5
313.10651	2.0
321.11914	2.1
323.09134	47.5
325.10788	1.2
355.10394	1.9
416.24417	2.9
460.17593	52.6
460.26822	3.3
461.18097	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01867	4.3
55.05504	6.2
57.03441	3.3
57.07061	2.1
59.04995	3.1
61.02907	2.5
67.05515	16.6
69.03438	23.9
69.07066	6.8
70.06590	1.4
70.64076	4.2
71.04995	6.8
71.62012	1.2
72.08157	1.9
73.02914	6.1
79.05499	5.5
81.03428	19.5
81.07075	15.8
83.04998	7.5
83.08627	4.8
84.08153	2.4
85.02914	42.1
85.06541	8.6
87.00835	16.6
87.04462	1.2
87.70512	1.4
91.05469	5.0
93.07053	22.2
95.04968	10.7
95.08617	34.6
97.02907	11.9
99.04453	11.2
99.08105	91.9
101.05994	1.9
105.01847	10.7
105.07030	5.8
107.08612	23.0
109.02899	16.3
109.06501	3.9
109.10168	53.8
111.08102	4.1
113.06035	1.5
117.01880	2.5
119.08598	19.5
120.19212	1.5
121.10165	11.0
123.08103	4.9
123.11740	11.5
125.09645	5.0
127.03925	28.7
129.01854	2.2
133.10133	18.1
135.11707	51.3
137.09642	21.3
137.13251	1.7
144.03348	1.5
145.04950	11.8
147.02887	1.7
147.11696	1.8
149.13263	5.1
151.11180	2.5
151.14767	3.3
155.10695	29.5
159.02902	9.0
165.09137	4.3
165.16380	5.7
167.07114	1.6
175.14835	24.1
180.97081	1.4
192.07787	2.7
193.15904	57.6
195.17459	1.5
211.16946	100.0
212.17342	1.6
213.03914	1.7
231.05052	6.0
270.49258	1.5
326.16064	1.5
345.98410	1.4
359.75098	1.5
440.91385	1.7
459.22275	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	459.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.3
56.54612	0.9
57.03436	1.7
57.07070	1.4
63.70948	1.0
67.05501	8.7
67.36938	1.0
67.79018	1.0
69.07058	2.8
69.50304	7.1
71.04987	1.1
77.43737	1.0
79.05487	4.8
81.07066	12.9
83.08604	2.0
89.06013	1.4
91.05489	14.5
93.07046	6.1
95.08598	8.6
97.06521	1.1
104.59827	1.2
105.07034	4.0
107.08594	6.6
109.10176	5.0
119.04935	7.3
119.08566	2.8
121.10143	4.3
123.11684	3.0
131.08546	2.2
133.10133	2.0
135.11670	2.3
137.05983	100.0
137.13182	1.4
140.71049	1.1
145.10147	1.6
145.95911	1.0
147.11687	2.1
149.13235	1.2
151.07535	2.8
152.07072	2.7
154.08636	37.7
163.14763	1.3
177.16281	1.2
197.02101	1.3
250.14323	1.2
261.22110	2.2
271.38480	1.1
285.02951	1.2
286.03592	1.2
292.19064	1.5
306.20374	1.4
392.71112	1.2
414.30154	12.9
459.34201	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	460.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01873	5.7
55.05508	0.9
57.03441	3.3
60.04517	0.9
61.02934	3.6
68.99800	3.1
69.03433	17.5
69.07065	0.6
69.42316	3.9
70.06596	4.7
71.04991	3.2
72.08164	5.8
73.02916	5.5
74.06068	0.6
79.05483	0.6
81.03426	16.9
83.01347	0.7
83.20793	0.5
84.04485	1.4
84.08136	1.9
85.02909	56.1
86.06119	0.6
86.09711	7.3
87.00835	22.5
87.10041	0.6
89.03912	2.5
91.03958	1.6
91.05471	0.9
97.02898	21.3
97.03528	1.1
99.04456	9.5
101.02352	0.6
102.05500	0.6
105.01868	21.0
106.08675	0.9
108.04478	2.0
109.02887	22.3
110.02431	0.6
113.02298	0.7
115.03905	0.6
116.07144	0.5
117.01915	2.8
117.03391	10.5
120.08100	1.2
126.05591	1.0
127.03925	42.9
129.01845	3.7
129.10225	1.2
131.05000	1.2
132.10217	0.5
134.03639	1.1
135.04420	0.6
136.07559	0.7
137.05989	2.8
143.11818	0.7
145.02864	29.1
145.04951	20.8
145.06151	0.7
147.02907	1.9
149.05969	3.8
152.07051	0.7
153.05505	0.7
155.69656	0.5
159.02898	11.3
159.09064	0.6
159.60406	0.5
162.03131	1.0
163.03932	2.0
163.07524	0.6
169.06242	0.5
175.07529	1.1
176.10725	0.6
177.05475	100.0
178.05875	1.2
182.52374	0.6
189.03963	0.9
195.06531	27.1
213.03912	2.4
213.09235	0.6
216.09865	0.6
219.06544	1.6
231.05009	11.1
237.07562	0.8
241.08539	1.1
248.07726	0.8
249.06181	1.6
285.07672	1.5
355.11829	1.0
398.15796	1.3
425.10690	4.9
460.21143	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.2
55.01844	1.0
55.05496	1.7
57.30539	0.7
59.38145	0.7
67.05469	0.8
69.03403	1.3
69.07040	1.6
70.06595	13.6
71.06918	0.8
71.18166	0.9
71.43595	0.6
72.08160	10.9
79.05476	2.4
81.07040	1.1
84.04498	1.5
84.08154	5.1
85.02879	2.2
86.09715	12.2
87.04449	1.1
88.03969	0.8
89.03898	2.0
89.10777	1.1
90.04651	0.7
91.05479	5.5
93.07036	2.0
95.04955	1.2
95.08600	0.9
97.02838	1.2
98.06039	2.6
102.05595	1.0
103.05469	6.8
104.06226	2.7
105.03369	1.0
105.07017	3.0
106.04169	1.1
107.04964	7.8
107.08594	0.7
109.06520	1.7
109.10140	1.7
110.07145	2.3
115.05417	1.0
115.08678	5.8
117.03378	2.7
118.04144	2.2
119.04914	3.0
119.08564	1.0
120.08103	1.6
121.06478	1.9
121.10175	0.9
127.03841	1.1
129.10217	1.9
130.08627	1.0
131.04935	21.9
132.05711	33.3
133.02863	5.3
133.06494	2.7
133.10083	1.2
135.04422	3.1
135.08012	0.9
135.11699	1.0
137.05966	3.7
143.08478	0.7
145.02835	2.6
147.04387	2.2
148.05182	2.7
149.05992	4.1
151.07520	3.2
154.06209	1.1
159.04369	2.7
160.05206	17.9
161.02309	3.1
161.05986	11.5
162.06786	2.0
163.03903	6.0
163.07558	4.2
163.08713	1.1
164.04663	1.2
165.05481	8.0
167.07016	11.7
173.02402	0.8
173.05986	0.8
175.03958	1.0
175.08719	2.0
176.04639	2.4
177.05487	16.3
178.06207	1.5
179.05507	0.9
179.07050	14.5
180.07808	27.0
181.04929	2.0
181.08582	2.4
182.09399	2.2
185.16492	0.9
187.03911	5.0
191.05751	0.6
191.07040	26.9
192.07820	100.0
193.08578	3.2
199.03897	2.2
199.18065	0.9
201.12448	0.8
205.06561	0.8
207.06496	8.2
207.08150	0.8
208.07288	2.6
209.08176	2.3
210.08894	2.4
211.16980	1.4
213.15930	1.2
219.08070	1.1
227.17636	0.9
232.05286	0.9
233.05995	1.9
235.07567	2.0
247.07578	1.2
249.05504	1.0
250.06311	1.1
250.13229	1.4
261.05536	1.5
263.06982	2.6
265.08499	1.2
274.17908	0.8
275.07184	1.4
278.05719	1.7
279.06512	2.2
284.94354	0.8
289.05038	1.0
292.07669	0.8
293.08096	2.0
297.14362	1.8
303.06558	0.9
310.08249	1.2
321.07574	18.4
323.09100	1.2
341.10248	4.3
341.15332	0.8
353.10211	29.2
371.11276	84.7
441.20880	1.0
442.18695	6.1
459.21439	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83440	1.4
55.01857	2.0
69.03400	1.6
69.52772	10.9
70.06592	18.4
72.08138	7.0
80.36449	1.7
84.04482	5.8
84.08135	9.6
85.02895	6.4
86.09679	7.1
91.05447	1.7
97.02873	4.2
98.97569	4.1
100.00121	5.0
101.00871	6.7
103.98476	1.7
109.02842	2.8
113.00885	2.5
115.02381	2.1
115.11489	1.4
116.07023	2.4
118.01147	4.0
118.08617	4.1
119.01921	8.1
123.04473	1.6
127.02391	2.8
127.03889	2.1
127.12298	2.0
129.10211	6.0
130.05000	3.9
131.01871	5.9
133.02747	1.9
133.06435	1.7
136.06200	2.9
137.05988	32.9
142.01076	7.7
143.01906	12.8
144.02750	1.9
145.03430	6.5
147.04382	4.4
147.07649	2.6
152.05638	4.2
154.01065	3.5
155.01852	9.1
156.02647	7.0
158.99626	2.3
160.02165	7.1
161.02954	15.7
168.02657	4.7
170.00745	2.2
172.02155	2.6
173.02939	7.9
177.03970	3.4
178.01125	4.4
179.01857	2.1
181.03493	4.5
184.02141	2.6
185.02905	4.2
186.03697	4.6
193.03261	5.4
194.04254	2.3
195.05003	19.7
196.02165	13.6
197.02959	6.6
203.03998	6.6
205.03481	2.9
217.03552	2.2
218.04266	4.7
219.05042	32.9
221.03104	2.2
221.05020	10.1
222.03717	4.7
223.04503	3.4
226.03311	2.1
229.03558	2.1
231.04976	5.9
233.06616	3.2
236.05243	3.2
237.06073	24.8
240.04860	3.1
244.04291	100.0
245.04771	3.3
246.03729	5.4
247.04507	9.2
249.06079	6.2
251.07478	2.4
259.04660	9.7
259.06830	1.9
261.06097	17.7
262.05420	11.6
263.07813	2.4
264.04785	16.7
264.90823	1.8
265.05573	1.9
273.06116	2.4
279.04056	2.6
279.07129	19.1
285.06448	2.6
288.04849	3.5
291.07129	4.8
297.08179	5.9
297.11331	2.0
300.04712	2.1
307.06589	14.0
309.08212	6.1
313.08295	1.8
320.07495	2.7
321.08279	16.4
330.11166	6.8
331.06589	2.8
333.08252	2.5
336.06821	5.4
339.09201	2.4
348.06888	64.3
349.07507	3.7
351.09109	3.5
363.09274	29.4
366.07904	9.7
369.08923	2.7
381.10297	95.9
382.10526	2.9
399.11383	73.8
417.12103	8.9
441.12479	3.3
459.13467	24.6
459.27014	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	458.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.0
55.01867	8.2
55.05515	27.2
57.03430	8.6
60.48359	3.6
65.03947	4.3
67.05508	82.5
69.03086	5.1
69.03436	55.5
69.07082	27.6
69.41232	18.0
69.41634	8.7
69.99638	3.3
71.04995	8.5
79.05072	6.0
79.05499	70.5
81.03416	87.2
81.07059	100.0
83.04971	12.1
83.08612	12.6
85.02906	43.3
85.06540	4.7
86.09708	8.0
91.05479	54.3
93.07046	80.4
93.08951	3.4
95.04974	9.1
95.08612	80.2
97.02898	37.7
97.06535	8.2
97.10196	4.4
99.04456	12.2
99.08100	4.4
105.04513	4.6
105.07036	51.5
107.04942	9.2
107.08603	43.5
108.04489	7.9
109.02863	21.9
109.06513	9.7
109.10155	35.2
111.04419	8.2
111.08174	6.4
115.03911	4.5
117.07007	25.3
119.08591	36.1
121.06529	4.2
121.10146	51.9
123.08128	4.4
123.11695	11.0
124.82418	4.2
125.09657	6.1
127.03908	20.7
129.05495	5.3
129.07027	9.0
131.08575	34.1
133.06465	3.5
133.10155	34.6
135.08040	6.7
135.11685	27.6
141.06952	8.4
143.08540	14.8
145.05023	6.0
145.06509	5.1
145.10124	26.9
147.08063	6.1
147.11726	24.6
149.13261	14.8
155.08531	7.8
157.10143	10.2
159.11665	27.3
161.09607	8.1
161.13243	14.3
163.11218	6.1
163.14793	8.9
171.11700	14.0
173.13300	18.1
175.11183	4.2
175.14815	8.9
181.10077	4.2
183.11673	7.3
185.13277	14.6
187.11168	4.9
187.14841	4.9
197.13176	5.2
199.11293	6.3
199.14825	8.3
209.13266	7.2
215.17892	4.5
243.21034	6.2
259.20651	8.0
261.22153	26.8
271.20633	5.7
277.21652	12.1
285.22253	5.8
289.21555	4.9
291.23254	8.2
301.21783	4.7
303.23218	15.1
313.21689	4.4
315.23297	6.2
319.22607	5.7
325.60690	3.5
341.24731	8.2
351.23163	14.4
369.24234	34.0
387.25394	31.7
405.26419	37.2
423.27551	13.2
458.37814	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	458.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
54.22119	0.4
55.01861	0.8
63.75769	0.4
68.05010	0.8
69.03430	5.7
70.06595	4.9
71.01347	1.0
71.51429	0.5
72.08168	3.5
73.02912	1.3
75.04478	3.6
79.05473	1.6
81.03418	1.1
81.38799	0.4
83.01330	1.6
84.04494	1.5
84.08159	2.6
85.02904	1.5
86.06075	41.0
86.09710	3.4
87.04476	3.7
88.03983	0.6
89.03920	7.8
91.05482	0.8
93.76271	0.5
97.02907	5.6
101.02396	3.8
101.06037	0.7
104.07133	2.2
107.04959	1.8
107.89972	0.4
110.07107	0.7
111.04452	1.7
112.03976	0.5
113.02378	1.1
115.03934	1.1
116.07101	1.2
117.03392	12.4
125.02366	1.9
127.03918	0.7
129.05479	5.5
129.10300	1.0
131.18060	0.5
133.06061	0.6
135.04425	21.0
137.06012	0.5
143.03383	1.4
143.11996	0.4
145.02859	18.4
145.03998	1.1
147.04411	0.5
147.06567	0.7
148.04802	0.5
150.05501	0.6
154.75363	0.4
157.04991	1.2
163.03915	100.0
164.04292	1.5
175.06067	4.2
177.05492	4.5
193.07072	7.9
232.12953	0.6
249.54526	0.4
260.11292	0.9
262.08618	1.9
278.12369	46.7
279.11395	0.7
291.11331	0.9
293.12924	0.9
296.09860	3.4
296.13446	14.5
341.18866	0.4
354.92844	0.4
369.52972	0.4
371.04077	0.6
378.14435	0.6
396.15677	1.0
414.16776	0.6
440.15570	4.6
442.56326	0.5
458.30869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.34645	2.3
58.96222	2.1
58.99584	5.4
60.76284	2.1
67.05501	4.6
68.05035	2.1
69.03421	7.0
70.02940	2.3
70.06594	35.2
71.30608	4.4
72.08164	12.6
76.02219	6.9
81.03403	5.2
82.06567	6.9
84.04498	7.1
84.08134	9.8
85.02892	8.4
86.00657	6.8
86.06052	2.8
86.09707	12.2
88.02200	6.4
88.03990	10.0
91.05467	2.7
94.06581	10.7
96.04494	12.9
97.02892	11.6
98.97628	2.7
100.02190	5.9
104.07149	2.4
106.06564	4.2
107.04962	14.2
109.02902	13.0
110.06044	19.2
110.07159	5.0
114.03757	3.6
116.07103	5.4
118.06523	3.2
120.04463	4.3
120.08052	3.5
122.02726	3.7
122.06033	45.2
123.04417	16.5
124.07564	6.2
126.05523	3.4
127.03902	17.1
129.10229	5.3
130.06519	33.6
132.01125	8.5
132.04416	10.9
132.08083	6.3
133.07639	3.0
134.06015	3.1
135.04399	10.9
136.07578	100.0
137.05972	6.5
137.07091	15.6
138.00046	3.8
138.05492	20.9
140.01654	29.1
140.06950	7.3
142.03239	12.1
146.02708	7.9
146.06000	4.4
147.04416	3.0
148.03937	4.7
149.07109	3.3
150.03723	3.2
152.01653	3.6
152.07076	23.0
154.03249	3.1
154.08650	2.6
157.07611	39.4
158.06024	35.2
159.09160	11.7
161.07076	2.7
162.02165	3.9
162.05444	5.4
162.07903	3.0
163.03934	3.4
163.08826	2.3
164.07066	66.4
165.05461	2.6
166.03233	3.9
166.04912	2.7
167.06351	4.3
169.09862	2.6
175.08679	15.8
178.03195	3.1
178.08517	2.6
182.08154	31.6
182.09616	4.8
182.91817	2.5
183.05864	5.2
184.00633	8.6
184.07584	2.7
185.07083	4.8
187.06030	8.3
194.02744	3.8
195.05870	24.3
200.10765	2.4
201.06627	3.5
203.08302	12.7
207.07690	5.2
209.07303	2.7
214.08519	2.4
215.14053	2.9
227.08192	6.9
229.06369	17.5
231.09761	3.5
241.06421	68.0
241.08984	3.6
245.09224	11.5
247.07976	6.7
255.11200	12.3
256.09625	16.4
259.07495	83.7
259.10394	4.7
261.08633	10.3
267.11282	4.2
271.07248	5.6
276.08688	2.3
279.11310	16.1
279.13947	2.6
283.10724	4.0
284.08975	4.1
289.08224	21.9
291.11203	2.8
293.12784	3.5
296.11728	2.3
296.14835	9.1
301.11868	27.8
302.10184	37.2
307.09286	16.1
319.12860	27.0
320.11310	10.1
333.08899	2.9
334.15607	6.1
343.16357	2.4
351.10217	5.9
354.14456	7.5
378.14328	5.6
396.15433	17.3
422.13577	8.1
438.82764	2.4
440.14728	40.1
458.14789	17.7
458.20480	11.2
460.13654	2.5
475.66516	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34878	2.3
53.03945	2.4
55.05519	3.3
56.05032	2.7
57.03446	2.1
69.03436	8.3
70.06599	36.9
72.08154	13.0
74.06091	3.5
79.05502	4.6
81.03423	5.2
82.06600	2.3
84.04525	7.8
84.08150	12.7
85.02904	11.0
86.06078	5.1
86.09724	12.5
87.04453	2.2
87.21179	2.1
88.02230	15.2
88.04000	6.1
93.89071	2.3
97.02902	10.0
104.04987	2.4
106.06553	5.6
107.04950	30.2
109.02892	4.7
110.06031	2.5
110.07167	5.7
118.06549	2.3
122.06009	2.8
123.04436	26.1
127.03937	3.3
127.08614	2.4
129.10243	8.4
130.05052	4.7
130.06531	64.6
131.06039	3.0
132.04449	24.6
132.08095	9.1
133.07593	2.5
134.06076	6.9
135.04433	21.8
136.07608	5.1
137.05965	8.7
138.05525	2.8
143.07082	3.5
145.07623	4.6
146.06088	9.8
147.04440	5.8
152.07071	47.1
157.07626	100.0
158.06035	66.6
159.09186	30.5
161.06024	3.1
162.05525	3.8
163.03906	6.0
164.07068	9.3
165.05486	8.2
166.08640	2.4
169.07616	10.4
175.08696	28.9
177.05592	3.2
183.05486	2.4
183.09331	2.6
184.07549	4.6
185.07126	18.9
187.10693	2.1
195.05930	2.3
197.07166	4.1
199.08693	4.8
201.06667	4.9
201.10384	4.6
203.08177	24.0
221.09187	3.4
225.06682	4.2
227.08206	20.0
243.07619	7.0
245.09201	25.2
245.11176	2.5
251.08228	3.3
259.07565	2.7
261.08701	29.3
262.81754	2.7
267.11243	12.7
271.07153	13.7
277.09723	3.0
279.11282	41.8
289.08218	48.3
291.11374	4.7
293.12912	7.6
296.11694	4.3
296.14911	30.4
307.09265	50.8
334.15503	18.0
337.11771	10.5
343.16330	2.3
354.14505	12.4
378.14575	20.6
396.15561	44.6
422.13486	11.3
440.14478	43.3
458.20575	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	458.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
55.19582	0.7
61.02929	1.0
67.01862	0.9
67.05521	0.7
69.03438	10.3
70.06600	7.4
70.32125	0.6
71.04992	1.2
71.51318	1.1
72.08167	3.4
72.72001	0.6
78.53722	0.6
81.03427	19.0
84.04498	1.8
84.08145	2.3
85.02913	9.6
86.09716	2.2
87.05666	0.6
87.75513	0.6
88.03995	1.2
94.06579	1.5
95.01312	1.2
96.04497	2.0
97.02900	100.0
98.97607	1.0
99.04459	5.2
101.02340	0.8
102.05566	0.8
107.04972	0.8
109.02891	21.1
110.06056	1.4
110.07190	0.8
116.07101	1.8
120.08113	5.6
120.23333	0.7
122.06030	3.8
123.04449	1.7
124.07642	0.7
127.03927	49.4
129.10277	1.7
130.06543	2.2
132.01270	0.8
132.04482	0.7
132.10223	0.7
135.04472	0.8
136.07597	8.1
137.06067	0.9
137.07130	1.6
138.05518	2.2
139.03935	1.0
140.01662	2.3
140.07123	1.0
141.01855	3.4
142.03197	0.9
145.05029	2.1
146.06058	1.0
152.07132	1.4
157.07616	1.7
158.06021	1.8
159.02943	1.5
159.09258	0.7
164.07077	6.9
166.08655	2.5
169.04999	3.8
175.08771	1.2
182.08153	3.7
184.00609	1.2
187.06026	34.0
195.05936	1.9
207.07579	0.8
229.06979	4.3
237.02803	0.7
241.06462	5.9
247.08160	22.5
255.11340	0.9
256.09686	1.6
259.07501	7.8
289.08401	0.8
296.14603	0.7
301.11966	1.6
302.10257	3.2
307.09357	0.8
319.12946	2.1
333.08966	0.9
343.16245	1.3
440.14636	4.8
458.15594	2.2
458.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.9
55.05496	1.1
55.25970	1.1
56.05034	1.3
57.03440	1.2
69.03431	3.7
70.06599	19.9
70.83382	3.2
72.08155	9.3
79.05497	1.3
81.03407	2.0
83.06075	1.3
84.04490	5.3
84.08150	9.4
85.02893	2.1
86.06059	12.8
86.09702	11.4
87.10005	1.1
88.03993	8.8
89.03917	3.4
91.05439	2.3
97.02866	2.3
101.02387	1.7
107.04920	1.6
110.07164	2.7
111.04414	1.4
112.03989	2.6
112.11200	1.6
115.05421	1.5
116.07110	4.5
117.03374	4.9
120.08112	2.4
123.04408	1.5
129.10265	3.5
130.04990	1.8
130.06552	2.1
131.19389	1.1
132.04498	1.8
132.08105	1.6
134.06003	2.0
135.04407	8.1
136.07584	2.2
137.06007	1.8
143.11876	1.1
145.02850	8.5
147.04401	1.3
150.05531	3.5
156.08095	2.2
162.05446	3.1
162.10265	2.0
163.03905	30.9
164.07071	2.4
164.09322	4.1
177.05481	9.1
204.08115	4.0
206.09637	2.5
210.07661	2.5
210.11349	1.1
212.07100	2.3
218.09738	3.0
220.07599	3.1
220.11476	1.5
222.09021	1.9
226.08792	2.2
227.09445	4.8
229.15634	1.8
230.09641	2.5
232.07571	4.3
233.08310	2.0
234.09248	6.0
236.07097	4.7
237.07861	2.1
238.08620	13.2
246.09180	4.4
248.07050	1.7
248.10883	1.3
249.07851	11.6
250.08614	21.5
251.05779	1.9
251.09532	2.6
252.10190	3.5
258.09097	1.5
262.08649	100.0
263.09134	1.9
264.10352	15.4
265.09723	3.0
266.08063	4.7
266.10483	3.1
267.11313	20.6
274.08527	7.7
275.09418	11.3
275.11996	1.7
276.10236	20.5
277.07294	3.3
277.09915	2.8
278.12381	11.8
279.11288	71.1
280.09610	7.1
281.12930	6.5
291.11285	58.2
292.09479	8.5
292.12329	1.6
293.12851	54.6
294.11230	3.3
296.13263	2.6
296.16275	1.9
302.08142	3.3
308.14096	1.4
309.12347	19.5
317.12497	1.3
319.10806	17.1
320.09161	14.5
323.14066	2.6
334.15500	21.3
336.13242	1.8
337.11801	22.6
338.09952	2.5
351.13385	2.1
352.16580	3.5
354.14447	15.6
355.12970	8.0
360.13220	1.9
372.15781	1.8
378.14487	44.5
379.12973	11.2
396.15552	50.8
397.13870	2.6
414.16583	18.0
422.13614	10.5
423.11777	2.8
440.14563	45.6
441.13116	1.9
458.15732	8.0
458.30768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Cladocalol
Peak:m/z	Relative Intensity
53.03936	3.0
55.05495	6.2
57.03441	2.0
67.05511	11.8
69.03429	4.1
69.07061	15.4
69.84875	7.9
72.91392	1.6
73.02931	2.3
79.05481	10.6
81.03407	2.9
81.07050	29.4
83.08612	7.6
85.02893	5.9
86.09724	2.5
91.05469	8.0
93.07043	30.7
95.04994	2.0
95.08607	59.5
97.02863	3.5
97.06511	2.9
97.10155	4.8
105.07021	21.2
107.07874	3.3
107.08595	46.6
109.10161	39.5
111.04369	2.0
119.08579	26.6
121.10152	36.2
121.10960	4.0
123.08039	2.5
123.11718	12.0
125.09625	2.5
131.08543	2.6
133.10136	27.6
135.11697	26.8
137.13281	4.3
145.10152	5.9
147.11694	19.5
149.09625	3.1
149.13274	22.5
151.11218	2.8
157.10107	2.8
159.11722	4.6
161.13222	14.4
163.14819	39.4
165.09081	2.7
169.65767	1.9
173.13208	5.9
175.14839	11.4
177.05417	2.5
177.16411	23.0
179.14372	3.3
184.59186	2.1
187.14792	10.6
189.16374	30.3
191.14337	4.3
191.17946	30.9
201.16354	11.1
203.17957	43.5
205.19516	11.5
207.17442	5.8
209.15254	2.8
217.19504	9.9
219.21118	2.7
221.19072	4.9
225.12451	2.5
229.19447	4.2
231.20996	12.8
233.18845	3.6
235.16931	4.0
249.18475	8.7
281.04440	23.1
287.65405	2.4
297.25677	2.5
325.07294	2.4
393.35144	8.0
411.36221	100.0
439.35956	22.5
457.07562	4.0
457.36774	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	457.3681
Annotation	Cladocalol
Peak:m/z	Relative Intensity
50.62640	1.7
50.92932	1.6
55.05525	9.1
57.03431	2.6
67.05511	13.8
69.03436	4.0
69.07076	15.6
70.06599	1.7
71.05007	1.9
71.52058	2.7
72.08141	2.2
73.02911	2.1
79.05477	7.0
81.07057	38.2
83.08617	6.6
85.02892	5.3
91.05507	10.2
93.07049	25.4
95.08613	61.9
97.02898	3.1
97.10185	3.5
98.97559	2.0
99.08073	2.6
105.07040	18.4
107.08601	45.7
109.06502	2.8
109.10161	35.3
111.08138	2.0
117.07010	2.1
119.08576	32.0
121.10152	35.6
123.08034	2.2
123.11708	11.1
125.09651	2.2
131.03131	2.0
131.08531	5.3
133.10138	26.1
135.11700	21.9
137.09601	2.4
137.13277	3.9
145.04987	2.9
145.10103	7.7
147.11696	21.0
147.13637	2.1
149.09595	2.6
149.13280	22.8
153.09084	3.0
157.10205	2.9
159.11684	7.3
161.13275	18.5
163.03957	2.1
163.14832	40.5
164.15167	2.4
173.13223	4.9
175.14827	15.0
177.16382	24.0
179.14354	3.9
187.14825	11.2
189.16403	31.7
191.17958	35.0
192.18274	2.7
192.32530	1.8
199.49503	1.8
201.16409	7.6
203.17970	47.6
204.18236	1.8
205.19524	8.4
207.17436	6.3
209.15239	2.2
213.94795	1.7
217.19482	11.0
219.17346	2.7
221.15352	2.4
221.18967	6.5
227.18005	2.3
229.19487	6.2
231.21028	11.1
233.18950	4.4
235.16946	4.5
247.17000	3.2
249.18475	5.2
249.41475	2.0
281.01401	2.8
281.04431	32.6
282.04684	2.4
325.06998	7.8
393.35287	10.7
411.36240	100.0
412.36536	4.1
439.36041	25.0
457.07541	5.7
457.24805	2.3
457.36588	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3681
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
52.94925	4.0
55.05516	14.4
67.05514	24.1
69.07072	28.3
69.30997	4.4
69.98685	9.9
69.99076	14.3
79.05476	13.9
81.07060	50.5
83.08639	10.1
85.41695	4.6
91.05499	11.5
93.07053	51.8
95.08616	91.7
97.06507	6.9
97.10183	5.8
99.08101	6.1
105.07047	40.2
107.08600	59.0
109.06524	5.2
109.10157	51.8
119.08585	54.6
121.10152	61.1
123.11712	19.3
125.09616	5.6
131.08542	10.0
132.04021	5.4
133.10133	40.0
135.11714	38.3
137.13348	7.2
145.10153	15.5
147.11703	29.5
149.13268	28.4
159.11760	11.4
161.13235	25.9
163.14841	41.2
165.12790	8.3
171.87794	4.5
173.13092	9.3
175.14876	17.1
177.16429	23.7
180.17769	4.6
185.13228	5.1
187.14912	13.3
189.16350	42.4
191.18028	37.5
199.14911	5.8
201.16399	18.8
203.14311	5.1
203.17987	56.2
205.19467	16.1
205.21556	3.9
215.18103	7.5
217.19507	13.6
221.19051	5.6
223.45546	4.5
229.19534	5.1
231.21039	13.9
249.18535	14.4
255.96881	4.5
275.19977	5.2
301.17651	4.9
332.67422	4.4
339.27744	4.1
393.35275	10.6
394.35513	5.6
411.36209	100.0
421.34967	11.0
439.36655	25.4
457.32181	14.1
457.37128	19.8
474.46548	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Bacosine
Peak:m/z	Relative Intensity
52.28476	2.5
55.05499	12.5
57.07075	5.4
67.05505	21.9
69.07075	19.9
70.06594	5.0
71.51369	3.1
71.51797	4.9
72.08151	5.2
79.05501	14.3
81.07063	69.4
83.08612	10.9
85.02882	3.4
85.06581	3.2
86.09682	4.2
91.05491	10.4
93.07054	30.4
94.13119	2.5
95.08614	100.0
97.02908	3.3
97.10179	7.1
99.04497	3.3
105.07045	19.3
107.08601	50.9
109.10155	63.5
111.08056	4.7
111.11719	2.8
119.07818	3.4
119.08589	39.7
121.06494	4.4
121.10149	33.3
123.08075	3.9
123.11705	42.0
125.09639	4.5
131.08556	8.4
133.10127	26.6
135.08066	4.9
135.11708	34.6
136.12071	3.1
137.09637	4.4
137.13268	39.3
139.07535	4.9
143.08505	4.4
145.02783	4.3
145.10139	15.6
147.11694	23.1
149.05974	2.5
149.13254	14.9
153.09103	5.6
157.10176	6.2
159.11685	10.3
161.06027	3.1
161.13240	15.5
163.14832	16.3
165.09154	4.7
171.11630	4.2
173.13316	10.7
175.14801	16.8
177.05585	6.6
177.16376	10.3
179.17924	12.9
185.13248	3.3
187.14857	9.0
189.16385	43.3
190.98367	2.5
191.10744	3.6
191.14354	3.9
191.17950	40.0
199.14767	3.5
201.16426	10.3
203.17990	42.1
205.16037	3.5
205.19537	4.6
207.17476	4.2
213.16431	12.2
215.17947	29.1
217.19508	7.1
219.13884	2.7
219.21202	3.3
221.19054	3.8
229.19545	3.7
231.21059	5.8
235.16933	8.9
247.17000	6.6
249.18474	12.3
259.16949	14.4
261.18631	19.7
269.22556	3.2
289.21539	3.7
393.35266	14.1
411.36337	30.3
439.36072	37.4
457.27338	3.5
457.37265	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3681
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.05525	14.9
57.07064	2.7
60.37845	2.2
67.05515	16.4
69.07072	20.0
69.31345	4.6
69.31741	19.6
79.05511	11.9
81.07060	38.0
81.40544	2.6
83.00193	2.5
83.08611	8.5
91.05483	19.2
93.07058	35.9
95.08610	59.7
97.06533	2.6
97.10149	3.2
98.20732	4.6
98.97651	2.7
105.07038	36.4
107.07887	4.3
107.08591	53.4
109.06520	3.1
109.10171	27.1
111.08042	3.6
113.09644	4.2
117.06983	2.9
119.07807	4.0
119.08589	44.1
121.06438	2.9
121.10159	44.9
123.08055	2.7
123.11712	16.9
131.08546	10.6
133.10147	37.9
135.11700	38.4
136.12102	2.8
137.06006	3.1
137.13223	11.3
143.08577	4.1
145.10101	13.3
147.10651	4.2
147.11702	42.9
149.09610	2.3
149.13251	20.5
151.07539	4.9
151.11188	2.8
153.09148	3.5
157.10130	4.5
159.11674	15.6
161.09630	3.5
161.13264	23.6
163.14815	12.1
165.09114	4.1
167.10718	5.6
169.02995	2.7
169.10220	2.6
171.11629	3.1
173.13293	6.9
175.14847	11.6
177.16371	7.2
179.10622	3.0
185.13278	4.1
187.14804	9.0
189.12721	6.9
189.16405	31.5
191.17964	81.6
193.12190	6.1
197.13327	2.6
201.16388	11.1
203.17973	67.6
205.19513	9.2
207.17406	6.9
211.60260	2.2
213.16458	4.2
213.99637	2.2
215.17862	3.7
216.35860	2.9
217.19514	14.2
221.18954	5.1
229.19521	4.3
231.17509	3.6
231.21066	5.8
241.19475	4.8
249.18425	12.9
255.21051	2.8
269.22586	3.0
393.35379	13.0
411.32278	15.8
411.36240	18.2
421.34671	7.7
439.35928	100.0
457.32907	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	457.3318
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
50.60413	1.0
51.02370	1.2
53.03941	2.7
55.01871	1.9
55.05514	11.5
56.96568	1.3
57.03439	3.0
57.07062	2.0
58.88953	1.1
65.03941	1.8
67.05512	24.1
67.54423	1.1
68.60883	1.0
69.03419	3.0
69.07065	10.7
69.84043	4.9
69.84413	2.2
70.06598	2.9
71.04990	2.8
71.08607	1.4
72.08161	1.5
79.05495	17.0
80.26237	1.2
81.03419	1.5
81.07061	23.5
83.04984	2.8
83.08637	6.1
84.08152	1.6
85.06567	1.6
86.09674	2.1
91.05489	19.1
93.07054	43.1
95.04966	4.3
95.08614	46.2
95.15182	1.0
96.08955	1.5
97.02892	1.3
97.06519	6.7
97.10187	4.0
98.21434	1.8
99.04469	1.4
105.07041	29.9
106.07318	1.4
107.04957	2.2
107.08603	69.4
108.08900	1.3
109.06554	5.5
109.10167	27.7
109.68145	1.0
111.08108	8.1
115.05414	1.4
117.07021	5.3
119.08589	29.8
120.09397	1.4
121.06488	6.8
121.09336	1.7
121.10158	18.6
123.08074	6.6
123.11720	9.8
125.09641	4.7
128.06223	2.0
129.06987	3.4
131.08569	12.2
133.10150	23.5
135.08087	6.2
135.11702	100.0
136.12007	1.5
137.09624	4.4
137.13280	8.1
139.07535	1.6
141.06967	1.8
142.07855	1.7
143.08556	9.9
145.02867	1.5
145.10127	15.5
147.08058	4.7
147.11696	16.5
149.09633	4.3
149.13258	5.3
151.07596	1.4
151.11212	2.1
153.12756	23.2
155.08575	3.6
157.10135	9.7
159.08067	3.0
159.11740	9.5
161.09642	7.9
161.13274	15.0
163.04013	1.5
163.11174	3.9
163.14877	5.8
165.09087	5.9
169.10141	3.5
171.08044	1.9
171.10770	1.0
171.11763	10.4
173.09665	5.3
173.13292	5.5
174.13626	1.5
175.11226	9.5
175.14847	19.9
177.05490	2.4
177.12769	1.7
177.16408	3.6
183.11690	2.7
185.13252	3.8
187.11215	4.0
187.14813	15.1
189.12752	7.1
189.16362	5.8
191.10625	1.6
191.14389	2.5
192.18391	1.4
193.12239	2.0
197.13264	3.4
199.14789	7.3
201.12807	3.3
201.16408	3.0
203.14395	2.4
203.17966	5.0
205.15900	18.6
207.13905	1.4
209.13359	1.3
211.14825	3.4
213.12740	2.9
213.16399	2.5
215.14352	7.8
215.17885	1.6
217.15865	10.5
221.13272	1.6
225.12836	1.2
227.14441	1.6
227.17989	1.6
229.12390	1.3
229.15988	1.9
231.13774	2.0
233.15353	6.7
235.16876	3.7
239.14247	1.2
239.18004	2.0
241.19649	2.2
245.15514	1.7
249.16338	1.3
251.18138	2.0
263.16467	3.3
267.17499	2.6
269.18970	2.7
285.18542	4.9
287.20056	4.2
303.19763	2.0
313.21515	2.3
319.20627	1.7
331.22662	2.7
355.22665	2.3
403.30249	5.8
421.31094	17.9
439.32108	86.6
440.32599	2.2
457.14963	1.7
457.20441	4.6
457.33136	60.4
458.33624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3677
Annotation	Cladocalol
Peak:m/z	Relative Intensity
55.05507	5.1
57.07066	4.4
67.05513	13.7
69.07064	12.5
70.90411	3.3
79.05492	8.7
81.07063	34.9
83.08600	7.5
91.05487	8.0
93.07047	23.3
95.08616	53.0
97.02887	2.2
97.10156	5.3
105.07013	16.2
107.08605	44.1
109.10162	32.8
111.08061	2.2
119.08589	32.8
121.09324	3.2
121.10146	40.5
123.08083	3.6
123.11713	13.0
131.08653	3.2
133.10139	21.1
135.11711	20.7
137.13161	2.2
141.67305	2.0
145.10129	5.6
147.11700	21.6
149.13269	22.6
153.09167	1.7
154.65405	1.8
159.11681	6.6
161.13264	16.6
163.14828	41.5
167.10692	2.1
170.73471	1.9
173.13200	4.6
175.14845	15.7
177.16394	26.9
179.14340	3.2
182.05536	1.9
187.14796	12.5
189.16393	37.0
191.17973	29.5
201.16313	6.4
203.17978	52.7
205.19656	11.4
207.17427	7.1
213.16513	2.1
215.17928	2.9
217.19563	12.0
219.17363	2.9
221.18938	9.2
229.19572	6.0
231.21043	15.5
233.18820	2.1
233.22539	2.2
235.16977	2.7
247.16908	3.1
249.18558	5.9
335.15463	2.1
393.35147	13.1
411.36270	100.0
412.36490	1.9
439.31021	2.1
439.35913	25.5
457.36917	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	456.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.6
57.07077	12.9
58.06582	1.0
65.36117	0.3
67.05515	2.5
69.07066	1.9
69.63851	1.7
70.06595	10.2
71.04967	0.6
71.08633	8.4
72.08147	0.3
73.02889	1.1
78.84760	0.4
79.05479	0.8
81.07056	3.4
83.08617	1.6
85.10181	3.0
88.07633	16.5
91.05447	0.7
93.07016	1.4
93.71619	0.3
95.08616	3.8
97.10149	1.3
101.05937	0.3
102.09180	11.7
105.06985	0.8
106.08657	0.7
107.08630	1.6
109.10143	1.7
111.08054	0.4
119.08528	0.8
121.10125	1.0
123.11692	0.7
125.86433	0.3
133.10135	0.7
135.11658	0.7
137.09579	0.8
137.13223	0.3
137.86890	0.3
145.10094	0.9
147.11655	0.8
149.13255	0.4
151.11220	0.4
156.17456	0.6
159.11766	0.3
161.13232	0.4
165.12764	0.4
171.68727	0.3
173.13199	0.4
187.14847	0.3
200.20096	45.4
201.20418	0.6
218.21143	4.5
283.26306	47.5
284.26697	0.5
439.35889	0.5
456.44113	100.0
457.36703	0.5
457.44376	1.8
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
53.03930	1.7
55.01867	3.4
55.05512	4.9
56.96547	1.1
57.03441	1.9
57.07073	2.7
57.20136	1.1
59.10740	1.1
61.02935	1.6
67.05511	9.5
69.03436	13.5
69.07078	7.0
69.47532	1.5
69.94307	2.0
69.94716	4.5
70.06589	4.9
71.05000	5.5
72.08157	4.4
73.02930	2.4
73.20557	1.4
79.05509	6.5
81.03426	7.1
81.07069	13.6
82.34173	1.1
83.04997	8.7
83.08635	4.2
84.08153	2.3
85.02434	1.8
85.02914	18.0
85.06532	4.2
86.09718	8.6
87.00829	7.1
88.09132	1.1
90.32919	1.2
91.05502	7.9
93.07050	14.6
95.04974	6.4
95.08614	21.1
97.02895	5.9
97.06531	4.5
98.97578	2.2
99.04455	4.0
99.08125	5.6
105.01874	4.6
105.07023	10.7
107.04948	2.6
107.08605	32.5
107.09311	2.1
109.02885	4.9
109.06525	45.9
109.10167	25.0
110.07216	1.4
111.08095	3.5
113.09660	1.2
115.05441	1.6
115.25329	1.2
116.07104	1.9
117.07021	2.3
119.04969	1.7
119.08582	7.5
120.08157	1.5
121.06515	5.6
121.10159	33.4
123.08072	10.2
123.11684	3.4
125.09626	11.5
127.03923	9.9
129.10236	1.5
131.08566	10.4
133.10135	14.4
135.08055	30.4
135.09019	2.4
135.11702	6.5
136.27492	1.4
137.05986	2.6
137.09610	10.8
139.11194	5.0
143.08594	2.0
145.04955	3.2
145.10143	5.5
147.04398	1.6
147.11722	10.3
149.09659	9.9
149.13292	16.3
151.11191	74.0
153.09097	4.5
158.10936	3.5
159.02917	2.4
159.11714	2.0
161.09657	2.5
163.03897	1.9
163.11273	2.7
163.14807	11.9
165.12813	6.6
167.07118	2.6
171.08051	1.5
172.53304	1.3
173.09630	1.6
173.13272	22.3
177.05484	3.1
191.14319	100.0
207.06581	1.9
209.15379	96.5
219.01865	1.3
337.07159	3.6
369.09714	2.8
371.13715	2.9
413.14783	1.6
440.17288	1.4
457.14636	19.5
457.24564	11.9
457.29538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01855	0.3
56.05016	0.3
57.03418	0.2
61.02926	0.1
61.05495	0.1
65.03922	0.5
65.29005	0.1
66.14836	0.1
69.03439	1.2
69.07028	0.2
69.81686	0.8
70.06259	0.2
70.06593	2.2
71.01337	0.2
71.06911	0.2
72.02347	0.1
72.08166	0.9
73.02919	0.3
74.10670	0.1
75.04463	0.4
81.03429	0.8
84.04495	0.5
84.08159	1.5
85.02913	1.8
86.09709	1.2
87.00804	0.4
87.04452	0.5
91.05486	4.1
97.02881	1.0
98.06026	0.2
99.04478	0.2
101.02365	0.3
105.01852	0.5
107.04974	0.2
109.02885	1.0
110.07159	0.4
112.11209	0.1
116.07098	0.3
119.04948	14.4
120.08115	0.2
120.64474	0.1
121.06527	0.7
122.06028	0.1
123.04450	0.3
125.02425	0.1
127.03936	1.3
129.05492	0.2
129.10263	0.7
137.06001	0.2
141.10201	0.2
145.02959	0.2
145.04955	0.7
147.04414	100.0
148.04729	0.4
149.05986	0.1
150.05524	0.3
152.16901	0.2
159.02928	0.3
163.03888	0.4
164.07133	0.2
177.05540	0.3
178.04951	1.8
187.07578	0.2
189.05540	0.3
190.08698	0.4
203.06967	0.1
208.09709	3.5
213.05632	0.2
215.14055	0.2
227.06955	0.2
231.06656	3.8
246.07635	2.1
249.06181	0.3
255.06679	0.5
264.08676	1.2
273.07498	1.1
277.46295	0.1
353.73248	0.1
371.04593	0.3
377.08948	0.5
394.12793	0.2
395.09729	2.3
412.14066	0.3
413.10809	2.4
436.84503	0.1
438.14124	0.2
456.15070	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	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.05508	16.0
55.19594	4.0
57.07078	4.5
62.17477	3.5
67.05501	21.9
69.07065	23.1
71.51307	7.9
72.08147	4.3
78.41062	3.8
79.05503	19.4
81.07063	72.7
83.04990	4.0
83.08599	11.2
84.08122	8.5
88.21658	4.4
91.05478	24.0
92.02258	4.2
93.07045	58.0
94.12344	3.6
95.08611	77.0
97.06519	9.0
97.10180	6.4
99.08082	4.6
101.18006	3.9
101.23716	3.8
105.07045	73.2
107.08604	84.1
109.06528	4.9
109.10176	49.3
111.08086	4.8
117.07053	9.9
119.08585	69.2
121.06500	4.7
121.10149	58.7
123.08057	5.7
123.11720	16.2
125.09562	4.2
127.66125	3.7
131.08571	65.3
133.10141	73.3
135.08047	6.0
135.11700	38.9
137.09605	5.3
137.13235	7.2
143.08577	10.4
145.10126	59.7
147.11708	66.6
149.13275	34.0
151.11191	4.8
155.08687	4.2
157.10147	17.4
158.10927	5.1
159.11694	99.8
161.13275	64.7
163.14825	59.0
165.12747	7.3
169.10141	5.3
171.11705	27.9
173.13277	100.0
175.14850	74.5
177.12732	6.1
179.14349	14.0
185.13304	25.6
187.14838	76.0
189.16397	39.8
191.17961	15.5
197.13313	4.9
199.14861	10.2
201.16402	22.1
203.14421	5.6
203.17958	29.7
205.15915	8.3
207.13826	17.6
207.17435	12.3
211.14702	4.4
213.16328	14.4
215.17976	39.7
217.19614	19.3
219.13831	17.2
221.15405	10.0
221.19016	4.7
225.16484	4.9
229.19566	9.8
233.15388	13.0
233.19057	4.9
235.16989	12.1
243.17422	5.5
243.21017	6.7
247.16956	29.1
255.21104	7.3
261.22421	4.8
275.20053	9.9
377.32053	25.9
395.33078	99.3
409.34839	6.3
423.32471	9.4
437.34464	34.5
455.35861	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.05511	12.0
57.03435	1.7
57.07066	5.8
62.64852	1.3
67.05503	16.7
69.03406	2.6
69.07066	17.8
69.21655	11.5
70.06580	5.3
71.04981	1.5
71.08642	1.7
72.08140	1.3
79.05492	13.4
81.03427	1.5
81.07058	42.4
81.84107	1.2
83.08642	8.7
83.09037	1.8
84.08154	6.9
84.17504	1.2
85.02899	4.1
85.06569	1.6
86.09698	2.4
91.05463	15.5
93.06490	2.0
93.07050	31.2
95.04950	2.4
95.08609	62.7
97.02902	2.1
97.06516	2.1
97.10151	6.0
100.11272	1.5
105.07030	45.9
107.07874	2.7
107.08594	43.7
109.10161	46.2
111.08073	3.4
111.11735	2.0
117.07033	6.3
119.08585	50.2
120.00983	1.5
120.08066	2.1
121.06516	1.7
121.10147	43.6
123.08012	1.4
123.11710	20.2
127.12334	2.2
129.07047	1.7
131.08578	21.0
133.10139	32.8
135.11705	36.4
137.13300	7.4
143.08586	4.1
144.09352	1.5
145.10123	36.9
147.11696	31.3
149.13260	24.0
151.11224	1.7
151.14844	1.8
157.10130	5.7
159.11688	25.5
161.13268	25.5
163.07565	2.6
163.14828	7.1
165.12720	2.7
169.10225	1.6
171.11674	4.6
173.13300	10.6
175.14824	27.7
177.16440	8.7
179.14322	3.2
185.13229	6.1
187.14824	21.9
189.16393	30.0
191.14293	4.3
191.17952	100.0
192.18259	1.4
193.15843	3.1
195.11755	1.4
199.14757	6.4
201.16388	30.5
203.14272	3.5
203.17961	41.0
203.19774	2.9
205.15909	23.0
205.19508	23.8
208.97372	1.5
211.14857	1.7
213.16364	2.9
215.17929	2.2
217.16031	7.2
217.19513	14.2
219.13812	3.6
219.17464	42.4
221.15353	3.7
229.15852	1.8
229.19543	2.5
231.17467	1.8
231.21141	2.5
233.15396	9.7
235.16989	4.7
241.19565	1.9
243.21255	1.7
245.15320	1.8
245.22661	5.4
247.16953	13.9
255.21028	1.6
257.22638	2.2
259.17181	1.5
301.63971	1.4
303.19406	1.4
360.55685	1.4
391.33621	2.4
401.30542	1.5
409.34683	25.8
425.34091	3.9
435.91702	1.7
437.34323	10.6
455.23090	17.3
455.35437	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	455.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99657	1.5
55.05513	10.0
57.07060	3.3
67.05508	12.9
69.07069	13.3
69.94968	8.1
79.05501	8.8
81.07053	26.2
83.08632	7.6
84.08165	2.1
91.05470	11.5
93.07050	22.2
95.08607	43.9
97.10159	3.3
98.81136	1.6
105.06400	2.8
105.07036	32.1
107.08598	32.2
109.10152	28.4
111.24947	1.4
117.07007	5.3
119.08588	49.8
121.10143	31.3
123.11732	10.1
125.05845	1.6
131.08582	15.0
133.10130	30.3
135.11693	23.1
137.13290	8.3
141.51041	1.3
143.08572	1.9
144.09335	1.7
145.10138	28.7
147.11693	24.0
149.09619	1.7
149.13249	16.7
153.09087	2.2
157.10123	4.2
159.11687	22.2
161.13261	19.6
163.07617	7.7
163.14815	7.0
169.10101	2.3
171.11725	3.2
173.13266	9.0
175.14859	15.5
177.09111	2.1
177.16400	5.2
185.13321	3.2
187.14812	15.5
189.16394	24.0
190.73332	1.8
191.01920	1.6
191.17950	100.0
197.13281	2.2
199.14793	5.1
199.24881	1.8
201.16383	41.7
203.17970	32.5
205.15866	7.8
205.19496	15.0
211.14735	2.0
213.16306	1.7
215.17966	2.7
217.15913	5.7
217.19464	9.7
219.17416	26.7
229.15872	2.9
231.21075	4.3
233.15398	7.1
235.16893	5.1
245.22658	4.3
247.16936	17.2
257.22592	2.2
259.20697	1.5
391.33737	2.7
409.34680	10.0
437.34454	9.5
455.35431	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05511	15.3
56.42218	2.4
56.96551	2.9
57.03436	3.1
57.07090	12.6
62.06116	2.9
63.78164	2.4
67.05506	22.0
69.07080	20.4
69.60146	13.8
71.08637	3.4
79.05497	22.9
81.07064	70.8
83.08616	14.0
85.10162	2.8
91.00024	2.2
91.05479	20.6
93.07045	47.3
95.08614	73.7
97.06549	3.8
97.10184	4.4
105.07041	70.9
107.08600	81.4
109.06532	3.3
109.10157	43.8
111.08099	10.2
111.11736	3.0
117.07047	7.1
119.08587	64.8
121.10147	55.1
123.08080	3.6
123.11697	18.8
125.09621	4.5
130.22786	2.6
131.08578	53.4
133.10133	64.2
135.11694	40.3
136.93126	8.1
137.13263	5.3
142.07802	3.2
143.08575	12.1
144.09360	4.6
145.09038	5.1
145.10133	53.5
147.11688	62.5
149.09628	8.9
149.13284	27.1
149.43317	2.4
151.11217	6.0
154.94168	8.2
155.08545	3.0
157.10172	17.3
158.10905	7.3
159.11705	100.0
161.13264	69.3
163.07564	3.5
163.11237	5.4
163.14838	41.2
165.12805	3.6
169.10132	5.7
171.11668	21.9
172.95293	8.3
173.13277	91.8
175.11122	2.7
175.14842	70.1
177.12729	3.2
177.16331	5.9
179.14336	5.8
183.11632	3.5
185.13249	19.6
187.14827	80.1
189.12744	11.1
189.16394	31.6
191.17990	13.0
193.12326	6.4
199.14830	5.9
201.12819	2.9
201.16396	15.2
203.14279	2.8
203.17981	28.0
205.15901	9.9
207.13847	16.0
207.17496	6.7
211.14824	3.4
213.16403	12.1
215.17973	40.3
217.19489	16.8
219.13808	22.2
219.17316	3.3
221.15411	6.9
221.18896	7.0
227.17941	4.1
228.97925	6.5
229.19560	8.2
231.21069	3.7
233.15448	10.4
233.19014	5.5
235.13286	4.5
235.16942	24.8
241.19693	4.1
243.21068	5.4
247.16937	39.9
249.18539	3.8
255.21138	5.1
261.18546	3.7
261.22168	4.2
269.22650	4.1
275.19891	6.3
282.28003	13.9
283.28265	72.7
287.23416	4.2
314.27792	16.0
315.23401	3.1
377.32043	19.7
395.28183	5.5
395.33124	92.0
409.30710	14.3
423.32516	6.9
437.34399	30.9
455.22168	3.0
455.36105	40.5
473.19809	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	455.3523
Annotation	Krukovine A
Peak:m/z	Relative Intensity
52.47420	1.1
52.61603	1.2
55.05514	2.5
57.07080	1.9
67.05495	3.3
69.07068	4.5
69.29720	3.1
69.30148	7.2
71.08616	1.2
74.06091	2.0
79.05515	5.8
81.07066	13.4
83.08619	2.8
85.06537	1.9
91.05497	4.5
93.07045	10.0
95.04982	1.6
95.08607	14.1
97.06522	2.1
98.21526	2.0
99.08093	2.0
100.17236	1.0
104.15482	1.0
105.07008	8.4
107.08598	16.0
109.10158	8.2
112.50839	1.0
115.06300	1.0
119.08577	18.9
119.09370	1.6
121.10155	9.9
123.08089	2.2
123.11712	3.3
124.93786	5.9
125.06029	6.4
125.09591	1.3
131.08572	3.4
133.06476	1.2
133.10138	17.8
135.08089	3.4
135.11700	18.0
139.07536	3.0
142.94884	1.6
143.08556	2.6
145.10124	8.8
147.11710	10.3
149.13252	2.5
151.11180	3.9
157.10175	4.0
159.08086	2.3
159.11714	4.8
161.09654	3.4
161.13257	3.7
163.14819	4.1
171.11720	3.3
173.09645	5.3
173.13217	3.1
175.11171	5.5
177.09129	2.9
185.13190	1.8
187.11163	9.4
187.14790	6.2
189.12828	1.3
189.16388	31.9
191.10707	4.2
191.17683	1.3
197.13322	4.1
205.15909	3.5
205.19527	2.5
207.17448	73.8
211.14906	2.8
215.14337	14.6
217.15872	1.3
229.15880	68.4
231.17497	9.1
233.15363	22.2
242.92690	1.3
242.95203	1.3
243.17441	3.0
247.16933	20.2
257.18979	2.7
283.20578	4.0
300.64893	1.2
340.29218	1.5
376.78146	1.1
419.33170	3.1
437.20602	11.4
437.34204	27.1
455.21915	11.4
455.35254	100.0
456.35538	1.8
462.22534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
53.03939	1.7
55.05501	4.4
57.07059	2.8
58.87192	0.8
59.27261	1.0
60.99738	1.1
67.05506	8.4
69.03458	1.0
69.07063	10.3
73.20629	0.9
78.56895	0.9
79.05508	6.2
81.06594	1.4
81.07059	23.5
83.08618	5.2
91.05472	7.3
93.07051	17.9
93.46639	1.0
95.08608	32.0
97.10171	2.4
98.21573	1.3
104.43348	1.0
105.07032	24.1
107.08589	29.9
109.06510	1.6
109.10156	13.2
117.07002	3.0
119.08580	26.4
121.09329	1.7
121.10141	16.7
123.08063	4.2
123.11700	9.4
127.11205	1.0
129.06996	1.3
131.08559	8.6
133.10135	21.5
135.08075	2.3
135.11702	26.2
137.13278	5.5
143.08556	3.8
145.10130	17.0
145.45680	1.0
147.08025	1.1
147.11691	20.0
149.09590	2.1
149.13249	10.7
153.09116	1.1
157.10107	3.8
159.11700	12.7
161.09558	1.2
161.13271	11.6
163.11143	2.7
163.14844	6.9
171.11699	2.7
173.13278	7.4
175.11351	1.4
175.14832	28.2
177.16406	6.9
183.11745	1.5
185.13287	3.4
187.14824	15.3
189.12837	2.0
189.16391	32.7
191.10690	1.1
191.17957	10.9
193.15829	2.1
197.13234	1.9
199.14816	2.3
201.16383	39.6
203.14349	9.2
203.17955	13.6
205.15871	6.4
211.14798	1.5
213.16353	3.5
215.17953	9.6
217.12190	1.3
217.15878	1.3
217.19487	2.2
219.17441	3.7
221.15350	5.6
229.19429	2.4
235.16893	1.7
239.17868	1.8
241.19490	4.1
243.17366	1.1
243.21098	2.3
247.16924	14.0
249.14813	4.2
253.19485	1.9
255.21043	6.4
269.22681	1.4
283.22870	1.2
287.19995	2.4
289.21802	1.2
301.21631	6.5
313.25534	1.4
321.25894	1.3
339.26779	3.5
358.16302	1.3
391.33685	8.0
395.29697	1.5
409.34665	100.0
410.35040	2.3
411.27225	8.6
437.34286	24.3
455.26138	14.5
455.35400	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	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.0
53.03937	1.7
55.05510	7.6
55.96866	0.8
57.07082	3.9
65.03951	0.7
67.05510	11.6
69.07071	14.5
69.28845	7.6
79.05496	9.6
81.06595	1.1
81.07063	23.2
83.08614	6.9
84.08111	1.3
91.04980	1.3
91.05487	14.8
93.06491	1.4
93.07053	25.5
95.04932	1.3
95.08611	44.9
97.10159	2.7
98.21619	0.8
99.08111	1.0
103.05487	1.3
105.07037	28.9
107.08600	38.8
109.06528	1.6
109.10162	25.0
111.08015	1.0
117.07036	4.9
119.08590	84.3
121.06514	1.9
121.10145	30.3
123.08068	1.4
123.11728	11.1
129.06961	2.0
131.08583	14.4
133.10141	32.0
135.08078	1.6
135.11694	32.0
135.12729	1.6
137.13268	4.8
139.07497	1.6
143.08571	3.6
145.02791	1.0
145.10127	26.4
147.11697	22.8
149.09549	1.0
149.13268	13.5
151.07516	3.3
151.11169	2.8
153.09093	1.1
156.09355	0.9
157.10129	3.7
159.08099	1.7
159.11711	17.2
160.12477	1.0
161.09621	1.4
161.13269	16.8
163.07562	3.6
163.14835	9.2
165.09090	2.0
169.10173	1.7
171.11662	3.9
173.09644	3.3
173.13271	10.1
175.11203	1.2
175.14832	11.5
177.05482	1.5
177.09135	2.0
177.16380	6.3
179.10645	1.8
179.14366	1.0
182.10699	1.0
183.11586	0.8
185.13243	2.9
187.11209	0.9
187.14839	18.4
189.16403	25.6
191.10654	1.8
191.14441	4.9
191.17958	100.0
192.18355	1.3
193.15848	1.2
197.13290	0.8
199.14799	2.8
201.16397	49.3
203.17975	49.2
205.12219	1.6
205.15880	1.6
205.19550	5.9
206.20009	0.8
207.13806	1.6
207.17488	1.9
211.14731	1.0
213.16412	2.7
215.14491	1.1
215.17975	8.0
217.19504	5.4
219.13763	1.7
219.17444	5.8
219.21062	2.6
221.15402	2.1
227.17949	1.9
229.15936	3.7
229.19553	4.9
231.13872	1.7
233.15393	6.4
233.19197	0.9
235.17041	1.4
239.17792	1.0
241.19485	1.6
243.21121	1.2
245.15378	1.1
247.14500	1.6
247.16954	26.7
255.21057	2.7
261.18442	1.3
267.20984	1.6
269.22726	1.0
275.20355	1.3
287.20010	3.0
313.21701	1.2
315.01865	0.8
327.23041	1.2
367.26505	1.1
391.33740	4.8
409.34631	4.4
437.34268	24.3
455.35773	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	455.3523
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
55.05516	5.5
57.07076	2.9
67.05506	6.8
67.12933	0.8
69.07064	8.6
71.21972	1.4
71.22298	1.0
72.88277	0.9
79.05502	4.3
81.07057	22.9
83.08620	5.1
88.10173	0.9
91.05476	6.9
93.07048	18.1
95.08615	32.5
97.10191	2.7
98.15628	0.8
105.06525	0.5
105.07040	24.2
107.08602	28.7
109.06523	1.6
109.10172	13.6
117.07037	1.8
119.08598	26.9
121.06578	0.9
121.10147	16.0
123.08086	3.6
123.11703	7.1
125.09649	1.1
129.07018	1.2
131.08604	7.8
133.10133	22.7
133.11105	1.4
135.08084	1.6
135.11702	22.4
137.13254	9.5
143.08582	2.1
145.10130	16.4
147.11693	15.7
149.13257	10.8
151.11307	1.2
153.09073	1.2
157.10164	2.0
159.11714	9.7
161.09680	1.1
161.13286	9.9
163.11249	1.8
163.14838	4.9
169.10092	1.5
171.11708	2.9
173.13258	6.2
175.11337	1.2
175.14839	44.0
176.15318	1.1
177.16425	5.5
179.10657	1.0
183.11728	1.1
185.13298	3.5
187.14835	10.6
189.12744	1.3
189.16394	28.4
191.17987	12.8
193.15947	2.1
197.13274	1.9
199.14903	2.6
201.16399	33.6
203.14339	11.2
203.17957	13.6
205.15875	6.8
211.14929	1.4
213.16478	3.5
215.17940	8.7
216.06172	0.8
217.15935	0.9
217.19551	2.0
219.17499	3.4
221.15381	9.5
227.18024	1.2
229.15808	1.3
229.19678	2.1
230.16718	0.9
231.17538	1.3
233.15529	0.9
239.18063	1.3
241.19513	4.3
243.21005	1.9
247.16956	12.0
249.14859	10.6
253.19658	1.1
255.21054	7.4
261.18530	1.6
267.21066	1.7
271.20593	1.6
287.20108	2.2
289.21710	1.2
299.20178	1.4
301.21573	5.0
313.21881	0.9
313.25101	2.0
339.26758	2.7
381.27908	1.1
391.33585	8.3
395.29443	1.6
409.34689	100.0
410.35156	1.5
419.33191	1.4
437.34283	23.4
455.35397	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55307	2.4
53.03943	3.0
55.05509	11.3
57.07079	4.7
67.05505	20.2
69.07072	15.5
70.06585	2.3
71.51965	3.1
79.05493	19.1
81.07059	68.8
82.56992	2.6
83.08619	12.9
84.08140	2.2
84.17796	2.2
91.05461	22.5
93.07045	45.0
95.08612	66.4
97.06516	2.9
97.10168	5.3
99.08093	3.0
99.54988	2.4
105.07032	73.0
107.08597	75.5
109.06531	2.2
109.10164	39.8
110.07163	2.1
111.05471	2.1
111.08083	4.1
111.11710	3.2
117.06997	8.8
119.08587	66.8
121.06551	3.2
121.10148	51.2
123.08060	6.5
123.11728	17.8
125.09596	4.9
129.06996	2.3
131.08566	53.9
133.10132	61.5
135.08011	2.3
135.11694	38.1
137.09621	2.8
137.13213	2.8
141.06956	2.9
143.08565	11.3
144.09349	6.5
145.09062	4.1
145.10138	49.0
147.10519	3.5
147.11690	62.2
149.13261	32.3
151.11159	7.5
155.08464	2.3
157.10123	14.9
158.10904	5.5
159.11700	92.1
161.09613	2.4
161.11993	4.9
161.13258	63.2
163.07526	5.2
163.11220	3.3
163.14819	50.5
165.12772	3.0
169.10179	5.8
171.11714	23.2
173.13272	98.4
175.14833	66.7
177.16406	5.7
179.14325	8.5
183.11710	2.6
185.13260	19.7
187.11118	3.7
187.14839	68.9
189.16373	39.5
191.14345	6.7
191.17982	22.3
193.12215	4.3
199.14807	6.3
201.16400	17.8
203.14331	3.7
203.17964	24.9
205.19572	3.9
207.13799	15.3
207.17418	9.1
211.14754	3.0
213.16370	10.6
215.17944	32.4
217.19434	11.7
219.13817	14.1
219.17389	3.6
221.15414	8.4
221.19075	7.5
229.19489	10.3
231.21121	5.3
233.15388	13.2
233.18915	5.8
235.17056	16.7
237.07722	2.3
241.19569	3.6
243.21138	4.7
247.16992	31.8
249.18512	6.3
255.21083	2.7
269.22522	3.9
275.20020	8.1
285.18396	3.6
377.32040	27.1
395.33133	100.0
405.31918	3.4
409.35034	2.8
423.32669	13.6
437.34604	28.4
455.35855	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63863	0.9
53.03939	1.4
55.05315	0.8
55.05513	9.9
57.07077	2.1
59.05032	1.0
63.86969	0.9
65.31638	0.9
67.05502	11.7
69.07073	14.7
69.37683	7.6
70.57703	0.9
77.59355	0.9
79.05489	10.4
81.06593	1.4
81.07059	23.2
83.08620	8.1
91.05476	11.2
93.07044	21.7
95.04951	1.3
95.08608	43.7
97.06564	1.3
97.10136	3.3
105.07030	36.9
107.08598	43.2
109.06534	2.2
109.10160	27.1
111.08070	3.0
111.11652	1.8
117.06995	3.2
117.34139	1.0
119.08583	64.1
121.06556	1.2
121.10145	32.6
123.08109	1.2
123.11719	8.9
125.05972	2.2
125.09644	1.7
129.07056	1.4
130.07774	1.0
131.08560	19.3
133.10130	32.7
135.08069	3.3
135.11697	25.8
137.09622	1.7
137.13257	4.1
139.07567	1.7
143.08546	3.7
144.09317	1.9
145.06528	1.2
145.10127	28.0
147.08015	1.6
147.11693	22.7
149.05963	1.0
149.09610	1.2
149.13257	15.4
151.07491	1.0
151.11230	1.3
153.09099	1.3
155.08501	1.3
157.10114	5.7
159.08084	1.2
159.11684	20.2
160.12366	1.0
161.09616	1.7
161.13257	32.9
161.14598	1.6
163.07538	7.1
163.11194	6.9
163.14792	9.9
165.09088	1.2
165.12828	4.5
169.10124	2.2
171.11656	7.3
172.12444	1.4
173.09561	0.9
173.13268	14.3
175.11240	1.4
175.14830	13.5
177.09023	2.7
177.12764	1.0
177.16371	4.3
179.14287	2.1
185.13237	5.6
187.14827	23.3
189.12743	13.5
189.16379	22.2
189.18048	0.5
191.10616	2.5
191.17947	100.0
192.18126	1.0
193.12218	2.1
197.13290	1.4
199.14867	4.5
201.16389	49.6
203.14395	2.6
203.17963	33.4
203.19418	0.6
205.12160	1.8
205.15906	12.0
205.19525	6.3
207.13805	4.7
207.17554	0.9
211.14760	1.7
213.16376	3.6
215.14282	1.8
215.17964	5.1
217.15964	1.5
217.19524	7.7
219.13844	2.1
219.17445	12.4
219.20894	1.5
225.16423	1.3
227.17873	2.5
229.15884	7.4
229.19493	3.1
231.13722	1.2
231.17371	1.6
233.15366	6.2
235.13222	6.9
239.18016	1.8
245.15431	1.3
245.22705	1.2
247.16919	19.0
249.18500	2.0
251.16420	1.4
263.16370	1.4
265.17990	6.4
267.84732	1.1
303.22906	1.3
336.24091	0.9
359.16937	1.5
372.15689	1.1
381.27969	1.3
387.25247	4.3
391.29633	3.0
391.33655	3.1
394.76678	1.0
409.30664	19.2
419.33273	1.6
437.34625	12.4
454.72656	0.9
455.30585	9.6
455.35129	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	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38239	0.9
51.94730	0.9
53.03939	1.8
55.05519	9.8
57.07076	2.2
60.45679	1.0
65.55774	1.0
67.05506	11.8
69.07066	13.4
70.20447	4.2
77.03934	1.3
79.05489	8.7
81.07061	21.3
83.08615	7.2
84.08143	2.4
84.97517	0.9
91.05494	11.5
93.07054	19.5
93.07632	1.3
95.08607	41.9
97.10177	4.3
98.21453	1.3
101.15359	1.1
101.20998	0.9
103.05454	1.1
105.07034	27.9
105.07690	2.1
107.08595	33.7
109.10162	26.5
117.07011	3.8
119.06118	1.2
119.08588	56.5
121.06576	1.6
121.10146	28.4
123.11724	8.9
129.07043	1.2
130.07800	1.3
131.08569	13.2
133.10138	28.6
135.07985	1.0
135.11700	24.2
137.13231	6.6
143.08588	3.6
144.05634	1.1
145.10132	26.6
147.11682	17.2
149.05992	1.1
149.13272	11.1
150.80617	1.0
151.07545	2.1
153.09111	2.2
157.10143	5.3
159.08093	1.7
159.10458	1.8
159.11713	19.7
161.13272	17.3
163.07544	6.9
163.11069	1.1
163.14749	6.4
165.09164	1.0
169.10100	1.2
171.11719	3.0
173.09648	2.9
173.13232	11.1
175.14821	11.5
177.09126	2.7
177.16367	5.1
183.11726	1.5
185.13229	2.3
187.11259	1.9
187.14822	18.4
189.16388	16.1
191.10693	2.7
191.17950	100.0
199.14775	5.8
201.16388	47.9
201.18279	2.1
203.14519	1.1
203.17970	32.6
205.15979	2.4
205.19508	10.3
211.14914	1.2
213.16443	3.3
215.14400	2.5
215.17982	3.0
217.15973	1.8
217.19550	7.1
219.17429	15.0
226.36292	1.2
227.18002	1.8
228.49692	1.0
229.15837	6.5
229.19482	2.2
231.17526	1.5
231.21094	2.0
233.15424	5.0
235.16978	1.6
241.19637	1.1
243.21030	1.3
245.15384	1.4
245.22638	1.3
247.16969	18.6
259.17072	1.7
265.17981	3.4
275.81018	1.0
359.14896	1.1
391.33578	3.6
395.80103	1.1
409.34729	4.0
437.29944	1.0
437.34366	11.3
455.21051	1.5
455.35248	24.8
456.35864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.6
53.24195	1.5
55.05515	12.2
57.07071	3.5
59.68984	1.4
67.05515	19.7
67.05849	2.6
69.07071	21.7
76.76225	1.5
79.05501	18.8
81.07062	76.0
82.36017	1.4
83.08613	11.0
84.08137	2.0
85.02930	2.1
85.06581	2.0
91.05485	23.3
93.07049	44.4
95.04973	2.7
95.08613	75.3
97.06519	2.9
97.10158	5.8
99.08098	2.3
103.05505	1.6
105.07038	75.3
107.08601	80.1
109.06485	2.0
109.10164	44.0
111.08088	7.0
111.11718	1.8
113.09619	3.0
117.07023	6.5
119.08593	58.2
121.10149	56.4
121.11038	2.0
123.08091	1.8
123.11716	18.9
125.09615	3.1
127.04040	1.5
129.07011	3.2
131.04933	1.9
131.07596	3.0
131.08577	57.9
133.10139	73.7
135.08087	2.5
135.11699	33.7
137.09610	2.4
137.13304	5.7
139.11200	2.1
142.07762	1.8
143.08554	11.3
144.09361	4.9
145.10133	55.3
147.11694	66.1
149.13268	28.4
151.11201	4.6
153.12764	1.6
156.09306	2.0
157.10106	11.9
158.10933	5.3
159.11702	98.7
160.12361	3.1
161.13263	68.2
163.07506	3.0
163.11252	2.2
163.14836	48.5
165.12727	3.2
169.10159	6.1
171.11687	24.9
173.13275	100.0
175.11172	2.4
175.14835	64.7
177.05508	2.1
177.12764	2.7
177.16354	6.0
179.14328	5.8
183.11688	2.6
185.13257	16.8
187.14830	75.1
189.16389	39.3
191.17973	19.3
193.12280	3.5
197.13316	2.8
199.14886	5.8
201.16408	14.7
203.14381	3.0
203.17958	20.0
205.15945	3.9
205.19504	3.5
207.13849	11.7
207.17479	5.7
211.14838	3.0
213.16360	10.2
215.14413	2.4
215.17955	31.9
217.12384	2.5
217.16006	2.2
217.19571	15.0
219.13826	14.6
219.17374	3.7
221.15388	8.7
221.19058	6.8
225.16342	2.6
227.17998	4.5
229.12016	1.7
229.19475	7.5
231.13794	3.2
231.21075	4.6
233.15334	11.5
233.19017	6.3
235.17000	14.0
241.19510	3.5
243.21248	3.5
247.14537	2.4
247.16949	29.5
249.18524	2.3
255.21176	3.8
261.18610	2.7
261.22266	1.6
269.22696	3.1
273.22128	1.8
275.20108	6.1
285.18500	2.0
287.23648	1.8
315.26932	1.8
369.19080	2.5
375.10590	3.7
375.53055	2.0
377.32101	22.9
395.33115	95.9
396.33463	2.5
405.31433	2.6
411.19806	16.8
423.32632	9.6
423.76166	1.7
437.17981	2.5
437.34384	27.2
455.18881	66.5
455.35449	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.05517	10.2
57.07072	6.2
67.05516	19.1
69.07088	19.8
69.99168	9.2
79.05494	14.4
81.07059	28.5
83.08629	13.8
84.08176	2.5
91.05489	16.5
93.07047	36.9
95.08617	56.8
97.06550	3.1
97.10155	5.0
98.21400	2.9
101.22122	2.1
105.07037	37.2
107.08603	48.9
109.06522	2.6
109.10166	33.3
111.08105	3.2
117.07038	5.2
119.08593	60.7
121.06464	2.7
121.10157	38.6
123.08055	3.1
123.11740	15.1
129.07028	3.8
131.08591	21.0
133.10135	44.7
135.08057	2.8
135.11699	27.0
137.09610	3.4
137.13249	8.5
143.08569	7.2
145.06567	2.7
145.10135	34.2
146.37851	2.2
147.08086	2.0
147.11700	23.0
149.05919	2.6
149.13252	14.8
155.08499	4.5
157.10109	7.7
159.08070	2.6
159.11713	21.4
161.09587	2.5
161.13261	23.2
163.07536	7.7
163.14812	6.2
165.09344	2.0
169.88293	2.1
171.07884	2.1
171.11708	5.9
173.09691	4.2
173.13310	11.9
175.11224	3.2
175.14844	12.1
177.09097	4.8
177.16422	4.0
179.14294	2.8
183.11630	2.1
185.13301	4.1
187.14864	27.2
189.12663	3.9
189.16418	18.0
191.10692	3.6
191.16211	4.8
191.17964	100.0
192.18449	2.4
199.14771	5.2
201.16405	46.3
203.17984	45.4
205.19563	14.4
211.14766	2.6
213.16315	4.2
215.14380	5.6
215.18025	2.8
217.15939	3.8
217.19551	7.8
219.17471	12.8
229.15887	8.2
231.13953	2.6
231.21021	3.0
233.15398	10.1
245.15382	3.0
245.22408	2.5
247.16962	18.9
257.15347	2.3
265.18015	4.2
277.17850	2.8
285.18591	2.2
391.33716	4.6
409.34576	7.7
419.29010	2.5
437.29678	6.1
437.34271	10.4
455.35120	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.5
53.26167	2.8
55.01842	2.8
55.05510	15.0
56.07410	2.4
57.07073	5.1
62.78176	2.4
65.03934	3.0
67.05514	19.7
69.03413	2.8
69.07059	17.3
70.06572	3.9
71.04995	2.8
71.52415	2.3
79.05494	22.8
81.03405	2.5
81.06593	4.2
81.07059	70.3
83.08608	10.5
84.08134	4.7
85.06526	3.2
86.09703	6.0
91.05488	30.1
91.46695	2.2
93.07043	54.5
95.04984	4.1
95.08611	86.7
97.06512	3.2
97.10149	4.8
99.08067	3.8
105.07031	83.3
107.08595	81.5
109.06517	3.8
109.09473	4.2
109.10163	51.8
111.08057	7.6
114.26306	2.3
115.05431	3.9
117.07024	11.2
119.08582	74.0
121.06510	3.0
121.09338	4.7
121.10149	58.9
123.08087	5.6
123.11740	21.3
125.09610	4.6
128.06186	2.8
129.06958	4.7
130.08676	2.7
131.08571	63.1
133.06555	3.4
133.10135	69.2
135.08051	4.8
135.11693	41.5
137.09558	3.6
137.13245	9.3
142.07709	4.1
143.08539	14.2
144.09270	5.7
145.10130	61.8
147.08002	2.8
147.11693	66.3
149.09535	2.8
149.13261	28.7
151.11201	6.5
153.12747	3.4
156.09288	2.6
157.10123	15.4
158.10916	6.1
159.11696	97.6
161.13261	74.9
163.14833	50.7
164.60396	2.3
165.08989	2.6
165.12759	2.5
169.10100	7.0
171.11705	25.8
173.13272	100.0
175.13315	3.9
175.14830	68.8
177.16402	7.2
179.14314	8.6
185.13271	15.9
187.11174	2.5
187.14821	67.3
189.12720	5.5
189.16389	40.7
191.17955	30.5
193.12270	5.9
199.14745	9.4
201.16403	20.7
203.17940	21.6
205.15930	5.7
205.19513	4.8
207.13728	14.6
207.17368	6.0
211.14908	6.6
213.16357	10.6
215.14388	4.9
215.17963	28.6
217.15883	2.7
217.19466	15.6
219.13828	9.6
219.17462	7.5
221.15401	8.5
227.17993	4.5
229.19487	5.3
231.13847	5.2
231.21078	4.5
233.15297	10.1
233.19023	4.1
235.17007	13.8
241.19460	3.7
247.16965	30.5
247.19350	3.5
247.20540	3.1
249.18251	2.8
255.21069	3.7
275.20056	5.4
283.20850	2.5
285.18442	5.5
287.03647	11.3
287.06631	3.2
289.05170	3.3
301.18015	3.4
377.32086	21.0
395.33096	92.5
405.31873	2.7
411.20050	18.3
423.32455	10.2
437.34650	19.2
455.18808	87.8
455.35693	46.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
50.62289	1.1
53.03956	2.1
55.05299	1.3
55.05519	11.9
57.07077	4.7
65.03942	1.3
67.05509	14.1
69.07066	15.2
69.70221	8.2
71.04996	2.1
79.05492	10.4
81.07063	41.1
83.08628	8.0
84.08186	1.9
91.05485	15.3
93.07053	36.6
93.07642	2.3
95.04987	2.9
95.08617	58.6
95.87848	1.1
97.06594	1.7
97.10199	3.0
101.99889	1.2
102.53119	1.2
105.07045	38.4
107.07878	2.9
107.08601	50.2
109.06487	1.9
109.10164	26.4
111.11726	1.6
113.09601	1.7
115.05466	1.4
117.07047	3.5
119.08591	51.1
121.06503	1.6
121.10155	34.2
123.08095	3.9
123.11710	17.5
131.04996	8.4
131.08595	18.8
133.10144	67.7
135.11702	39.8
137.13258	15.4
139.26543	1.3
143.08537	7.3
145.10129	30.6
147.11705	33.6
149.13263	23.0
156.97516	4.5
157.10179	8.0
159.11703	19.1
159.12889	1.8
161.09673	2.0
161.13274	16.0
163.07623	1.7
163.11240	2.0
163.14865	7.1
169.10223	2.2
171.11693	6.5
173.13289	13.2
174.98642	3.7
175.11310	1.7
175.14845	28.7
175.16275	1.7
177.16415	7.7
179.14384	4.5
179.17978	1.6
183.11807	3.9
185.13228	8.7
187.14839	19.8
189.16403	32.2
191.14352	2.8
191.17967	39.1
191.19608	2.5
193.15955	2.0
197.13266	2.2
199.14774	6.6
201.16406	36.5
203.14392	7.5
203.17986	23.6
205.15955	8.1
205.19624	3.8
209.13573	1.7
211.14879	2.3
213.00117	7.1
213.16333	6.7
215.17986	11.3
217.12569	1.3
217.19591	6.4
217.42885	1.4
219.17442	14.3
221.15475	4.2
225.16489	2.1
227.18053	4.3
229.15851	2.6
229.19641	3.5
231.10181	2.5
231.17506	3.6
231.21069	1.6
239.18082	3.5
241.19608	5.5
243.21185	3.5
247.16943	13.1
249.14832	2.8
253.19530	2.8
255.21089	8.4
257.22690	1.9
259.20584	2.2
269.22699	2.2
271.20660	2.6
273.22119	3.7
281.22513	1.8
285.22159	1.6
300.11084	1.5
301.21466	2.7
307.24442	1.4
313.25201	1.8
319.22458	1.7
323.27396	4.0
328.15585	1.7
335.25970	1.7
339.26917	3.1
391.33539	7.0
395.29752	2.5
409.34689	100.0
410.35098	1.8
419.33527	2.5
437.34244	29.0
455.20697	4.8
455.35400	67.5
456.35883	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
54.08667	0.2
55.05508	0.3
56.05044	0.3
58.71994	0.2
59.05002	1.2
60.04530	0.2
61.89785	0.2
62.01628	0.2
63.02388	0.4
69.03440	1.2
69.07058	0.2
69.73839	0.8
70.06598	2.7
71.05003	0.5
72.08149	0.9
77.03987	0.2
78.04702	0.2
79.05492	0.3
81.03438	0.8
81.07065	0.4
83.05007	0.3
83.06113	0.2
83.08673	0.2
84.04517	0.5
84.08144	2.7
85.02898	0.3
86.09715	1.2
87.04463	0.5
89.03922	7.9
91.05488	0.7
93.07059	0.3
95.08586	0.4
97.02921	0.9
99.04447	0.3
103.05490	0.6
103.87140	0.2
105.07035	0.2
106.04187	0.7
107.08587	0.4
109.02837	0.2
109.10150	0.4
110.07185	0.4
110.77030	0.2
111.04457	0.8
113.02346	0.2
115.08723	0.2
116.07069	0.3
117.03387	21.7
119.04982	0.3
120.08163	0.9
120.08833	0.2
121.06538	0.2
121.10142	0.6
125.02345	0.5
127.12316	0.5
129.05458	0.5
129.10242	0.7
134.03625	1.5
135.04448	1.2
135.08008	0.2
135.11665	0.3
137.05968	0.5
137.09746	0.3
139.18486	0.2
139.63673	0.2
145.02855	52.9
146.03171	0.4
147.04401	0.3
149.04787	0.4
149.05992	7.0
158.05994	0.2
162.03128	0.4
163.03925	0.8
177.05479	100.0
177.16368	1.2
178.05838	0.7
186.05502	1.2
213.18573	0.3
215.07069	0.5
233.99266	0.2
257.08084	0.9
261.09802	0.5
351.10532	0.7
455.15402	1.0
455.22433	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	455.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01870	1.6
55.05267	1.6
55.05515	15.8
57.03440	16.1
57.07066	5.1
65.03941	2.8
67.05508	61.4
69.03425	1.5
69.07073	17.5
69.38985	7.3
69.39400	1.9
70.06599	1.3
71.04977	1.8
71.08627	1.6
73.22456	1.2
79.05497	32.4
81.07061	58.5
83.04990	1.9
83.08642	6.8
84.08167	1.9
84.48575	1.3
85.10173	1.2
88.17702	1.3
91.05487	16.7
92.27473	1.5
93.07049	35.7
95.04957	2.6
95.08616	51.4
97.06535	2.9
97.10191	2.1
105.07040	14.1
107.08599	19.9
109.06535	2.3
109.10164	21.4
111.08097	1.9
117.07023	3.5
119.08588	14.1
120.96648	74.4
121.10153	12.0
123.11730	5.4
131.08563	7.4
133.10146	8.4
135.11691	7.8
137.09621	1.5
144.30070	1.3
145.10133	6.0
147.11688	6.1
149.13277	3.4
156.97527	10.4
159.11763	3.9
161.13316	4.6
163.11209	1.3
163.14868	2.6
165.12750	1.9
172.95239	1.5
173.13269	3.0
174.98567	10.7
175.14824	3.7
181.06487	2.2
182.06799	1.5
185.13394	1.5
187.14835	3.3
189.16403	2.2
191.18066	2.3
195.00372	6.3
201.16357	2.3
203.17978	2.6
205.15909	2.1
213.00105	12.0
220.27528	1.4
231.01027	1.4
231.17374	1.6
236.01726	1.6
257.26776	1.7
261.22067	1.5
283.28168	1.9
301.20261	4.5
313.27582	2.2
314.27628	8.4
319.21201	4.1
335.25812	100.0
357.24008	41.3
381.16928	2.6
409.34760	2.7
437.12958	3.5
437.19995	6.0
437.34070	3.5
455.21643	90.1
455.32761	3.8
455.34930	4.6
464.88858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	LysoPE(0:0/16:0)
Peak:m/z	Relative Intensity
55.05511	1.8
57.03446	3.3
57.06802	1.2
57.07080	23.1
59.72440	0.4
62.06094	25.3
67.05508	3.5
67.79079	0.4
69.07075	3.5
70.27556	1.7
71.04985	0.4
71.08639	14.6
71.78015	0.4
75.04460	0.4
81.07063	5.7
83.08634	4.7
84.22933	0.4
85.10189	7.8
89.06028	0.6
90.57967	0.5
91.59334	0.5
95.08611	8.6
97.10171	2.6
98.98479	6.6
99.11696	0.4
104.82447	0.4
109.10165	3.8
110.07908	0.4
110.98038	0.4
111.11701	0.7
114.30961	0.4
123.11709	1.5
124.01611	1.6
136.07533	0.4
138.44772	0.4
142.02667	0.9
151.14841	0.4
155.01041	6.0
173.02122	0.9
177.62527	0.4
182.00333	0.4
198.05255	1.7
210.69174	0.4
216.06357	3.0
239.23753	1.5
257.24857	0.6
282.25345	0.4
282.27924	20.3
313.27383	100.0
314.27847	1.6
317.44482	0.4
393.24036	7.9
436.28186	4.5
436.33408	0.5
454.28961	2.6
455.21017	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44156	0.3
56.56712	0.3
63.68808	0.3
65.87720	0.3
71.42086	0.4
75.23832	0.3
94.93019	1.1
108.49189	0.3
112.89613	100.0
114.89349	6.9
116.89127	0.5
117.16444	0.3
123.95152	0.3
137.32610	0.3
140.06818	0.4
156.04211	5.8
156.05396	0.5
157.04607	0.5
158.04007	0.8
162.37910	0.3
196.87875	0.5
202.89133	1.0
210.89336	0.5
212.85289	2.6
226.86781	1.2
228.86687	0.9
232.92354	0.6
246.78532	0.6
248.78186	0.4
248.89589	1.2
284.83676	1.1
306.79211	0.4
306.85635	1.1
322.82849	0.4
323.07629	0.4
344.73117	0.9
344.85770	1.8
381.07834	1.2
455.11652	38.3
456.11978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2338
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
55.01804	1.5
55.05430	6.0
55.05720	1.2
56.01352	1.0
56.04962	1.9
57.03365	0.7
58.06523	0.8
64.53422	0.6
69.03365	1.6
69.86055	2.9
70.06506	6.7
70.06918	1.5
72.08067	6.9
79.05441	0.7
83.54430	0.6
84.04423	0.8
84.08044	5.4
85.15009	0.6
86.05999	0.9
86.09621	1.7
89.03848	0.8
91.05437	1.2
94.75905	0.7
97.02808	0.6
98.05950	11.9
98.06631	0.9
98.20765	0.6
99.04375	0.6
101.07149	5.6
107.04964	10.3
107.08551	1.1
110.09621	0.7
111.06839	0.6
112.11180	0.9
113.07135	24.2
113.07874	1.2
115.05357	1.7
117.03298	2.1
117.06931	1.6
119.04884	0.9
120.05607	2.5
121.02856	3.9
121.06428	0.7
122.91264	0.6
125.09641	7.8
127.08575	2.7
129.10167	0.8
129.58440	0.6
133.06393	0.8
134.05951	1.1
136.07486	1.0
143.04916	3.9
144.05614	1.8
145.02837	5.9
145.06372	2.8
147.04295	0.8
149.05890	0.8
153.10147	1.2
155.11806	31.3
162.09143	9.9
163.03864	1.4
165.06891	0.7
167.06950	0.8
170.05853	0.9
171.04413	6.3
172.14439	7.6
177.05478	8.0
181.06320	0.6
181.10089	0.8
191.08583	4.1
194.07155	0.9
195.08023	0.7
198.12398	30.5
201.06972	0.6
207.07973	2.3
209.08009	0.7
209.09634	6.5
218.07178	0.8
219.08069	11.3
223.07451	2.1
225.09001	1.6
226.08655	6.9
229.07558	1.8
235.07610	4.1
237.09113	12.0
239.10675	5.6
247.05238	1.0
247.07555	11.2
250.06131	0.7
262.08511	0.8
263.07065	6.4
264.09991	1.1
265.08621	30.2
278.12286	1.3
290.08032	2.3
291.06470	5.8
322.14404	14.9
336.16077	1.3
347.13940	0.9
348.12305	9.3
365.14883	1.2
419.19769	1.1
436.22363	89.0
437.22549	1.4
454.23413	100.0
455.23666	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2932
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05524	3.6
57.03199	0.6
57.03446	7.5
57.07082	24.0
67.05508	6.8
69.07069	4.7
70.02946	0.8
70.03312	1.7
70.06596	0.5
71.05003	0.4
71.08637	17.2
77.07366	0.4
79.05470	1.0
79.24895	0.4
81.06606	0.4
81.07064	8.3
83.04948	0.6
83.08633	5.1
85.10188	8.1
88.07676	0.5
89.06028	1.5
91.05490	0.8
93.07045	1.7
95.08611	11.2
97.06532	0.6
97.10178	2.9
99.11713	0.5
103.07561	0.8
105.07032	0.5
107.08602	0.7
109.10169	3.9
111.11718	0.9
117.09177	0.5
119.08568	0.8
120.96623	1.8
121.10168	0.8
123.11733	2.0
123.83431	0.4
133.10168	0.5
135.11690	0.8
137.13280	0.5
149.13315	0.4
154.94176	0.7
158.34193	0.4
163.14958	0.5
172.44778	0.5
172.95226	0.8
181.06535	1.4
216.06371	0.8
225.09114	1.3
239.23770	1.5
256.26346	1.4
257.24738	1.5
282.28003	3.8
313.27390	100.0
314.27350	0.7
335.25980	2.0
357.24268	0.9
397.11292	0.4
451.61475	0.5
454.17471	0.7
454.28531	0.6
454.33615	1.7
455.21887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	0.3
63.02370	0.4
64.64580	0.2
66.39333	0.2
68.05014	0.4
69.03430	3.0
69.44743	1.5
70.06586	0.8
75.04509	0.3
78.04694	0.3
81.03394	0.2
85.02899	0.3
86.06069	12.9
86.09693	0.4
86.53676	0.2
87.04475	1.2
89.03917	8.5
91.05482	0.6
97.02895	2.2
101.06039	0.7
103.05495	0.4
106.04170	0.7
111.04483	0.4
115.03885	0.3
117.03384	24.5
119.04915	0.3
120.91014	0.2
120.98907	0.2
125.02349	0.7
127.03947	0.3
129.05467	1.0
130.05003	0.6
131.81784	0.2
134.03622	1.6
135.04425	0.9
143.03366	0.4
145.02849	59.9
146.03163	0.4
147.04407	0.3
147.06447	0.3
149.05989	8.3
162.03183	0.3
163.03870	0.7
175.06029	4.5
177.05473	100.0
178.05841	0.6
186.05478	0.9
260.11295	0.9
273.74884	0.2
278.12350	32.0
351.10635	0.7
436.15991	0.4
436.22336	0.6
454.16934	2.3
454.23346	0.8
455.15247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05504	3.2
56.05041	5.9
58.99592	1.5
60.06819	1.1
65.25742	1.1
67.05506	13.4
69.03416	2.4
69.07079	5.6
70.06593	10.8
71.04072	1.3
71.04411	2.0
71.04966	1.5
72.08154	4.2
76.02219	1.5
79.05473	7.4
81.07050	14.5
83.04992	1.2
83.08624	1.4
84.08144	5.3
85.01106	1.2
85.02906	3.5
86.09708	7.2
86.99019	2.0
88.02196	2.3
88.03974	1.3
91.05469	10.5
93.07047	12.4
95.08000	1.3
95.08604	23.2
97.02882	1.4
97.06527	2.2
98.97582	1.3
100.11234	1.3
105.00044	1.6
105.07049	13.9
107.05000	2.3
107.08578	11.0
109.10156	33.5
110.07145	1.9
114.03747	2.8
116.07124	1.7
117.03400	6.8
117.06983	2.5
119.04973	1.7
119.08572	10.2
120.08092	1.5
121.06496	6.6
121.10143	5.3
122.02724	7.6
123.08090	13.7
123.11740	1.5
129.07004	3.9
129.10263	2.2
131.05042	1.3
131.08553	9.5
132.01175	1.4
133.06412	2.0
133.10152	8.2
135.02657	2.4
135.08075	6.4
135.11684	4.9
137.06000	3.2
137.09627	29.0
139.11137	1.3
141.07062	1.4
143.08571	7.9
145.02856	16.2
145.06516	1.6
145.10150	8.7
147.04378	2.1
147.08014	2.2
147.11687	7.2
148.43694	1.3
149.04240	1.1
149.05893	1.5
149.09641	2.3
149.13297	1.8
151.07524	2.2
151.11147	1.4
155.08566	2.7
157.06444	1.4
157.10156	8.2
159.08078	2.7
159.11723	7.6
160.04289	15.7
161.09583	3.6
161.13243	3.1
162.05522	1.3
163.03902	2.8
163.05743	1.5
163.11130	1.9
164.99939	1.2
165.07173	1.7
167.07106	1.4
167.08521	2.5
169.10106	5.4
169.13419	1.3
171.11725	5.8
173.09637	3.7
173.13243	3.7
175.11177	3.4
177.05487	25.2
177.07162	1.7
179.08626	1.3
181.06618	1.2
181.10130	4.6
183.11682	5.0
185.09633	2.4
185.13264	6.0
186.05629	1.4
187.11101	2.6
187.14828	2.1
189.12833	1.6
193.10162	3.2
193.12178	1.2
195.11659	4.4
197.13283	3.3
199.11247	1.3
199.14832	4.9
201.12732	2.0
207.11728	1.9
209.13344	6.9
211.11310	1.5
211.14894	4.3
213.12784	3.9
213.16383	4.1
223.14825	5.6
225.12636	1.6
225.16359	2.6
227.14418	2.0
227.17903	2.7
239.18034	4.8
241.15904	1.7
241.19513	15.8
249.16356	4.4
251.17929	10.4
253.19589	1.7
259.17334	1.4
259.20401	2.8
264.65189	1.2
267.17401	14.0
268.84698	1.3
269.18988	34.3
273.13046	2.8
273.16708	4.7
283.15134	4.5
285.18439	1.4
287.20087	16.0
295.16898	1.6
297.18484	16.8
301.16147	17.4
315.19495	10.7
319.17230	3.4
329.15662	8.9
331.17004	1.4
333.20602	4.6
347.16812	10.9
390.21069	13.0
401.17712	1.9
418.20526	15.8
419.18866	20.2
436.21567	100.0
437.19928	5.6
450.48257	1.3
454.15045	4.6
454.22458	23.7
454.34717	2.1
463.74225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
50.49897	1.3
50.50133	1.2
53.53243	1.0
55.05510	5.2
56.36229	1.1
56.96561	1.6
57.07066	4.4
64.49481	1.1
67.05521	7.4
69.03442	1.6
69.07066	5.4
69.59963	7.6
71.89043	1.3
79.05496	6.5
81.07069	13.7
81.92801	1.1
83.05016	1.3
83.08617	3.0
85.06516	1.2
90.56121	1.3
91.05494	9.1
93.07052	20.7
95.08055	2.0
95.08617	19.5
97.10208	1.6
105.07030	27.1
107.08604	20.7
109.10155	11.8
111.08100	2.5
117.07020	3.2
119.08588	19.5
121.10150	31.5
123.11714	5.6
125.09679	2.0
129.06987	2.3
131.08569	11.0
133.10143	39.8
135.11708	10.6
136.93143	3.2
137.09686	1.3
137.13319	2.0
143.08623	4.9
145.10120	16.5
147.11705	46.3
149.13293	4.9
154.94167	3.4
155.08594	3.9
156.09396	2.0
157.10133	10.5
158.10886	1.5
158.33990	1.4
159.11690	16.4
161.09641	1.3
161.13264	11.8
163.07632	1.3
163.14854	3.5
169.10176	4.1
170.10825	1.7
171.11700	8.5
172.95287	5.1
173.13268	17.0
175.14883	5.7
177.16460	3.6
179.14357	3.3
181.12289	4.6
183.11714	5.4
184.12383	1.2
185.13263	7.4
187.14864	11.4
189.16443	5.0
190.96359	1.3
191.18021	1.6
193.12254	6.5
195.11708	2.8
197.13289	9.8
199.14815	14.1
201.16383	3.4
207.13815	19.5
209.13409	1.6
210.96817	1.4
211.14833	8.8
212.15575	1.5
213.16441	12.6
215.17999	6.7
219.13889	2.6
221.15474	2.8
223.14864	1.3
225.16432	6.4
227.17879	5.8
229.19536	1.4
233.15480	4.0
237.16316	1.6
239.17941	16.7
241.19579	8.1
245.15504	2.6
247.17012	3.7
253.19528	6.5
255.64769	1.2
259.17059	6.7
259.20718	2.9
261.22165	1.8
261.47339	2.0
267.21063	2.6
271.16873	1.6
271.21088	1.6
272.17657	1.3
273.18564	5.4
273.21442	1.5
275.20175	4.4
282.28030	2.3
285.18686	3.4
285.22229	16.5
287.20181	4.2
299.20059	12.7
301.21603	1.8
311.20163	1.8
313.21704	8.2
313.27313	2.4
339.23184	2.2
374.03012	1.2
375.30457	5.7
393.31522	8.0
410.82751	1.3
419.99942	1.2
435.32626	19.6
453.17459	3.5
453.33789	100.0
454.34442	2.5
471.18356	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05510	13.9
56.28338	1.1
57.07090	3.6
62.93452	1.3
67.05508	14.1
69.07069	18.0
69.35350	9.7
71.05003	2.0
79.05486	15.4
81.03418	1.4
81.07059	44.6
81.07526	2.2
83.04987	1.3
83.08624	10.9
84.95308	1.2
86.09724	1.4
91.05483	14.8
91.05936	1.2
93.07049	33.1
95.04950	2.0
95.08610	65.3
97.02869	1.3
97.06532	1.6
97.10201	4.4
98.20801	2.8
100.11270	2.9
101.89125	1.3
105.07032	40.7
107.08591	46.1
107.09293	2.4
109.06561	1.7
109.10155	40.6
111.08086	17.5
111.11787	1.5
117.07010	10.4
119.08578	36.5
121.06560	2.1
121.10139	42.1
123.08096	3.0
123.11712	16.6
123.12474	1.6
123.45718	1.1
125.09631	11.2
128.63284	1.2
129.07060	3.0
131.08568	15.6
133.10132	32.0
133.11081	2.1
135.11693	32.6
137.13274	11.4
142.07806	1.8
143.08589	7.5
144.09366	2.0
145.10120	21.2
147.08270	1.5
147.11693	26.0
147.12804	1.7
149.09724	2.2
149.13249	29.4
151.11249	1.6
153.09113	1.6
155.08611	3.0
157.10139	10.4
159.08075	1.6
159.11694	27.2
159.12866	1.9
161.09668	1.9
161.13278	16.2
163.11261	1.3
163.14821	16.2
169.10172	3.8
171.11780	5.8
173.09457	1.5
173.13264	24.6
173.14645	1.4
175.11200	24.5
175.14828	44.5
177.12843	2.7
177.16391	6.3
183.11684	1.5
185.13295	11.9
187.11304	2.7
187.14822	15.0
189.12743	28.9
189.16370	44.2
191.14485	4.0
191.17947	100.0
193.15990	1.3
195.11780	1.6
197.13377	3.1
199.14810	9.7
201.12827	1.4
201.16409	6.0
203.14342	22.8
203.15884	2.0
203.17960	42.1
205.19547	29.7
210.15002	2.7
215.14426	5.2
215.18040	4.0
217.15881	34.5
217.19412	13.8
219.13809	2.3
221.15469	3.1
222.10959	1.6
225.16393	1.5
229.16031	4.7
229.19621	1.5
231.13928	5.1
231.21227	1.8
233.15492	4.1
235.17012	3.0
239.18117	1.5
243.17511	2.2
245.15297	7.5
245.19070	2.2
255.17596	1.3
255.21234	2.1
259.20633	1.5
261.15024	4.0
275.16864	1.4
285.18503	7.9
289.18204	1.7
297.22400	1.5
321.86145	1.4
322.94312	1.2
337.17767	1.3
379.29828	2.7
379.34009	3.1
383.26190	1.9
407.33142	12.0
425.34491	3.1
435.33408	3.1
453.33966	75.0
453.84424	2.0
454.34061	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	15.6
67.05506	14.3
69.07069	19.0
70.68437	5.6
70.68777	3.5
72.62682	2.8
73.78233	2.6
74.43335	2.4
79.05502	17.7
81.07059	48.5
83.08611	9.9
91.05462	15.6
93.07050	36.2
93.80972	3.2
95.08614	73.3
95.50664	2.3
97.10141	4.7
105.07041	42.5
107.08608	44.9
109.10160	41.9
111.08081	17.1
117.07011	11.2
119.08586	49.1
121.10146	47.3
123.11691	19.9
125.09621	8.9
129.06995	3.9
131.08554	14.9
133.10132	31.0
135.11687	38.5
137.13240	11.0
143.08582	8.3
145.10143	18.7
147.11722	24.8
149.13261	36.4
157.10138	8.5
159.11679	38.3
161.13281	20.6
163.14836	9.4
171.11719	6.2
173.13319	18.8
175.11240	25.7
175.14836	53.6
177.12782	2.8
177.16444	6.8
185.13246	11.3
187.14845	18.0
189.12776	29.8
189.14375	3.5
189.14684	3.3
189.16379	37.0
191.17969	100.0
197.13268	4.1
199.14787	6.9
201.12686	2.5
201.16371	10.8
203.14290	27.5
203.17953	42.9
203.97276	2.6
205.19528	33.2
208.33524	3.1
215.14435	3.6
217.15886	28.5
217.19469	12.3
229.15831	5.8
231.13847	7.3
233.15372	3.1
235.17015	2.5
243.17268	3.2
245.15425	5.2
259.38495	2.7
261.14816	3.5
275.16580	3.4
357.23999	2.9
379.29895	4.8
407.32983	17.2
435.33044	3.8
453.33850	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18401	3.7
53.03933	4.2
55.05511	10.2
56.96562	5.4
57.07063	5.1
58.42506	3.1
67.05510	19.6
68.13132	3.2
69.07061	13.2
69.85940	3.8
71.34681	7.2
79.05484	15.1
81.07054	49.0
83.04972	4.6
83.08634	5.5
83.90444	3.5
89.59109	3.1
91.05470	19.8
93.07045	52.2
95.04996	4.4
95.08616	45.0
97.06511	5.7
97.37557	4.0
105.07042	69.8
107.08601	63.6
109.10165	30.1
115.05472	3.7
117.07041	7.5
119.08591	58.4
121.10149	46.6
123.08113	4.2
123.11725	8.8
125.09655	5.6
129.07018	5.4
131.08575	62.3
133.10152	75.6
135.08057	17.8
135.11670	27.3
137.09636	9.7
137.13344	4.8
143.08595	11.0
144.09317	4.6
145.10132	55.6
147.11693	76.5
149.09639	7.7
149.12216	3.6
149.13266	24.2
157.10143	13.3
159.11699	100.0
161.09671	6.2
161.13266	36.5
163.11191	28.2
163.14833	18.1
169.10197	3.8
171.11681	23.9
173.13277	64.9
175.11240	17.9
175.14835	90.4
177.12793	12.7
177.16415	10.0
179.14346	3.7
185.13293	11.5
187.14839	95.3
189.16397	15.5
191.14430	5.1
191.18007	5.4
193.12292	11.2
197.13214	4.3
199.14870	15.9
201.16490	21.7
203.14325	12.6
205.15886	58.3
207.13809	24.6
211.14801	5.8
213.16330	17.6
215.14246	9.7
215.17969	6.5
217.15828	8.0
219.13824	41.4
219.17419	22.1
221.15450	9.4
225.16254	4.5
227.17975	4.9
229.15945	4.5
231.13887	4.3
231.17419	18.6
233.15370	13.1
235.16948	31.0
245.18941	5.9
247.16998	48.6
257.18909	4.0
259.16669	4.4
267.20993	5.5
285.22250	6.6
317.17810	20.1
318.18204	11.3
319.18375	18.9
337.19589	5.6
375.30377	5.5
393.31525	67.8
435.32657	20.6
453.20090	10.4
453.28882	11.0
453.33853	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.05511	16.8
56.96569	5.6
57.07086	4.6
57.61798	1.8
67.05505	21.1
69.07073	23.5
69.81641	2.0
70.06595	4.9
70.18272	3.8
70.18636	4.3
71.05003	2.3
79.05512	14.6
81.07058	50.4
83.08634	11.2
84.08159	2.6
84.96017	3.8
86.09687	3.1
90.11121	1.8
91.05479	12.0
93.07045	38.6
95.04970	2.9
95.08612	70.4
97.06553	2.5
97.10193	6.6
98.97601	8.5
100.11250	10.5
105.07030	45.0
107.08591	49.6
109.10167	47.1
110.97578	4.7
111.08086	21.0
116.98676	2.1
117.07025	11.1
119.08589	39.8
121.10152	51.3
123.08053	4.2
123.11721	24.8
124.99105	2.0
125.09663	11.1
128.06197	2.7
128.98631	2.7
129.06950	3.1
129.10349	2.0
131.08571	17.0
133.10133	31.3
135.11699	37.3
137.09581	2.7
137.13232	13.6
142.07770	2.6
143.00209	5.4
143.08632	9.7
145.10155	23.5
147.08086	2.1
147.11699	26.9
149.09618	2.9
149.13269	33.1
157.10153	10.3
159.11720	34.3
161.01306	3.5
161.13271	26.9
163.14838	10.9
169.10155	2.9
170.10913	3.6
171.11743	6.6
173.09744	2.0
173.13266	20.0
175.11212	31.3
175.14828	47.9
175.16280	2.8
177.00710	2.2
177.12866	5.3
177.16431	6.7
182.15465	8.7
183.11713	3.1
185.13249	14.6
187.11256	3.3
187.14828	19.8
188.15227	2.1
189.12747	18.2
189.16396	36.2
189.17940	3.1
191.14371	3.1
191.17963	100.0
197.13319	4.5
199.14874	7.8
201.12836	3.2
201.16473	8.1
203.09642	2.8
203.14311	27.2
203.17964	46.2
203.19762	3.3
205.19539	33.0
209.13348	2.4
209.16544	4.0
210.14960	4.3
213.16348	3.7
215.14406	7.1
215.18144	3.6
217.15918	29.6
217.19461	11.8
219.01743	3.4
219.13834	2.9
221.15562	2.8
229.16016	5.8
231.13925	4.9
233.15466	3.9
235.16988	3.3
237.02856	3.5
245.15384	3.4
255.17540	3.5
257.19220	2.7
261.14896	4.3
275.16586	4.8
325.25674	2.5
329.20822	2.1
357.24377	2.5
369.24307	3.6
379.29913	6.4
379.34045	3.0
389.26932	2.2
389.31738	2.7
389.81644	2.2
391.16827	2.4
407.33170	17.5
425.34604	2.2
435.33636	4.4
436.31607	2.4
453.11008	21.1
453.21051	5.0
453.33896	80.1
454.33151	8.1
471.12207	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58567	1.9
55.05513	19.1
57.07074	7.3
67.05511	21.9
69.07076	25.1
70.90902	2.3
70.91234	4.2
79.05496	17.1
81.07061	55.9
83.08629	14.0
91.05488	17.6
93.07052	42.3
95.04990	3.4
95.08620	74.5
97.06547	2.0
97.10199	5.6
105.07044	49.9
107.08606	51.5
107.23623	1.9
109.10165	51.6
109.62695	1.8
111.08084	17.1
117.07010	12.9
119.08591	53.0
121.09334	3.5
121.10155	51.1
123.08091	2.1
123.11719	25.8
125.09645	8.7
128.06084	1.9
129.07008	3.7
131.08562	19.1
133.10143	34.3
135.11696	38.7
137.09746	1.8
137.13234	16.2
142.07845	2.3
143.08516	9.1
145.10141	24.0
147.11708	30.3
149.13271	42.7
155.08643	3.5
156.09366	3.2
157.10155	12.3
159.11705	34.3
160.12538	3.0
161.13275	24.1
163.14841	15.4
169.10135	3.1
171.11705	7.1
173.13284	22.1
175.11218	26.5
175.14828	58.8
177.12799	4.1
177.16417	5.7
183.11700	3.2
185.13246	11.4
185.44753	2.1
187.11191	2.9
187.14865	17.6
187.37651	1.9
189.12758	20.8
189.16400	38.4
191.14305	3.6
191.17964	100.0
197.13219	4.2
199.14798	9.2
201.12854	3.2
201.16365	8.8
203.14316	30.9
203.17976	51.4
205.19518	33.4
211.14867	2.1
213.16383	2.1
215.14359	8.6
215.17883	3.7
217.15892	27.1
217.19400	15.1
219.13853	2.1
221.15324	2.5
227.18091	2.4
229.15921	8.4
229.19524	3.8
231.13809	5.2
233.15443	4.5
235.17007	2.8
243.17528	3.8
243.21201	2.2
245.15402	6.4
255.17432	2.0
257.19064	2.9
261.14880	3.9
271.20688	3.1
275.16528	2.6
325.25467	2.1
329.21237	1.9
356.64737	1.9
357.24353	2.3
369.24286	4.5
379.30045	5.0
389.32513	2.3
407.33127	18.3
425.34113	3.9
435.32318	3.2
453.33685	88.5
454.33826	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05515	15.8
57.07076	6.1
67.05507	19.8
69.07080	19.2
70.08810	3.9
70.09206	3.5
71.08611	1.6
79.05505	14.2
81.07062	53.9
81.07536	2.8
83.08625	8.8
91.05487	16.3
93.07052	37.7
95.08614	84.4
96.08976	1.6
97.10193	8.7
98.97622	2.1
105.07035	52.9
107.08602	56.0
109.10162	47.7
111.08086	17.4
111.11682	2.2
117.07029	10.1
119.08588	49.5
121.06564	2.9
121.10154	48.0
121.11030	2.7
123.08106	3.1
123.11717	28.2
125.09622	9.2
129.07033	2.6
131.08601	17.1
133.10139	37.0
135.11696	42.1
137.13272	16.2
142.07761	1.8
143.08575	10.6
144.09343	2.4
145.10135	24.2
145.11182	2.4
147.11705	29.0
149.13264	36.8
151.11281	2.9
151.14861	1.6
155.08565	4.0
157.10136	12.4
159.11717	32.8
160.12349	1.7
161.09735	2.5
161.13269	22.5
163.11212	2.9
163.14851	12.3
169.10156	3.2
170.11026	2.0
171.11668	7.8
173.13274	25.0
175.11203	31.8
175.14828	50.1
175.16267	2.7
177.12794	3.2
177.16402	8.0
183.11728	3.1
185.13232	13.0
187.11276	2.1
187.14854	19.7
189.12776	22.5
189.14381	1.7
189.14717	2.9
189.16394	35.3
191.17960	100.0
192.18292	2.5
197.13364	4.7
199.14789	10.5
201.12822	2.9
201.16338	10.0
203.14343	26.7
203.15942	2.8
203.17967	44.1
205.15929	2.4
205.19519	33.5
211.14909	2.3
215.14401	8.1
215.18034	3.2
217.15916	27.5
217.19452	15.0
221.15343	2.3
223.14917	1.7
225.16493	3.0
227.18053	2.0
229.15912	8.8
229.19522	3.1
231.13904	7.0
231.17438	1.8
231.21144	1.9
233.15501	5.2
235.16988	3.5
243.13896	2.2
243.17442	3.0
245.15506	3.5
255.17578	3.8
261.14963	4.6
269.19168	3.2
275.16577	4.1
285.22318	2.0
343.22702	2.6
369.24347	3.6
379.30042	5.1
393.32092	1.9
407.33051	18.6
425.34067	3.9
435.32727	5.3
453.33844	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.59562	2.0
55.05515	7.7
56.22405	2.3
56.96562	2.7
57.07093	2.7
67.05505	10.0
69.07064	10.6
69.79681	12.1
79.01129	2.0
79.05506	9.3
81.07059	22.2
83.08630	7.4
91.05480	11.4
93.07050	26.4
95.08609	29.0
105.07023	33.5
107.08602	31.1
109.06543	2.3
109.10163	13.7
117.07076	3.5
119.08572	34.3
119.99288	2.2
121.06527	3.1
121.10152	30.3
123.11754	8.5
131.08548	12.2
133.10127	41.4
135.08107	3.5
135.11688	14.0
143.08606	8.8
145.10130	21.6
147.11691	49.4
148.73132	2.6
149.13306	8.2
155.08572	4.5
157.10101	15.7
159.11679	17.7
161.13293	11.5
163.03969	5.4
163.14867	6.5
164.04306	3.5
169.10138	4.8
171.11716	14.3
173.13315	16.3
175.11299	2.4
175.14864	14.0
177.16483	8.5
183.11786	7.8
185.13333	10.1
187.14859	14.7
189.16393	15.1
191.18015	5.3
193.12282	5.5
195.11743	2.6
197.13326	7.6
199.14871	18.5
201.16440	5.5
203.14346	5.1
203.17982	4.1
207.13832	13.0
211.14755	11.1
213.16380	13.1
215.18085	9.0
219.13785	4.1
219.17476	4.6
221.15445	2.8
225.16408	7.2
227.18065	8.5
233.15439	5.1
237.16290	3.6
239.17900	15.3
241.19536	8.0
247.16986	3.7
253.19702	7.9
259.17081	7.7
259.20706	3.0
271.17065	3.9
273.18665	4.5
285.19141	3.2
285.22089	12.2
287.20264	3.8
299.20233	10.1
313.21796	9.9
375.30557	5.2
393.31717	4.0
407.33334	10.6
435.32800	21.1
453.19598	5.4
453.33878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.05508	10.3
57.07062	4.8
62.74342	1.4
67.05502	15.5
69.03419	2.5
69.07072	14.7
70.28870	5.1
79.05487	13.6
81.06590	3.2
81.07055	52.5
83.08620	8.2
91.04960	2.2
91.05479	14.0
93.07041	33.1
95.04951	2.8
95.08606	60.6
97.10162	4.8
99.08076	1.5
105.06322	2.1
105.07030	43.6
107.08596	43.3
109.06531	2.2
109.10154	41.7
111.08082	15.2
116.13565	1.3
117.07003	12.0
119.08575	38.6
121.06540	1.4
121.10147	43.6
123.08102	1.7
123.11713	16.0
123.28874	1.5
125.09628	9.0
128.06252	1.8
129.07034	1.7
131.08574	18.8
133.10130	31.2
135.11693	31.9
137.13235	10.0
142.07704	2.2
143.08565	11.1
144.09366	2.7
145.10115	23.0
147.11693	24.0
149.13258	30.4
155.08568	3.1
156.09370	2.3
157.10155	11.3
159.11682	27.3
159.12891	2.4
161.09679	1.9
161.13271	16.7
163.11198	1.8
163.14807	12.5
169.10191	4.0
171.11732	8.1
173.13249	23.9
175.11197	25.0
175.14815	45.9
177.12703	2.1
177.16389	5.1
179.18025	1.7
185.13335	12.5
187.14801	13.4
189.12752	24.0
189.16383	42.6
191.17943	100.0
192.18388	2.0
197.13368	2.7
199.14816	11.9
201.12823	3.0
201.16394	10.4
203.14313	20.3
203.17952	36.9
203.19768	2.4
205.19516	25.4
207.13918	2.0
209.13304	1.9
211.14922	1.8
213.16502	2.8
215.14374	5.5
215.17984	2.5
217.15884	30.3
217.19342	8.7
219.13754	2.3
227.17963	2.6
229.15936	5.4
229.19403	2.2
231.13824	3.5
233.15404	2.7
235.16942	2.6
245.15443	4.7
245.19063	2.1
247.16925	2.1
255.17563	1.8
257.18835	1.6
261.14740	2.7
269.22824	1.9
271.20694	1.9
275.16458	2.5
297.22058	2.5
379.29846	4.0
379.33899	2.3
383.25937	2.3
389.32138	2.4
393.31580	1.8
407.33139	11.3
435.32751	4.4
453.33694	79.6
454.33420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15829	1.0
56.96570	28.8
57.07068	2.4
67.05491	1.5
69.07070	2.0
71.08611	1.1
71.95271	5.7
72.96057	1.5
73.33676	1.0
77.81884	1.1
81.07067	2.8
84.96030	1.6
91.68208	1.6
93.07036	1.3
93.63759	1.1
95.08586	3.2
96.44077	1.1
96.83627	1.1
97.96825	1.5
98.97572	2.5
105.00089	1.1
107.00587	1.1
107.08582	2.2
109.10119	1.5
110.97575	3.3
115.97788	1.3
116.98642	1.3
121.10081	1.3
123.01115	1.1
128.98607	4.2
131.00128	1.6
137.02736	1.6
146.99629	1.9
189.04361	1.6
190.88928	1.2
203.06027	1.2
239.09546	3.3
259.01740	1.1
319.19449	84.2
337.20499	100.0
355.21332	2.7
360.22110	33.5
393.23196	23.8
453.24615	1.6
453.34042	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.05519	13.7
57.07063	4.8
67.05231	1.4
67.05509	14.0
69.07064	15.9
70.00742	4.8
70.06590	3.9
71.08614	1.6
79.05499	13.4
81.06595	2.9
81.07059	50.2
83.08626	11.6
84.08130	3.5
86.09660	1.8
91.05476	17.0
93.07047	37.0
94.07369	2.3
95.04945	2.1
95.08611	63.6
97.10166	5.0
98.21436	1.9
100.11270	10.0
105.07032	46.8
107.08595	46.1
109.10161	42.5
111.04427	2.7
111.08080	18.5
115.05405	1.7
117.07018	12.9
119.08585	41.7
121.06490	2.6
121.10149	45.6
123.08035	4.1
123.11720	18.4
125.09618	13.7
128.07054	1.6
131.08575	14.1
133.10132	32.3
135.08112	2.1
135.11682	35.0
137.09598	2.2
137.13231	9.1
143.08578	9.3
144.09312	2.7
145.10118	23.1
147.11670	22.0
149.09625	1.8
149.13268	31.5
151.11150	3.9
157.10136	11.1
159.11691	27.3
160.12332	2.2
161.13263	18.8
163.11176	2.8
163.14827	13.9
169.10091	2.0
170.10880	1.8
171.11653	9.0
173.13280	27.1
175.11197	25.1
175.14835	46.0
177.05429	1.7
177.12811	2.4
177.16367	7.8
182.15411	5.5
183.11674	3.1
185.13206	11.7
187.11108	3.3
187.14833	17.1
189.12746	25.9
189.16389	47.3
191.17947	100.0
193.79045	1.7
197.13248	4.9
199.14787	8.7
201.12804	3.0
201.16423	6.6
203.14352	22.6
203.17961	39.8
205.16084	1.8
205.19521	24.0
210.14900	6.8
211.14807	1.7
213.16391	3.7
215.14252	6.0
215.17857	1.9
217.15894	31.8
217.19360	9.5
219.13750	2.0
221.15178	2.3
227.17924	3.9
229.15863	4.6
231.13751	5.0
231.21066	1.7
233.15288	3.6
235.16946	3.9
241.15561	2.0
241.19502	2.1
243.13864	2.3
243.17401	3.6
245.15259	4.5
245.19041	2.9
255.17398	2.0
261.14737	2.3
269.19363	2.0
269.22537	2.1
283.16858	1.6
297.21729	1.8
301.17926	4.1
329.21027	2.5
357.24078	1.6
369.23935	2.8
379.29764	2.9
407.33096	12.2
435.28088	2.6
445.13171	2.1
453.20978	2.6
453.34232	78.6
454.34079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1792
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
55.05507	7.5
61.02909	1.8
67.05505	13.1
69.03420	3.5
69.07056	8.4
69.45711	1.9
69.72587	9.9
70.06602	3.6
72.08129	2.5
79.05491	2.5
81.07053	14.7
83.04969	8.3
83.08610	5.6
85.02870	2.4
85.06541	2.9
86.09733	4.3
91.05480	2.3
93.07059	10.8
95.04917	2.2
95.08616	20.5
97.10215	2.4
105.07038	5.0
107.08612	17.1
109.06506	7.7
109.10165	78.1
109.59026	1.8
111.08083	3.2
117.03470	2.2
119.08591	28.9
120.08131	2.0
121.10138	9.3
123.08060	10.8
123.11697	7.0
126.27065	2.3
133.10153	15.8
135.11703	73.7
137.06018	2.1
137.09599	10.0
149.13277	5.0
151.11166	8.0
151.14778	6.8
167.07060	5.2
175.14832	35.8
178.29585	1.7
193.15886	40.8
203.05199	2.2
211.16940	100.0
229.11867	3.0
291.12106	17.0
354.53662	2.2
435.33401	2.0
446.24948	2.2
453.17264	92.0
453.34540	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	453.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01859	0.9
55.05517	9.3
57.03428	1.9
57.07074	3.4
59.04991	1.7
67.05182	1.4
67.05507	17.6
69.03436	13.6
69.07076	13.1
70.06602	7.3
71.04984	3.0
71.52110	1.8
72.08144	3.1
79.05493	4.8
81.03412	3.2
81.07058	19.4
82.06596	1.6
83.04983	10.0
83.08616	6.7
84.04502	1.9
84.08143	4.6
85.02907	9.7
85.06536	3.1
86.09708	6.1
87.08137	1.1
88.04015	1.0
90.39658	0.9
91.05495	5.3
93.07046	13.7
95.04958	1.8
95.08614	31.6
97.02897	6.0
97.06522	3.0
97.10168	2.2
99.04436	2.7
99.08094	3.5
100.11274	6.6
105.07019	7.9
107.04973	1.5
107.08601	24.7
109.02866	2.2
109.06525	10.0
109.10162	100.0
110.07173	2.2
111.08099	3.8
113.09658	1.3
116.07075	1.3
117.07064	1.2
119.08591	37.9
120.08105	2.7
121.10140	13.3
123.08072	13.9
123.11713	6.6
125.09613	1.7
127.03930	8.2
128.07135	1.2
129.10228	2.6
131.08539	1.8
133.10124	23.7
135.11699	93.5
136.07532	1.6
136.88762	1.0
137.05966	1.4
137.09631	14.9
139.11198	2.3
145.04965	2.9
145.10120	2.4
147.11649	2.9
149.09547	1.3
149.13297	8.2
151.11171	10.2
151.14822	12.7
153.12730	2.6
161.06032	1.6
165.09158	1.8
165.16415	2.9
167.07034	4.1
171.11661	1.3
175.14838	40.0
177.05415	1.2
182.15421	1.6
193.15891	61.6
203.05281	1.5
205.08559	1.5
205.12256	2.5
209.16478	1.6
210.14897	2.5
211.16942	98.6
291.11963	1.4
295.20444	1.4
328.12485	1.3
409.18552	2.7
435.28683	2.1
439.02966	1.0
453.16055	14.9
453.21640	7.2
453.29489	3.0
453.35086	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	453.1734
Annotation	3,4,5-Trimethoxy-3',4'-dithoxybibenzyl 3'-O-glucoside
Peak:m/z	Relative Intensity
51.15591	0.5
55.05493	1.8
56.05016	0.5
61.02919	0.6
67.05498	1.8
69.03408	1.5
69.07062	1.4
70.06592	6.4
70.28259	0.5
70.28596	2.0
71.04991	0.5
72.08144	2.0
73.02905	0.7
74.06042	0.6
79.05476	1.4
81.07047	2.3
83.04968	0.6
83.08635	1.0
84.04501	0.6
84.08151	4.4
85.02895	2.3
85.06541	1.0
86.09716	3.8
88.64008	0.5
91.05478	1.5
93.07035	2.0
95.04978	1.0
95.08618	3.1
97.02930	0.7
97.06506	0.7
100.11282	2.4
102.05540	0.5
105.07047	2.4
107.05002	0.7
107.08584	2.1
109.06489	0.8
109.10159	4.3
110.07162	0.9
111.08099	0.7
116.07085	0.7
116.98761	0.5
119.01880	1.1
119.08559	3.5
120.08084	1.9
121.06455	0.7
121.10128	1.5
123.08043	0.6
123.11703	0.6
127.03867	0.7
129.06932	0.6
129.10234	2.4
130.06519	0.6
133.10115	2.2
135.11714	3.7
136.07632	0.6
137.05974	1.0
137.09622	1.6
143.01936	0.6
143.03084	0.8
145.10156	1.2
147.11656	0.8
149.06021	0.6
155.08453	0.5
157.10083	0.6
159.09232	1.1
159.11652	0.6
161.03056	0.6
167.07063	2.9
175.14827	1.8
177.05434	1.8
181.04999	0.8
182.15384	0.6
185.04218	0.6
191.14424	0.6
193.15833	2.2
195.11662	0.5
200.67110	0.5
201.03760	0.5
203.05283	5.4
204.19254	0.6
209.16507	0.7
210.14902	1.0
211.16940	4.5
216.30394	0.5
229.11996	1.1
267.10764	1.2
273.11133	1.0
273.14459	0.5
285.18396	0.9
291.12085	11.9
309.11929	0.6
309.78735	0.6
333.11700	1.4
373.18750	0.5
380.02917	0.6
393.42899	0.6
409.18088	3.2
453.17224	100.0
453.34518	2.8
454.17145	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01874	1.7
55.05506	0.9
59.27489	0.7
63.21317	0.6
65.03941	4.7
67.01859	0.7
67.05496	2.4
69.76929	3.7
70.06592	4.1
71.01364	3.8
72.08148	2.6
79.05491	6.8
83.04970	2.4
84.04503	1.2
84.08140	2.5
85.02924	1.6
86.09732	3.4
87.79240	0.7
89.03897	0.8
91.05479	2.3
93.03416	4.7
94.04198	0.9
95.04978	6.3
96.02114	4.0
97.02879	1.2
97.06519	1.1
105.03425	0.7
105.04513	1.2
107.04964	10.7
108.02099	2.6
109.02847	1.1
109.06512	1.8
110.03690	2.2
110.07159	1.4
111.04448	47.1
117.03355	1.7
118.04168	1.3
119.04968	1.4
120.08123	2.5
121.02900	1.2
121.06520	3.2
122.03577	1.4
123.04446	5.8
124.05202	1.8
125.02390	0.7
125.06007	11.2
127.02637	0.8
129.10263	1.3
131.71513	0.8
133.02820	3.7
135.04417	12.4
136.01579	0.9
137.05978	5.5
138.03119	1.3
139.03914	100.0
140.04630	3.0
141.05513	1.9
144.58018	0.9
145.02861	1.5
146.03653	1.4
147.04381	3.9
149.02409	1.3
149.06006	11.3
150.03120	2.5
150.06767	2.5
151.03922	88.3
151.05034	7.7
152.01068	0.7
152.04697	3.6
153.05470	18.8
155.07053	2.8
161.05965	1.5
163.03938	9.6
165.05476	7.5
166.02588	1.2
167.03404	16.1
167.07059	14.6
171.06393	0.9
175.03871	1.2
177.05496	8.3
178.06247	12.7
179.03461	1.1
179.07022	2.1
181.04967	29.7
183.06595	1.0
193.04930	5.2
195.02896	9.1
195.06544	65.6
196.07300	9.2
197.04492	1.6
197.08173	1.2
199.06029	33.1
205.05011	2.3
207.02887	0.9
209.04460	19.2
211.06013	2.5
213.07567	1.1
221.04472	2.1
225.04016	1.4
227.05513	45.9
237.07494	1.6
239.05502	1.7
241.07097	1.7
257.06583	33.2
283.08133	4.2
327.08698	3.4
345.09546	1.4
373.09091	2.3
391.10214	1.1
453.13837	1.2
453.19998	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40956	0.8
56.96561	8.3
57.92868	0.8
61.10621	0.8
65.36065	0.8
69.03422	2.6
69.50529	1.6
69.50932	4.7
70.06591	6.1
72.08134	2.6
72.78127	0.8
76.93737	0.8
84.04489	1.4
84.08124	3.1
84.96016	3.4
85.02893	4.0
87.04461	1.8
97.02901	2.3
98.97588	43.2
102.05534	1.0
107.18267	0.8
110.07169	2.3
110.97562	11.4
112.99158	2.3
116.98629	15.3
120.08147	4.2
122.01330	0.8
124.99152	2.8
127.03938	0.9
128.98613	8.2
131.00160	1.7
133.05022	1.0
134.99651	3.1
136.07587	1.6
137.05980	1.3
140.98587	3.1
143.00189	6.2
144.98079	3.1
146.99663	2.8
152.98647	6.7
158.99677	9.9
161.01299	4.7
164.07030	1.1
170.99670	8.6
173.01205	1.0
177.00743	6.4
179.02226	1.0
182.52092	0.8
185.01167	1.0
189.00745	5.0
191.02103	0.9
201.00703	2.5
201.04300	1.5
213.00780	1.0
216.11418	1.1
219.01787	19.8
219.50294	0.9
231.01579	1.1
237.02838	25.0
241.39168	0.9
252.78728	0.9
255.03871	1.3
261.06445	11.0
279.07532	69.1
280.07941	1.0
297.08527	9.4
300.12384	1.0
302.08994	1.4
335.10287	1.0
341.39905	0.9
363.09485	1.0
393.10696	100.0
407.76520	1.0
411.11768	10.4
434.13385	2.0
453.12711	10.2
453.18347	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.1
56.07121	0.8
57.03440	5.6
57.07079	5.2
65.23499	0.7
67.05509	9.9
69.07069	19.8
69.99509	1.1
69.99880	1.3
71.08617	2.4
73.01730	0.6
79.05499	5.4
81.07059	11.5
83.08162	0.9
83.08623	9.4
93.07050	6.8
95.08616	10.2
97.06530	2.1
97.10183	5.8
98.06039	0.8
103.90716	0.8
107.08595	4.3
109.10149	2.9
111.08086	1.4
111.11729	1.7
113.25108	0.7
121.10141	6.8
123.11671	1.6
131.62999	0.8
135.11708	4.9
137.13220	1.3
149.13266	2.3
206.56888	0.9
216.06155	0.8
219.21040	1.3
237.22060	0.9
245.73175	0.8
280.26401	9.7
311.25809	100.0
312.26114	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70060	1.2
55.01860	2.7
55.05513	13.0
57.03432	5.6
57.07071	4.2
62.06091	32.3
67.05503	10.6
68.58855	0.9
69.07069	11.3
69.29393	10.0
71.08638	2.7
71.88595	1.1
79.05512	8.7
81.07063	12.4
83.08620	9.8
85.10191	1.3
91.05489	1.3
93.07049	10.4
95.08614	8.7
97.06532	14.0
97.10161	8.4
98.98469	11.7
107.08594	7.4
109.10150	5.1
111.11730	2.0
119.37437	1.1
121.10152	12.3
123.11728	2.3
129.05515	8.5
132.83742	1.3
135.11731	7.9
137.13309	2.2
142.02646	1.8
149.13258	2.1
155.01062	9.2
173.02141	2.4
183.58566	1.1
198.05270	1.4
204.58673	1.3
216.06332	4.6
219.21039	7.9
237.22127	7.0
280.26340	13.3
311.25821	100.0
391.22641	5.4
434.26773	5.9
452.27798	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	451.1635
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.61512	1.0
51.60737	1.1
53.03936	1.6
55.01879	2.1
55.05512	3.8
56.05041	1.8
57.07093	1.3
65.03943	2.0
66.89876	1.2
67.05511	5.7
69.03434	7.1
69.07073	4.0
70.06596	14.9
70.84080	1.1
70.84419	3.1
71.04990	3.3
72.08153	5.6
74.06071	1.4
79.05502	6.8
81.03455	2.7
81.07063	8.1
83.04986	2.4
84.04517	2.0
84.08152	10.7
85.02909	4.0
86.09710	9.7
89.03912	1.8
91.05497	8.6
93.07051	8.6
95.04972	9.1
95.08607	7.9
97.02893	3.4
97.06531	2.2
99.04429	3.6
103.05456	2.0
105.07037	10.9
107.04961	4.2
107.08611	18.5
108.08927	1.3
109.06516	4.3
109.10188	6.6
110.07150	3.4
111.04501	1.4
112.88309	1.2
113.02370	1.3
117.03404	4.4
117.04688	1.2
117.07037	3.7
119.04946	1.7
119.08585	5.2
120.08123	11.0
121.02867	4.7
121.06512	4.8
121.10152	18.4
122.07289	5.8
123.08105	4.2
125.09651	2.1
127.03920	2.8
129.10257	4.2
131.08575	4.8
133.02826	1.3
133.10139	100.0
134.10454	1.6
135.08055	9.1
135.11665	2.3
136.07582	2.2
137.06021	8.3
137.09627	55.9
143.08582	2.7
145.02847	9.4
145.05005	1.3
145.10127	5.5
145.58859	1.3
147.04422	2.1
147.08081	2.0
147.11642	3.2
149.09631	4.7
149.13280	14.0
151.10132	1.1
151.11153	7.0
153.09093	3.9
155.08456	1.8
158.10832	1.5
159.08029	1.8
161.09665	2.3
161.13278	1.4
163.03951	1.5
163.14854	3.0
167.07031	4.2
169.10242	1.4
171.08095	1.1
171.11603	1.5
173.09683	2.2
173.13263	12.7
177.05495	18.8
181.04955	2.6
183.11746	1.5
189.09087	1.2
191.10718	2.6
191.14305	44.5
195.06534	1.1
209.15364	15.6
218.66576	1.1
225.07578	2.2
243.17451	3.2
285.11154	1.3
303.05121	2.2
304.05408	1.6
305.05569	6.6
433.27304	3.8
451.28540	30.5
460.55927	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.6
57.81174	0.4
58.99870	1.8
65.83670	0.3
67.05488	1.1
69.07066	0.7
74.59046	0.4
77.00521	0.5
77.00912	6.2
79.05478	0.5
81.07069	1.9
91.05467	0.7
93.07033	0.8
95.01953	5.0
95.08591	1.5
98.20815	1.2
100.02477	0.5
105.07027	1.1
107.08596	0.8
109.10149	1.0
119.08603	0.8
121.10152	0.6
122.57088	0.4
123.11723	0.7
131.08629	0.4
133.10158	0.6
134.06012	0.5
137.05978	1.6
147.11694	0.5
149.13225	0.5
165.11240	0.5
173.06540	0.4
183.12263	0.9
191.12912	0.4
193.14368	0.7
207.12276	0.5
209.13820	0.5
211.15430	1.9
213.09557	0.5
217.10767	1.0
219.12273	6.0
225.13362	4.1
233.10123	0.7
235.11702	1.8
237.13364	68.8
238.13644	1.0
243.14436	17.2
248.14998	0.4
253.12730	1.9
255.14433	100.0
256.14642	2.6
260.14996	4.9
261.15485	2.3
266.16071	0.9
273.15485	9.3
278.16037	10.7
296.17188	1.0
306.62222	0.4
319.18732	0.4
451.29053	44.2
452.29355	1.4
463.22180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05303	1.0
55.05515	10.3
57.03425	5.0
57.07063	3.4
62.06093	16.1
67.05509	8.8
69.07069	16.1
71.08612	2.7
71.52312	1.1
71.52724	2.3
79.05499	5.8
80.33894	1.1
81.07063	13.3
83.08621	9.3
90.06355	1.2
91.05471	2.1
93.07061	8.0
95.08624	10.2
97.02949	1.2
97.06519	4.9
97.10150	6.4
98.06039	1.3
98.98474	4.6
107.08611	5.5
109.10153	4.5
119.08577	2.2
121.10144	8.1
123.11739	1.7
129.05510	2.7
133.10120	1.8
134.10448	1.1
135.11694	5.7
137.13199	1.5
143.51831	1.3
147.11623	2.0
149.13170	2.0
155.01022	3.7
157.10121	1.7
198.05316	1.4
216.06294	1.4
219.21042	3.2
237.22087	4.1
257.33505	1.3
280.26349	14.4
311.11307	1.3
311.25815	100.0
312.26181	1.6
370.77817	1.1
391.22455	1.9
434.26489	3.5
452.32162	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	451.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01863	2.7
55.05506	3.6
57.03434	1.8
57.07073	0.7
61.02907	1.4
62.37262	0.9
67.05489	3.3
69.03431	11.6
69.07063	3.5
69.66124	3.3
69.66546	1.3
70.06591	7.6
71.04984	1.8
72.08138	2.4
73.02908	3.3
77.56060	0.6
79.05483	2.1
79.57656	0.7
81.03422	8.5
81.07053	7.5
83.04972	2.9
83.08616	1.3
84.04472	1.2
84.08118	3.2
85.02907	17.5
86.09709	10.8
88.04034	0.8
91.05492	6.1
93.03398	0.9
93.07054	4.8
95.04958	2.8
95.08608	3.8
97.02875	2.2
97.06501	1.9
98.09679	1.3
99.04449	2.9
105.07038	5.3
107.04944	1.9
107.08593	13.8
109.02898	4.2
109.06514	8.1
109.10150	5.2
110.07161	2.4
111.04443	0.8
112.12208	0.8
116.07092	1.3
117.07004	1.3
119.08570	3.4
120.08105	19.8
121.06497	2.7
121.10146	16.0
122.07278	4.2
123.08060	4.7
123.11674	2.7
127.03941	6.3
129.10208	2.0
131.08540	1.7
133.10132	59.8
135.08066	8.0
135.11664	1.5
136.07530	1.0
137.05995	1.6
137.09619	39.3
137.13268	0.9
143.11725	1.7
145.04964	4.4
145.10098	1.9
147.04436	1.0
147.11681	2.3
149.06082	1.0
149.09615	11.0
149.13280	11.1
151.11188	28.7
161.05914	1.1
163.03903	1.0
163.06107	1.0
163.14827	1.8
165.12752	31.8
166.08611	1.2
167.07004	1.3
173.13208	5.4
177.05463	1.2
179.07040	0.8
181.05005	1.6
185.02539	0.8
191.08160	3.6
191.14316	28.7
193.15933	2.5
201.12340	2.4
207.06451	0.9
209.15367	100.0
210.15927	0.8
280.58786	0.7
281.11316	4.5
289.10284	0.8
307.12939	0.9
349.13940	1.0
368.95401	0.8
415.14893	0.8
451.15198	3.4
451.28531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72050	4.0
54.35973	4.3
55.05504	17.0
57.07081	25.0
62.12834	4.1
67.05502	22.8
68.99775	5.9
69.07069	38.6
70.06599	7.4
71.08630	11.6
79.05490	12.8
81.07050	42.7
81.39682	4.1
81.72044	3.7
83.08620	33.4
85.10184	9.5
87.00829	20.4
88.07620	6.9
93.07047	19.5
95.08610	32.3
97.06508	14.4
97.10185	26.3
102.09204	6.1
105.01836	5.6
107.08579	15.5
109.10168	21.3
111.11740	8.5
121.10110	20.2
123.11711	11.0
135.11700	13.5
137.13242	6.5
139.11156	8.0
141.88649	4.0
149.02365	20.0
149.13278	16.9
167.14339	5.9
177.16406	4.9
181.15851	4.1
193.04982	33.6
219.21065	21.1
237.22134	52.7
255.23178	46.6
284.29492	15.6
323.22159	45.7
323.94537	5.4
338.08234	4.9
341.23242	37.1
359.24579	6.3
397.26050	5.6
415.26904	100.0
450.32321	42.2
452.77414	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	451.1633
Annotation	Suvorexant
Peak:m/z	Relative Intensity
52.20781	1.2
53.03944	5.7
55.01870	12.2
55.05500	4.5
57.03439	11.0
61.02935	7.3
67.05506	3.4
69.03431	51.8
69.07065	11.4
70.06580	1.5
71.04995	4.6
71.52042	1.7
73.02913	19.4
75.56862	1.6
79.05487	6.9
81.03426	23.6
81.07047	7.5
83.08603	2.0
85.02905	100.0
87.04464	1.9
91.03956	4.3
91.05472	6.7
93.07051	7.2
95.04970	29.9
95.08616	9.3
97.02888	14.6
97.06538	5.7
99.04459	15.2
105.07050	6.6
107.05014	2.2
107.08591	11.9
109.02883	19.4
109.06516	11.5
109.10163	4.0
119.04922	2.2
119.08593	7.0
121.06503	5.7
121.10149	5.7
122.07281	2.7
123.08069	17.9
123.11774	1.7
127.03916	51.6
131.08551	2.6
131.48099	1.6
132.58655	1.4
133.10097	6.6
134.29399	1.4
135.08063	40.3
135.11652	3.0
137.05975	6.3
139.07529	3.4
143.08585	2.1
145.04974	39.7
145.06154	2.0
145.10123	2.4
147.11681	10.2
149.09641	3.3
149.13200	2.2
151.07524	1.6
159.11641	1.5
161.13248	2.4
163.03854	1.9
163.06036	7.4
163.11243	2.6
163.14857	2.6
165.12759	81.8
167.06982	2.3
173.13297	3.9
175.14778	2.7
176.11998	2.2
177.12711	2.1
181.04991	2.0
189.12810	1.7
191.14313	89.8
193.15891	3.0
195.06544	2.2
203.10477	1.3
207.13818	9.7
209.15361	61.4
225.00690	8.4
225.07539	3.0
231.48067	1.5
243.01686	2.9
259.09665	2.0
261.95819	1.4
309.16968	5.1
327.18018	5.8
338.63824	1.4
371.20676	57.6
389.12589	3.5
407.13727	13.1
451.16272	41.3
451.22427	3.4
451.32367	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.4
55.01867	9.2
55.05508	4.7
57.03429	4.1
57.07075	4.5
58.74490	2.1
58.88135	2.0
61.02917	5.5
67.05493	5.1
67.68675	2.0
68.99780	3.6
69.03443	32.8
69.07078	15.8
70.06597	4.9
71.04986	3.9
71.51940	2.4
73.02906	9.6
73.03265	2.0
79.05486	9.2
81.03419	35.3
81.07071	15.7
83.08636	4.9
84.08165	2.8
85.02912	94.0
86.09715	2.6
87.00837	37.9
87.04519	2.8
89.87961	2.3
91.05473	10.3
93.06493	3.3
93.07054	43.2
94.84988	2.2
95.04964	4.1
95.08617	15.9
97.02898	59.4
99.04468	17.4
105.01865	34.4
105.07034	7.5
105.61624	2.3
107.08607	41.6
109.02893	26.5
109.10184	2.7
115.03915	2.3
117.01858	6.1
119.08613	4.0
121.06494	3.9
121.10152	23.7
121.48309	2.0
123.11721	11.0
127.03925	68.3
129.01811	6.1
131.04938	2.6
131.08572	2.9
133.10153	2.5
137.06032	4.4
138.05498	7.9
145.02995	2.5
145.04977	41.4
147.02933	2.8
149.06015	5.2
149.13272	100.0
159.02917	20.5
159.11790	2.2
161.13297	3.5
167.14333	19.6
175.07500	2.7
177.05453	3.4
183.12036	2.6
184.07278	4.1
213.00665	2.8
231.04921	11.6
232.23024	2.3
241.79796	2.4
275.16507	2.9
405.01126	2.2
450.32678	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	450.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01870	5.3
55.05502	12.2
56.96555	2.9
57.03419	3.0
60.80962	2.0
67.05157	2.2
67.05503	9.5
69.03423	6.8
69.07072	14.4
69.83576	4.2
69.83994	8.0
70.06591	24.5
71.04987	3.6
71.06889	2.4
72.08152	9.1
79.05500	10.2
81.03434	5.3
81.07054	44.4
83.04983	16.9
83.08618	8.4
84.04535	3.0
84.08136	9.5
85.02907	13.1
85.06541	11.8
86.09702	30.3
87.10056	2.8
91.05496	15.4
93.07051	30.6
94.07410	2.0
95.04987	5.0
95.08598	25.7
97.02892	4.7
97.06531	9.7
97.10188	3.6
98.20845	2.6
98.97575	3.0
103.05454	4.3
105.07040	52.4
107.04969	4.6
107.08596	17.9
109.02880	4.0
109.06523	8.8
109.10125	7.2
110.07170	4.5
111.04475	4.6
111.08092	35.4
117.07021	3.3
119.04972	2.7
119.08599	24.8
120.08145	11.2
121.06500	16.2
121.10147	15.4
123.08080	5.1
125.06013	3.6
125.09651	5.3
127.03957	2.8
127.07549	2.4
129.05495	24.8
129.10223	4.1
131.08534	2.8
133.10149	17.3
135.08060	3.9
135.11716	4.7
137.05991	6.9
137.09644	3.2
137.13254	13.5
139.07539	13.1
141.35408	2.1
143.07100	4.2
145.02884	2.3
145.10141	5.6
147.04404	3.9
147.11728	14.2
153.09056	4.4
157.08614	100.0
157.09991	5.9
159.11740	10.2
161.13263	81.4
163.03920	4.5
163.11197	3.9
165.09137	5.5
167.03412	12.9
167.07042	4.6
168.03734	9.5
171.10201	2.4
171.11671	4.2
175.11209	5.2
177.05429	5.1
179.14291	13.6
181.05089	3.4
184.07344	4.6
189.12779	5.5
189.16380	7.6
193.12297	4.2
199.11182	6.2
207.13811	4.4
217.12239	13.7
217.15790	11.7
233.90605	2.2
235.13361	23.7
235.16927	40.3
237.02805	2.0
246.13142	2.3
253.14362	23.6
253.17979	9.3
260.61502	2.3
260.64520	2.1
287.09003	4.0
288.09488	8.3
303.15149	2.5
309.83643	2.3
450.14453	2.2
450.28745	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	450.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
53.48051	0.5
55.01866	0.8
55.05515	5.3
56.05026	0.6
57.03435	1.7
61.02921	1.9
61.92227	0.5
62.06086	5.5
63.01213	0.6
68.88457	0.5
69.03434	7.0
70.06596	8.6
70.62724	0.8
70.63062	0.9
71.05012	1.0
72.08159	14.8
73.02917	1.2
73.06563	6.0
81.03429	2.9
84.04506	1.8
84.08141	2.9
85.02911	15.0
86.06074	0.7
86.09719	3.9
87.04476	0.9
88.04052	0.6
90.09203	14.3
91.03988	0.7
91.05501	1.0
93.07049	0.8
95.04999	0.6
97.02885	5.3
98.06028	1.0
99.04440	1.2
100.22658	0.5
102.05476	0.7
107.04955	1.0
109.02898	1.8
110.07169	1.6
111.04440	1.5
112.11185	0.5
115.08695	0.5
117.07005	2.5
119.04971	0.5
120.08128	3.8
121.06484	0.7
123.04456	1.9
124.07586	0.6
125.01559	5.6
127.03931	3.5
129.10266	1.6
131.08565	0.8
135.04425	3.7
136.05179	1.6
136.07571	1.0
137.05981	2.4
145.02878	0.6
145.05016	2.1
147.04453	0.6
149.05966	1.0
153.01007	5.2
163.03902	2.3
163.07687	0.6
164.07077	0.6
171.02086	33.8
175.06068	0.7
177.05615	0.5
177.09117	0.6
201.12463	0.5
204.10483	0.5
223.09575	0.6
228.04237	0.7
260.33826	0.5
270.08911	16.1
287.05557	1.5
288.06174	2.3
288.09943	62.4
289.10199	0.8
330.20166	0.5
397.14801	1.0
450.17374	100.0
451.17575	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1761
Annotation	Lycorine-1-O-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01867	1.6
55.05521	0.9
56.05048	1.1
56.96580	1.3
57.03428	1.5
57.55943	0.9
60.04519	1.2
61.02919	2.3
68.05035	0.9
69.03428	7.3
70.06604	11.0
71.51538	1.7
72.08155	3.3
73.02910	1.0
73.60160	0.8
74.06084	2.0
81.03416	2.4
84.04522	3.0
84.08144	3.9
85.02907	12.5
86.06078	3.8
86.09723	8.4
87.04478	1.7
87.10051	1.1
91.03979	1.4
91.05485	2.7
97.02884	6.9
98.97596	1.1
99.04410	1.4
107.04957	1.5
109.02860	2.1
110.07202	2.1
112.08724	2.7
115.05457	4.2
117.03368	1.4
118.08632	1.6
119.04964	1.8
123.04435	35.9
127.03951	3.0
129.10277	1.5
132.10219	1.1
133.06459	1.2
135.04439	2.0
136.07590	2.3
137.05968	6.4
143.04919	12.2
143.05995	1.1
145.02884	3.1
145.04982	1.0
146.06061	1.3
147.04454	1.1
149.00616	0.8
149.05974	1.1
151.07567	1.6
152.07068	1.0
161.05995	23.9
161.07274	1.6
162.06656	0.9
163.03934	2.9
164.07076	100.0
167.07129	1.3
173.09273	3.8
177.05440	4.5
181.03278	0.9
199.04364	1.2
200.64615	0.8
207.08098	1.3
219.13405	1.1
225.09155	1.2
233.09183	0.8
253.08693	1.2
271.09631	12.6
288.08951	3.6
288.12213	21.1
450.17719	85.0
451.18213	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	7.0
61.02931	8.6
69.03423	7.7
70.06601	17.1
71.30583	8.8
71.30970	11.4
72.08157	52.5
73.07775	6.5
84.04508	13.7
84.08144	17.3
85.02906	31.2
86.09705	31.1
92.90752	6.8
97.02930	11.3
97.68069	6.8
100.07635	7.0
102.05558	13.6
106.05039	9.9
109.02901	11.5
118.08667	74.1
132.90652	7.9
135.04413	13.3
137.06017	10.5
163.03888	9.3
171.02089	18.8
206.11809	23.4
218.52335	7.7
223.14557	9.7
228.04181	7.5
243.11969	9.7
270.08954	28.5
287.11600	35.3
329.11792	6.9
392.93542	7.5
449.11551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3629
Annotation	CHEBI:70532
Peak:m/z	Relative Intensity
55.05502	37.4
56.97478	6.5
57.07066	30.0
67.05494	46.3
69.07073	39.9
71.05003	8.6
71.08638	33.5
71.53203	11.2
73.85893	6.8
77.22483	7.7
79.05482	26.8
80.05355	7.4
81.07063	72.6
83.08621	29.4
85.10180	12.3
91.05482	24.1
93.07048	32.6
95.08608	83.4
97.10175	23.4
98.21162	6.9
99.24628	7.4
105.07032	46.7
107.08588	55.0
109.10184	41.9
111.11729	10.2
112.99984	9.9
115.03970	7.7
117.06952	6.7
119.08601	39.5
121.10141	40.2
123.11691	21.4
129.12927	7.0
131.08591	35.7
133.10173	31.6
135.08105	9.5
135.11691	26.7
137.05952	8.3
137.13266	12.8
143.08597	10.1
145.10179	43.3
147.11694	30.5
149.13271	16.3
155.06999	12.8
157.10146	11.7
159.11681	27.9
161.13220	19.7
163.14854	15.8
165.09200	9.7
171.11691	16.7
173.13275	11.7
175.14799	7.2
185.13268	10.9
187.14819	9.3
189.16373	11.7
191.10643	15.3
193.19485	7.5
203.17828	10.2
219.13742	13.5
242.60991	6.6
287.20145	10.3
302.02740	7.3
327.30444	10.5
327.59348	6.8
329.32047	26.2
337.27673	14.8
369.29770	100.0
413.34189	63.0
431.35178	82.4
449.31082	23.3
449.40027	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.07075	4.5
57.94733	0.3
59.48490	0.3
62.09404	0.3
65.03931	1.0
67.05520	1.6
68.44650	0.3
69.07057	1.1
69.46977	0.7
69.47391	1.3
71.08291	0.4
71.08638	3.4
79.05495	0.7
80.71590	0.3
81.07074	2.1
83.08617	1.1
85.10176	1.5
91.05485	14.6
95.08614	2.3
95.91676	0.3
97.10183	0.6
106.04214	0.4
109.06518	0.9
109.10148	0.5
119.04951	8.7
123.11752	0.6
137.05981	100.0
138.06319	0.4
154.08635	42.0
412.22742	0.5
448.20157	0.8
448.37897	17.0
454.45914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	5,7,2',6'-Tetrahydroxyflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
53.03936	0.5
55.01850	0.7
55.05494	1.0
56.05017	0.8
57.03414	0.6
61.02930	6.5
67.05481	1.0
68.99788	0.6
69.03425	1.9
69.07057	0.9
70.02958	0.3
70.06216	0.4
70.06596	7.0
71.52233	0.5
72.08162	2.9
73.02923	1.9
74.01373	0.3
74.06052	0.7
79.05481	0.7
81.03392	1.3
81.07032	0.8
83.04997	0.4
83.19501	0.3
84.04505	2.4
84.07703	0.4
84.08144	4.7
85.02447	0.4
85.02906	6.6
86.09225	0.5
86.09708	6.0
87.04447	0.5
87.05577	0.4
88.03973	0.9
91.03519	0.3
91.03966	3.2
91.05474	1.1
93.07058	0.8
95.04937	0.4
95.08588	0.7
97.02302	0.4
97.02890	4.1
98.06018	0.4
99.04430	0.6
102.05541	0.7
103.05460	0.6
104.05327	0.5
105.03345	0.5
105.07006	1.3
107.04953	0.6
107.08590	0.7
108.08034	0.4
109.02888	0.7
109.06532	0.6
110.07182	1.9
111.00789	0.6
111.04444	0.4
111.08050	0.4
112.08747	0.4
113.02398	0.3
116.07096	0.9
117.06980	0.5
119.04964	0.6
119.08607	0.5
120.08137	2.0
121.02868	3.8
121.06489	0.8
121.10146	0.7
123.04390	0.5
127.03974	1.5
127.04800	0.4
129.10239	2.0
130.06517	2.1
131.08540	0.8
133.02852	0.6
133.06488	0.6
133.10133	0.8
135.04387	0.5
135.08038	0.4
137.02327	0.9
137.05969	1.2
143.08543	0.5
145.02794	0.4
145.04962	0.8
145.10153	0.4
146.10489	0.3
147.04405	1.2
151.03908	3.2
151.07610	0.3
153.01822	4.6
153.05455	0.4
157.06496	0.5
157.09962	0.5
158.05988	0.5
159.11722	0.4
163.03883	1.2
163.11159	0.3
164.07199	0.4
165.01892	1.5
167.03307	0.7
167.07040	0.6
171.04440	0.4
175.06021	0.4
175.08711	0.7
176.79471	0.3
177.05537	0.5
181.04948	0.7
183.02878	0.8
185.04285	0.5
185.05840	0.7
187.07431	0.6
213.05447	1.4
231.06503	0.9
241.04965	0.9
243.08768	1.3
244.09576	2.6
245.04431	0.8
258.05261	1.3
259.05838	0.3
280.15195	0.3
287.05508	100.0
287.12460	29.9
288.05817	1.3
290.11334	0.6
318.10736	0.5
351.89221	0.4
361.55209	0.4
368.53448	0.3
378.15399	0.8
379.16132	1.5
449.17822	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	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.4
55.05515	6.3
62.91262	4.5
64.77414	3.8
67.05509	8.1
67.75991	4.7
69.03414	12.9
69.07070	15.9
69.10484	3.8
70.06593	27.0
72.08142	11.4
72.88835	4.2
79.05505	20.4
79.15989	3.8
81.03460	3.9
81.07068	21.9
83.04980	30.3
83.08628	4.0
84.08145	13.4
85.02894	12.9
85.06532	6.5
86.09705	17.8
91.05489	15.5
93.07042	31.3
95.04974	12.2
95.08617	10.0
97.02902	5.3
97.06540	36.9
98.97567	4.1
99.04468	11.0
105.07041	39.3
107.04967	10.6
107.08619	25.5
109.06548	21.3
117.07048	8.8
119.04943	16.0
119.08590	14.4
120.08095	9.0
121.06525	31.2
121.10154	9.1
123.08080	5.4
123.31446	3.9
125.05994	59.2
127.03922	5.0
127.07540	14.4
129.10245	7.4
131.08553	12.7
133.06465	8.4
133.10112	9.0
137.05977	10.8
139.07541	10.9
143.07066	46.4
143.08583	9.7
145.02849	4.9
145.06487	9.5
145.10127	73.4
147.11679	11.7
150.09186	4.5
151.07552	8.3
157.08607	18.1
158.07220	5.4
159.11693	34.3
161.09558	6.2
161.13182	5.9
163.11211	66.9
169.10117	6.9
173.09641	50.0
177.05505	7.2
177.12793	10.5
181.05034	5.5
187.11205	52.7
191.10706	20.0
197.09656	6.6
205.12260	60.3
209.11700	6.7
215.10696	83.9
219.01837	5.4
223.13301	17.4
233.11745	100.0
251.12836	77.2
251.15450	5.3
251.16623	7.2
269.13843	51.6
309.12198	5.6
451.25186	4.4
474.83932	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03691	1.8
53.03935	2.5
55.01863	3.0
55.05513	3.7
59.16338	1.5
61.94131	1.6
67.05501	7.5
69.03418	6.8
69.07059	8.8
70.06581	7.9
71.04990	5.3
72.08150	3.8
74.45266	1.5
79.05496	15.1
81.03419	3.3
81.07051	15.6
83.04977	18.3
84.08109	3.7
85.02914	9.4
86.09697	3.2
88.04009	1.7
89.02297	1.5
91.05476	12.5
93.07044	28.7
95.04970	9.4
95.08595	12.4
97.02895	3.6
97.06538	18.1
98.21510	5.0
99.04465	8.0
105.06406	2.3
105.07037	31.6
107.04954	13.3
107.08595	20.4
109.06522	14.9
109.10159	2.4
111.04446	2.5
111.08047	3.2
116.06320	1.5
117.07036	8.4
119.04935	7.5
119.08579	9.3
120.08096	4.8
121.06509	22.9
121.10150	3.7
123.04458	2.6
125.05996	28.6
127.07512	1.9
129.07002	3.7
129.08913	1.6
129.10178	2.0
130.07780	3.5
131.08551	10.1
133.06470	5.9
133.10101	2.6
135.08070	8.7
135.11671	10.2
137.05978	21.3
139.07538	5.6
141.07013	2.4
143.07025	21.7
143.08560	5.7
144.09341	3.3
145.04893	1.7
145.06476	6.4
145.10129	53.6
147.08035	2.3
147.11685	8.3
149.06007	3.0
151.07536	3.9
153.09084	2.0
155.08510	3.2
156.09181	1.7
157.08612	6.2
157.09883	1.5
158.07202	4.2
159.08026	4.9
159.11696	24.8
161.05751	2.0
161.13243	4.8
163.11185	77.9
169.10135	6.8
171.07988	2.4
172.08728	1.7
173.09630	41.1
173.11053	3.1
175.08740	2.1
177.12755	4.2
179.08583	3.7
181.12285	9.2
182.07272	2.0
187.11157	31.1
189.12721	5.6
189.14964	1.5
191.10692	23.6
197.09622	11.9
205.12241	24.5
209.11708	8.6
215.10690	46.8
217.72110	1.7
223.13281	2.1
227.12761	11.6
233.11726	100.0
251.12785	86.5
269.13791	21.6
286.07947	1.9
290.10706	1.7
404.03003	1.7
450.73743	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.4
57.03164	0.8
57.03442	11.7
57.07081	31.5
61.94577	0.7
66.84394	0.6
67.05509	7.4
69.07066	5.3
69.38780	5.5
71.08636	18.9
79.05479	1.0
81.07069	9.8
81.15621	0.8
83.08636	6.1
85.10194	11.3
89.06040	1.9
95.08611	11.8
97.10178	2.6
103.07588	1.7
107.08623	0.8
107.97697	0.7
109.10172	6.4
109.99700	0.6
111.11720	1.1
123.11750	1.5
134.52235	0.7
134.98198	100.0
170.19064	0.8
176.00879	2.0
187.82693	0.7
209.01938	1.7
238.95793	0.7
257.24902	2.0
279.73782	0.9
303.17786	0.9
313.27393	51.3
335.25568	3.6
395.14691	0.8
447.24875	67.5
448.25320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01851	2.2
55.05516	12.9
57.03442	12.2
57.07062	3.0
65.03934	1.4
67.05511	37.5
69.07072	11.0
70.91752	1.5
70.92076	2.0
71.08649	1.5
78.64523	1.3
78.98524	1.1
79.05505	20.4
81.07061	39.1
83.08645	6.4
91.05486	9.5
93.07048	25.2
95.08613	32.7
97.06520	2.8
97.10184	4.1
98.98477	5.5
105.07045	8.1
107.08615	16.1
109.10164	14.8
111.11715	1.1
113.00027	62.2
117.07017	2.3
119.08561	6.4
120.81921	1.1
121.10168	12.0
123.11727	6.4
125.09644	1.2
131.08551	5.9
133.10182	5.9
135.11717	7.7
137.00044	6.5
137.13213	1.2
139.11191	1.2
145.10107	5.4
147.11702	4.2
149.13272	4.4
155.01073	4.7
159.11748	4.2
161.13255	4.6
163.14853	3.2
169.02623	20.2
173.13274	3.4
175.14764	1.5
185.30066	1.2
187.03693	8.5
187.14877	2.0
190.12778	1.1
191.14261	1.5
193.02634	1.7
235.62238	1.1
237.22250	1.5
243.20978	5.4
261.22141	13.6
311.25723	4.8
317.24811	5.4
335.25830	100.0
414.81366	1.2
447.24927	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	447.1289
Annotation	Glycitin
Peak:m/z	Relative Intensity
53.03946	0.4
55.01865	0.3
55.05518	0.2
56.05018	0.2
57.03431	0.5
61.02918	0.7
66.80781	0.1
67.05505	0.3
69.03439	1.8
69.07072	0.4
70.06599	1.0
71.04996	0.4
71.51708	0.2
72.08164	0.2
73.02913	0.4
79.30839	0.1
81.03419	1.2
81.07053	0.5
84.04511	0.2
84.08121	0.3
85.02916	4.6
86.09720	0.8
87.04456	0.2
90.94294	0.2
91.03959	0.2
91.05457	0.4
93.07039	0.4
95.04972	0.3
95.08585	0.4
97.02894	1.7
99.04438	0.2
103.05468	0.2
105.03399	3.3
105.07050	0.3
107.08656	0.3
107.54365	0.1
109.02870	0.8
109.06573	0.2
109.10159	0.3
119.08530	0.2
120.08107	0.4
121.10197	0.3
125.06007	0.2
127.03917	1.0
129.10283	0.2
131.08537	0.2
133.10139	0.3
137.02290	0.2
137.05992	0.3
143.08612	0.1
145.02773	0.2
145.04958	0.5
145.06494	0.2
145.10078	0.2
147.11707	0.2
149.06036	0.2
151.03909	1.0
163.03984	0.2
167.03387	0.2
167.06975	0.3
169.06540	0.2
173.13164	0.2
177.05444	0.3
179.03345	0.3
179.07014	0.1
181.05006	0.4
185.05856	0.2
197.05933	0.4
200.04674	0.2
214.06224	0.2
225.05478	0.7
233.07814	0.2
242.05782	4.5
253.04897	0.4
254.05714	0.5
256.07462	0.1
270.05246	17.8
271.05457	0.2
285.07587	100.0
286.07916	1.3
417.15790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40773	3.9
53.03939	5.1
53.25500	4.3
53.80618	4.4
56.20900	4.1
56.96571	5.7
64.94707	4.1
69.03424	8.3
69.07079	14.1
71.52230	7.1
76.40353	4.4
77.11990	4.0
79.05493	8.2
81.07050	16.2
83.08652	4.7
88.01751	4.1
91.05459	10.9
93.01794	4.0
93.07070	8.7
95.08603	9.7
98.97587	8.5
105.07032	8.9
107.08604	13.5
109.10181	5.8
111.04449	9.8
119.08593	45.9
128.98706	6.3
133.10083	4.5
135.08095	10.8
137.05988	50.1
147.11703	8.3
149.02354	59.7
161.09604	8.4
161.13239	5.6
166.47987	4.0
189.12811	4.7
193.04956	49.9
201.16336	4.6
203.19794	4.1
277.18005	37.3
295.19009	8.4
341.06665	5.2
351.21701	82.5
359.07538	9.1
369.22635	4.1
383.24326	29.1
385.09360	30.2
392.99643	8.6
403.10269	5.5
428.28360	6.4
429.11856	100.0
446.29169	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	447.1289
Annotation	Lasianthuoside A
Peak:m/z	Relative Intensity
55.01863	0.5
55.05500	0.6
55.49310	0.4
67.05496	0.6
69.07056	0.8
70.06595	1.7
70.70483	1.0
72.08136	0.9
79.05482	0.6
81.07054	0.8
83.04968	0.3
84.04507	0.5
84.08126	1.0
85.02895	0.7
86.09686	1.5
87.04476	0.5
91.05459	0.6
91.66319	0.3
95.08590	0.6
96.38261	0.3
97.02885	0.5
98.97592	0.3
100.11259	0.4
104.07097	0.7
105.03369	1.2
105.07034	0.4
107.08611	0.6
110.07164	0.4
115.20006	0.3
120.08089	1.0
123.00812	0.8
125.39367	0.4
129.10240	0.4
137.05972	0.7
141.01825	2.1
145.02861	1.0
145.10051	0.4
147.04355	0.4
165.01845	13.1
173.22720	0.3
177.05450	1.9
183.02905	4.0
259.12036	0.3
267.06537	100.0
268.06876	1.7
278.23346	0.4
344.14688	0.4
401.86752	0.3
438.81415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31556	0.3
53.03946	0.7
55.01878	0.8
55.05513	3.8
61.56485	0.4
64.57736	0.3
65.03928	0.4
67.05179	0.7
67.05511	8.5
69.03421	0.6
69.07076	2.6
70.06598	0.4
71.04976	0.4
71.25318	0.7
73.93701	0.3
76.90758	0.4
79.05498	7.0
81.07063	7.4
81.34168	0.5
81.80146	0.3
83.05002	0.5
83.08623	1.7
84.04516	0.9
85.06563	0.5
91.05487	5.8
93.07046	5.4
95.04971	0.9
95.08618	5.0
97.06514	0.4
97.10175	1.6
103.05492	3.7
105.07044	2.9
105.67745	0.4
107.08592	2.7
109.10165	2.8
115.05454	1.2
117.07027	2.6
118.06554	1.4
119.04929	0.7
119.08594	1.8
121.06542	3.3
121.10149	2.3
123.04431	6.0
123.11747	0.5
125.09647	0.8
126.05508	1.0
128.06223	1.4
129.07016	4.2
131.04929	6.3
131.08588	1.7
133.06540	0.9
133.10133	1.0
135.08073	0.6
135.11699	0.5
137.05992	15.4
138.05547	0.6
141.06996	1.4
143.04953	0.9
143.08562	1.4
145.06480	3.4
145.10118	0.9
146.06024	2.2
147.04414	5.3
147.08051	0.8
149.04797	0.9
149.05992	13.9
151.07521	2.0
153.07022	0.4
155.08566	1.1
157.06523	3.2
157.10120	0.8
159.08112	1.2
159.11746	0.7
160.05263	0.9
161.06007	4.4
162.05513	0.8
163.06303	0.8
163.07520	3.0
164.07069	7.5
165.05476	4.0
166.08691	2.1
167.07053	0.7
167.08571	0.7
169.06467	1.1
169.10155	0.6
171.08083	1.7
173.05995	6.9
175.06093	0.5
175.07562	8.9
176.07069	0.6
177.07874	1.1
177.09219	0.5
181.04993	0.4
181.06558	0.6
181.12367	0.5
183.08112	0.4
185.09627	0.6
187.07591	2.7
189.09067	2.2
190.08684	1.1
193.10077	0.4
195.08134	0.6
197.09673	1.1
199.07541	1.1
200.08331	0.5
201.09155	2.5
203.10704	0.8
204.10175	0.5
208.12398	0.5
209.09537	0.8
211.11096	0.4
213.09084	1.6
215.10675	2.3
227.10703	1.3
229.12370	1.0
232.13361	0.8
239.10574	0.5
241.12283	0.7
244.13371	1.2
249.19084	0.4
290.17508	0.8
408.95691	0.4
410.26950	1.2
428.28040	8.4
446.29050	100.0
447.29358	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.7
55.05516	21.7
57.03446	12.7
57.07070	9.0
61.02927	8.3
64.26849	2.2
67.05511	34.0
69.03432	100.0
69.07074	18.1
71.05000	5.4
71.16355	2.3
71.47044	3.0
72.08137	3.0
72.93260	2.5
73.02907	2.9
76.20886	2.4
79.05486	8.5
81.03421	8.8
81.07051	42.8
83.04989	27.8
83.08623	14.1
85.02908	21.2
86.09758	2.3
87.04483	6.3
91.05477	6.0
93.07043	13.2
95.04985	3.0
95.08613	30.0
97.06513	3.7
97.10160	7.9
97.95805	2.4
98.09692	3.1
99.04454	17.4
105.07045	4.5
107.08587	10.1
109.10155	16.7
111.04454	21.7
119.08578	7.1
121.10140	9.5
123.11710	9.6
124.33175	2.5
129.05482	55.8
133.10098	6.4
134.98198	10.7
135.11670	6.0
137.13307	4.2
147.06561	14.9
147.11693	5.1
149.13284	5.4
151.14891	2.9
154.94130	3.1
161.13295	5.8
163.14804	2.7
165.07597	15.7
172.95270	2.8
175.14850	4.0
179.17940	3.2
189.16399	4.1
196.86250	2.2
245.22704	12.9
263.23636	15.0
311.25671	3.9
334.04297	3.1
409.29532	37.1
445.23145	8.6
445.29105	3.6
445.40906	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19322	1.1
55.05512	9.5
56.22896	0.8
57.07055	4.0
60.05634	2.2
67.05517	5.8
69.06737	1.3
69.07072	18.7
70.33976	1.6
70.34366	2.0
71.08631	2.3
79.05473	2.4
79.31127	0.8
81.07049	9.2
83.08626	9.5
85.10180	0.9
91.05448	2.4
93.07034	2.5
95.08621	5.9
97.10163	4.4
105.07005	2.5
107.08600	4.5
109.06451	0.9
109.10168	7.5
111.11711	1.7
119.08580	5.4
121.10113	3.8
122.07215	0.9
123.08045	1.1
123.11698	2.2
126.74099	0.9
131.08511	2.0
133.10152	1.4
135.08023	3.3
135.11711	2.1
137.09636	8.8
137.13246	1.2
139.18182	0.8
145.10103	1.7
147.11681	1.0
149.09644	9.5
151.07524	1.1
157.10069	1.5
159.11702	1.8
160.08890	1.0
161.13168	0.9
163.11192	10.5
165.09126	100.0
173.09506	1.4
173.13199	1.2
175.11166	3.1
177.09077	6.4
179.10652	1.8
187.11195	1.6
189.09081	2.8
189.12880	1.9
190.09837	1.3
191.10698	5.1
199.11156	3.2
201.12769	1.5
203.10716	6.0
205.12250	6.9
219.13783	1.7
233.15280	1.0
245.15369	1.1
270.04294	0.9
292.10690	1.1
303.23315	1.1
311.54977	0.9
387.16095	2.0
387.30438	1.1
402.18665	1.0
409.34488	2.8
415.15283	3.2
417.20776	1.1
427.35883	8.7
429.16971	1.3
430.17764	3.6
445.20087	34.1
445.37140	11.6
446.20779	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3111
Annotation	Yibeissine
Peak:m/z	Relative Intensity
55.05502	2.3
57.07066	2.1
58.77949	0.6
60.58806	0.6
61.47962	0.6
65.03937	0.9
67.05511	9.6
69.07058	2.6
69.86552	1.1
69.86955	2.2
71.08640	0.8
74.12125	0.7
79.05515	3.4
81.07061	9.3
83.08584	0.9
85.46072	0.6
88.07627	0.6
89.06036	1.2
91.04913	0.9
91.05489	19.1
93.07046	3.5
95.04971	3.5
95.08609	8.3
97.06562	1.4
97.10201	1.2
98.20793	0.8
103.05473	1.4
105.07035	1.4
106.96445	0.6
107.04945	1.9
107.08611	1.8
109.10164	2.9
118.06460	0.8
119.04948	22.3
119.08575	1.6
121.06544	1.5
121.10150	1.6
123.04437	26.5
123.11679	1.4
133.08673	0.6
133.10138	1.4
135.11780	0.6
136.07582	100.0
147.04417	11.6
147.11653	1.1
161.13223	0.7
165.05486	45.2
171.65637	0.7
175.14886	1.1
182.08136	74.3
245.22729	2.3
248.53128	0.7
263.23853	1.6
269.09845	0.6
293.21060	0.9
314.31125	0.6
398.30444	4.7
419.71191	0.6
444.34244	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	445.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85807	0.3
51.27689	0.4
51.39468	0.4
56.93023	0.4
57.46231	0.3
69.53481	2.1
70.06590	0.7
72.08152	3.8
73.02935	0.7
85.02940	1.0
86.09718	3.9
89.03912	5.8
89.10770	0.6
91.05435	0.7
95.01324	1.2
98.02468	0.4
98.06065	0.6
106.04189	0.4
113.02359	0.7
117.03383	17.3
120.08135	0.4
125.05999	1.4
134.03632	1.1
135.04417	0.9
137.05965	1.1
141.01825	1.4
143.79921	0.4
144.23416	0.4
145.02856	45.2
146.74097	0.4
149.05989	9.6
150.06783	0.6
153.05499	2.7
163.03944	1.5
177.05475	100.0
178.05891	1.0
186.05476	0.7
187.03973	0.8
195.06453	1.9
231.91586	0.4
269.10220	0.4
311.09152	0.5
331.58942	0.4
353.08670	2.4
357.09778	0.8
445.14532	0.4
445.19922	4.0
459.39606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
54.35851	0.4
55.01870	1.1
55.05504	1.6
56.05037	0.6
57.03422	1.4
59.04989	0.4
59.59159	0.3
60.04523	0.7
61.02921	1.0
67.05492	1.2
68.99770	0.5
69.03431	6.7
69.07059	1.1
69.66541	1.9
70.06597	7.0
71.04985	0.9
72.08157	4.9
73.02912	1.0
73.04762	0.9
74.06068	1.6
79.05487	1.7
81.03421	5.4
81.07047	1.2
81.68666	0.4
84.04521	3.0
84.08154	3.5
85.02376	0.6
85.02908	14.4
86.09710	17.6
87.00824	4.7
87.04433	0.5
90.09195	0.7
91.03957	0.5
91.05442	3.4
93.07047	5.8
95.04957	1.5
95.08596	0.6
97.02890	5.2
98.06070	0.6
98.97543	0.8
99.04453	1.8
102.05539	1.2
105.01870	3.3
105.07032	5.3
107.04954	0.6
107.08593	14.0
109.02885	5.7
109.06519	1.2
109.10168	1.3
110.07161	2.1
111.04442	0.5
115.08694	0.5
116.07109	0.8
117.01850	0.6
117.03384	0.5
119.04962	0.5
119.08591	2.3
120.08099	1.3
121.06534	1.9
121.10158	0.5
123.04479	0.7
123.11765	0.5
127.03917	8.1
129.01840	0.8
129.10257	2.0
130.08640	1.2
131.04955	0.6
131.08618	0.6
132.10202	0.7
133.02841	0.4
133.06487	0.4
133.10130	15.5
135.11694	14.1
136.07568	0.8
137.05968	4.2
137.09607	1.2
138.06364	1.0
143.11757	0.5
145.02809	1.2
145.04958	1.7
147.04424	0.9
149.05959	0.5
149.09615	0.5
151.07455	0.4
151.11169	1.3
154.49496	0.4
157.13364	1.0
159.02892	1.2
161.09621	8.9
163.03958	0.6
165.05525	0.4
167.07002	0.8
167.10645	0.8
171.11366	0.7
173.12880	0.6
177.05518	2.3
179.10675	27.6
185.12849	1.2
189.03894	0.7
197.11732	100.0
198.12094	0.4
201.12331	0.6
208.58823	0.5
213.04076	0.5
213.16045	0.5
215.13954	1.3
231.05055	1.7
231.17050	0.6
237.00554	0.5
243.13452	1.2
246.14922	1.4
246.65034	1.2
261.14523	0.8
275.15878	0.7
356.12109	0.7
359.02939	0.8
364.66211	0.5
445.10788	0.6
445.20700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.2
55.01865	0.4
55.05500	0.6
57.03436	0.4
58.51537	0.2
60.04523	0.5
61.02922	0.8
66.02497	0.2
68.05032	0.3
69.03442	1.6
69.07066	1.0
70.06596	13.7
71.04994	1.0
71.52052	0.4
72.08158	3.5
73.02887	0.3
74.06087	0.7
81.03418	0.7
84.04508	1.9
84.08154	2.7
85.02909	3.5
86.03245	0.3
86.09711	11.1
87.10048	0.3
88.07092	0.6
88.07635	9.7
89.03912	2.3
91.05470	0.6
97.02890	1.2
98.06047	0.5
99.04482	0.3
106.08669	1.6
109.02896	0.3
110.07156	1.3
115.08704	0.5
116.07095	0.8
116.41587	0.3
117.03383	10.3
119.04951	0.3
120.08084	0.8
127.03920	0.6
127.08653	0.7
129.10226	1.6
130.05019	2.2
132.95872	0.3
134.03593	0.4
135.04413	0.6
136.07603	1.5
137.05984	0.9
145.02852	43.3
146.03204	0.3
147.07666	2.8
149.05977	4.1
155.08156	0.6
155.11790	0.3
157.13342	1.9
159.07632	0.4
163.03899	1.0
164.07091	0.4
164.11497	0.3
177.05475	100.0
178.05835	0.8
183.14987	1.3
185.12918	1.5
186.05521	0.4
187.07521	0.7
193.05016	0.3
200.13867	0.3
211.14348	0.4
222.03030	0.4
234.11371	0.4
235.14391	0.5
256.12979	0.5
260.16080	3.7
264.12271	2.5
265.10696	0.6
268.13821	0.3
269.12796	0.3
276.96954	0.3
279.10229	0.8
282.13367	38.4
283.13962	0.4
286.17664	1.8
298.21240	0.6
299.35236	0.3
324.06088	1.0
324.16229	0.3
341.21835	0.9
369.21310	0.5
426.17230	0.4
442.93924	0.3
444.18304	0.7
444.23663	0.7
444.28992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59903	0.3
56.05027	0.4
57.03448	0.4
60.04534	0.7
61.02914	0.4
63.02373	0.4
67.77132	0.3
69.03423	0.9
69.07059	0.5
69.17957	0.3
70.06599	10.3
71.04995	1.0
71.07707	0.4
71.08044	0.4
72.08156	2.6
74.06086	1.2
84.04514	1.1
84.08156	2.0
85.02900	1.7
86.09715	2.6
88.07633	6.5
89.03916	2.8
97.02898	0.8
98.97598	0.5
99.14471	0.4
106.08699	2.0
110.07184	0.5
112.08767	0.5
114.66783	0.3
115.08704	0.3
116.07100	1.1
117.03384	14.1
120.08120	0.3
122.06042	0.3
127.03915	0.6
129.10233	0.8
134.03642	0.7
135.04434	0.6
136.07602	0.4
137.05974	0.6
145.02855	42.6
146.03224	0.4
149.05991	5.6
150.05446	0.4
159.07666	0.5
163.03879	0.9
168.83699	0.3
169.13374	0.8
177.05479	100.0
178.05804	0.9
180.01053	0.5
187.14531	0.7
194.02724	0.5
196.06041	1.2
197.12839	0.3
212.03752	1.4
215.13953	2.8
225.17030	0.4
229.15451	0.4
230.11398	0.7
264.12213	1.5
282.13388	16.3
297.05417	0.9
329.17810	0.3
444.19272	0.6
444.29636	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84763	0.8
55.05514	2.0
56.05039	1.8
57.03464	1.1
57.39234	1.0
60.04513	1.7
66.21889	1.1
69.03432	2.7
69.07064	1.6
69.86535	4.6
70.06595	37.2
71.04994	1.2
72.08156	10.8
74.00662	1.0
74.06085	2.4
80.05008	1.1
81.03445	1.2
81.07021	1.0
83.06125	2.4
84.03994	1.1
84.04508	22.4
84.04996	0.8
84.08141	8.2
85.02897	5.6
85.08433	1.1
86.06075	1.1
86.09717	11.5
87.04511	1.0
87.05619	1.1
88.07627	2.3
89.03931	2.4
89.10796	1.1
90.66051	0.9
95.05000	1.0
96.04525	1.0
97.01096	0.9
97.02927	2.1
98.06067	1.5
98.55370	1.0
98.97585	1.0
102.05535	2.1
107.04926	0.8
107.06061	1.6
109.02863	2.1
109.07635	2.8
110.07182	3.3
111.04435	1.3
112.08741	1.8
113.15691	1.0
114.05537	1.1
115.08694	1.8
116.07083	3.1
117.03383	7.3
120.04459	2.3
120.08094	1.0
122.06015	1.2
123.04424	1.0
124.02176	1.9
127.03898	0.9
129.10243	5.2
130.04987	5.1
133.05251	4.5
135.04431	1.2
136.03915	1.1
137.05991	1.6
139.02122	4.7
139.03868	1.0
140.01617	1.3
140.04686	0.9
143.11839	1.2
145.02844	19.9
145.04828	1.1
145.06035	1.0
147.04446	1.2
148.02168	1.2
148.03961	1.1
149.04655	1.1
149.05981	2.5
150.05530	0.9
151.02695	1.5
152.01665	3.8
153.06589	3.8
155.08203	2.0
158.02605	1.2
159.07510	1.2
163.03905	4.8
163.06294	3.4
164.01624	1.1
164.03371	1.9
166.03258	9.4
166.05008	19.4
166.06313	1.5
167.01636	2.7
171.01183	1.7
173.12881	1.3
177.05476	46.7
178.04953	9.2
178.65536	0.9
179.05786	7.2
180.01157	18.5
180.02736	1.1
181.01938	2.1
181.06100	2.6
182.02643	2.4
183.01201	5.1
183.11403	0.9
185.02731	3.7
185.09225	1.0
186.02194	4.0
187.10616	1.1
194.02718	12.6
194.04332	1.9
195.01132	3.2
195.03601	1.1
196.04301	9.4
197.01424	18.3
199.07185	1.3
200.13918	1.7
203.10277	1.1
212.03769	100.0
217.11858	7.2
219.31012	1.0
225.16992	1.2
230.11513	1.4
234.11090	1.1
251.04889	3.2
257.07596	1.2
269.05911	1.2
278.04932	1.9
282.13339	4.1
297.05405	38.3
315.06479	9.4
369.07571	11.5
411.27997	1.0
444.10773	3.9
444.15881	3.2
444.29102	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	443.3523
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03942	3.3
55.05513	21.6
57.07082	4.5
58.55372	1.7
59.05001	1.7
65.03951	1.8
67.05515	26.9
69.07073	33.0
71.08636	1.7
71.53361	2.3
79.05492	10.1
81.07061	30.3
83.08612	6.7
91.05502	11.5
93.07060	23.3
95.04924	2.1
95.08609	42.9
95.09184	3.4
97.10172	11.5
98.97600	2.6
105.07038	15.9
107.04971	3.2
107.08591	22.7
109.06542	4.1
109.10170	19.9
111.11697	1.8
111.39769	1.9
117.06998	2.7
119.04934	3.2
119.08568	12.7
121.06512	6.4
121.10175	16.4
123.08099	4.3
123.11740	10.4
129.07045	3.0
131.08606	8.9
133.06453	1.9
133.10143	16.4
135.11687	16.3
137.13281	10.4
142.07799	2.6
143.08597	3.7
145.10173	7.7
145.13730	2.1
145.45692	1.8
147.04384	12.3
147.08012	2.2
147.11711	15.0
149.09633	2.0
149.13298	7.9
155.08606	2.1
157.10187	8.1
159.11728	8.3
161.09698	3.7
161.13281	6.0
163.11203	2.5
163.14873	2.5
169.10229	3.0
171.11668	4.4
173.09659	4.4
173.13214	4.3
175.11212	20.4
175.14853	5.3
177.16377	2.9
184.07318	2.1
185.13347	3.1
187.11255	2.0
189.12735	3.3
189.16338	2.7
197.13269	2.0
199.11372	2.0
241.19524	2.3
242.15074	1.9
269.19153	4.2
285.18686	3.6
383.05228	4.0
407.33054	10.4
425.34174	87.3
443.35294	100.0
465.11914	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.7
55.01875	3.8
55.05512	6.1
57.03417	2.4
57.48217	1.7
67.05508	9.5
69.03436	21.2
69.07082	24.7
70.06609	10.6
71.04988	8.5
72.08151	7.5
73.06583	1.8
77.03942	2.6
79.05509	22.2
81.03423	5.1
81.07059	19.6
83.04996	39.8
84.08146	6.4
85.02893	4.7
85.06541	8.0
86.09721	9.4
87.04464	4.2
91.05491	23.7
93.07051	35.7
95.04990	12.7
95.08599	8.3
97.02905	16.6
97.06538	33.8
98.21518	6.3
99.04459	12.6
105.07040	69.9
106.91483	1.8
107.04973	12.9
107.08607	29.0
109.06524	24.4
111.04440	5.9
111.08092	4.2
113.02374	2.3
115.05463	2.4
117.07014	16.5
119.04936	23.3
119.08592	17.8
120.08157	3.0
121.06509	38.5
121.10154	5.8
123.04459	1.8
125.02362	4.6
125.06004	50.8
127.03943	2.4
127.07538	6.2
128.06244	2.1
129.05481	5.1
129.07011	5.6
129.10262	4.3
130.07776	8.4
131.08592	19.8
133.06488	10.9
133.10141	10.8
135.08052	3.5
135.11700	4.0
137.05939	11.5
139.07556	8.4
141.07010	2.1
143.07053	20.7
143.08560	8.3
144.09312	4.6
145.06512	6.2
145.10136	100.0
147.04395	1.7
147.08066	4.1
147.11684	9.4
149.06012	3.3
149.09666	3.4
151.07581	9.7
154.07780	3.6
155.08566	4.2
157.08588	11.7
157.09848	3.2
158.07269	7.9
159.08078	7.7
159.11703	42.0
161.06090	2.3
161.09605	3.7
161.13237	5.4
163.03944	5.9
163.07561	3.7
163.11198	92.7
167.07033	3.3
167.08345	2.8
169.10167	11.6
171.08125	3.2
171.11710	2.4
172.08774	4.0
173.09641	51.3
175.06039	28.3
175.07503	4.6
177.12755	14.2
179.08592	5.0
187.11192	69.0
189.12781	5.4
191.10690	28.9
197.09564	12.7
205.12248	59.5
209.11760	6.7
215.10695	83.0
223.13310	6.3
233.11766	72.7
233.14124	2.9
251.12834	16.8
262.72543	2.0
263.89368	2.2
269.13843	3.0
383.14835	6.1
407.17120	3.8
425.18036	5.1
443.17398	3.1
443.22534	7.6
445.77484	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.7
55.01864	7.2
55.05500	12.6
56.05030	2.8
58.66043	2.3
60.04531	3.0
65.21469	3.0
65.69954	2.3
67.05502	13.2
69.03429	19.5
69.07080	24.2
69.23557	26.0
69.41536	2.8
70.05584	2.4
70.06244	3.6
70.06590	26.5
71.04987	7.9
72.08164	14.1
74.06045	3.6
79.05483	25.9
81.03428	4.9
81.07043	23.6
83.04986	49.2
84.04504	6.3
84.08146	9.9
85.02897	6.9
85.06557	3.6
86.09702	18.5
87.04462	3.6
91.05477	29.0
91.60467	3.0
93.07039	26.1
95.04951	13.7
95.08600	6.9
97.02890	19.5
97.06532	51.8
99.04471	14.6
105.07030	68.1
107.04958	7.5
107.08572	25.4
109.06517	26.1
110.07158	14.0
111.04433	4.3
111.08070	3.4
115.05447	4.4
115.08749	3.0
116.07081	4.0
117.07008	13.7
119.04959	15.2
119.08574	14.4
120.08097	4.3
121.06514	42.0
121.10133	5.0
123.08095	2.5
125.02364	5.7
125.05992	72.3
129.05470	7.6
129.07010	11.0
129.10156	5.4
130.07770	10.3
131.08588	17.4
133.06467	14.3
133.10117	11.0
135.04445	2.9
135.08037	5.4
135.11687	5.9
137.05975	12.2
139.07553	5.0
141.07024	7.8
143.07039	32.6
143.08566	8.6
144.09370	6.2
145.02858	3.1
145.06483	9.5
145.10121	100.0
146.07170	2.7
147.08037	3.8
147.11664	8.1
149.05948	3.8
151.07568	13.9
154.07744	3.1
155.08498	3.5
156.09334	2.7
157.08603	5.4
157.10121	2.7
158.07259	12.4
159.08064	9.2
159.11694	39.1
161.09671	4.0
161.13248	3.0
163.03954	3.7
163.11183	67.8
167.07086	3.1
167.08501	2.9
169.10155	13.9
171.08084	3.3
171.11734	3.5
173.09637	66.5
175.06036	26.8
177.05473	5.5
177.12750	10.4
187.11188	77.0
189.12746	5.6
191.10678	29.9
197.09572	8.3
205.12250	58.3
209.11668	6.6
215.08679	4.5
215.10680	68.9
218.07137	3.2
229.08536	4.6
231.08078	3.4
233.11708	51.0
247.07518	6.3
248.08406	4.5
251.12805	9.0
261.09073	3.8
265.08682	3.1
291.10153	6.0
292.07028	3.5
293.08145	4.2
305.07993	4.2
336.10040	4.8
337.10797	3.7
344.38892	2.9
351.12173	6.4
353.10065	3.6
368.12527	3.7
383.14905	50.6
443.17715	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.3
56.07748	0.9
64.87032	0.7
69.03425	1.0
69.08527	0.8
69.10686	0.9
70.06596	16.2
71.28527	1.7
72.08158	100.0
73.08498	1.1
74.77117	0.8
84.04478	1.3
84.08141	1.9
85.02911	1.3
86.09715	7.8
89.10796	9.5
91.05479	2.0
95.00049	0.8
95.04970	0.8
98.06059	43.2
103.05439	1.6
110.07172	1.3
111.04430	0.9
115.05482	4.3
115.08695	44.0
116.07105	1.5
117.03381	1.8
117.07007	2.3
119.04948	1.2
120.08089	3.4
121.14748	0.9
123.04417	5.1
127.82569	1.0
129.10199	0.9
131.04901	1.7
133.05109	1.0
136.07526	1.6
137.05907	2.2
143.04874	2.9
144.05635	1.1
145.02859	3.0
145.06427	1.1
146.03221	1.6
147.04417	1.6
147.08002	1.0
149.05936	0.9
149.09750	1.0
157.02901	1.2
159.04408	3.8
160.05188	10.1
160.88556	1.0
161.05992	4.1
163.03925	1.3
165.17184	1.0
169.09698	1.0
173.06035	1.5
174.06755	4.6
175.07544	17.6
177.05469	4.7
177.06952	1.8
178.05800	3.6
186.03136	2.6
187.03894	1.9
189.05437	2.1
191.07008	1.8
192.10243	2.6
192.50751	0.9
195.02789	1.2
201.05421	29.5
205.06584	6.3
209.12849	1.9
211.87750	0.9
217.04799	1.8
217.11914	1.7
218.05560	1.0
218.08150	2.8
219.06372	5.7
221.05960	3.7
222.06766	2.0
223.07538	17.3
229.15468	1.3
233.06007	5.7
234.06792	2.1
235.07523	4.0
237.09131	6.1
239.06865	1.0
240.07813	0.9
241.03720	2.6
246.07608	1.1
247.07513	1.7
249.05478	9.5
250.06270	6.2
251.07095	9.1
252.07629	2.2
256.06036	7.9
261.05408	1.2
263.07071	7.7
265.08585	9.1
266.05756	3.9
267.06552	4.8
268.07327	3.5
277.05035	2.4
278.05780	1.3
279.06577	4.8
282.09119	2.1
283.09573	14.2
285.11115	1.0
288.12277	3.8
291.06445	5.6
294.05225	2.3
295.05872	1.2
295.09683	2.0
298.10751	4.1
305.14905	3.7
309.07562	42.3
311.09164	7.9
315.13455	1.7
327.08585	4.9
337.07047	3.5
355.08051	1.9
380.14896	4.0
382.16620	7.4
399.10773	0.9
399.19165	8.2
408.08936	2.0
408.14404	33.8
425.17090	52.1
426.15585	5.9
443.09131	1.5
443.18536	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	443.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01860	1.4
55.05507	11.4
56.01392	1.5
57.98325	1.3
60.21560	1.1
67.05496	1.5
68.97695	1.3
69.03423	5.4
69.07066	2.0
69.83067	5.7
70.06597	32.2
72.08160	100.0
77.39600	1.4
79.05471	1.9
81.03434	2.6
81.07056	1.9
84.04509	2.4
84.08139	4.1
85.02917	7.3
86.09718	20.4
87.10033	2.3
88.03970	1.7
89.03905	2.7
89.10801	13.5
91.05475	4.0
93.07034	1.7
95.04948	3.2
97.02905	3.2
98.06068	33.2
103.03911	1.4
103.05495	2.7
105.03355	3.5
105.07011	1.5
107.04958	3.2
111.04452	2.0
112.11246	1.6
115.05456	5.4
115.08700	38.0
116.06339	1.6
116.07059	6.6
117.03398	3.8
119.04956	2.8
119.08534	1.6
120.08124	3.1
121.02876	1.2
121.06496	3.5
123.04436	4.9
125.05991	2.9
127.03909	1.4
129.10252	2.7
131.04938	2.8
133.02852	30.3
135.04398	5.0
136.07640	2.3
137.05986	18.9
143.04948	2.0
145.02847	7.0
145.04941	2.0
147.04396	7.6
148.04799	2.4
149.02342	7.4
149.05936	6.6
150.06758	13.8
151.03873	2.3
153.05412	1.7
155.08380	1.6
159.04417	3.4
160.05219	5.2
161.02327	6.4
161.05965	3.7
162.03261	1.4
163.03871	11.6
164.04712	7.6
165.05469	2.8
165.06995	2.0
168.04076	1.6
173.02382	6.6
174.06783	3.3
175.03842	1.8
175.06027	3.9
175.07535	12.5
176.04631	4.1
177.01865	16.2
177.05501	20.1
177.06961	2.7
181.04948	5.2
183.11401	2.6
187.03830	7.8
187.10864	1.6
191.07130	2.0
192.10258	1.9
193.04939	4.4
193.06543	2.4
194.05745	10.5
195.02919	1.6
201.05388	19.0
201.06860	1.3
201.12386	3.5
205.04797	1.7
205.06520	6.5
206.20319	1.3
209.04408	6.3
210.06960	1.6
213.08707	1.6
215.13956	7.3
219.06523	5.5
220.05334	1.7
221.06023	9.1
222.06773	1.9
223.07587	12.3
227.10342	1.8
228.13371	1.3
229.13786	2.1
233.05969	6.5
235.07520	2.6
237.09079	5.1
238.06184	1.5
247.07468	1.8
249.05434	17.3
250.06200	6.0
250.13091	2.3
251.07085	9.2
253.08650	2.2
256.06042	5.9
261.05414	4.1
263.07086	5.9
263.16409	2.0
265.08640	7.7
266.05734	4.7
267.06506	3.5
268.07321	4.1
277.04996	13.1
278.05792	2.1
279.06473	4.5
280.07278	1.4
281.08154	6.9
282.08850	2.5
283.09650	10.4
288.12204	1.8
291.06262	4.0
293.08008	6.0
294.05246	9.2
295.09521	1.7
298.10690	2.0
305.14883	2.1
309.07568	37.7
311.09131	12.8
327.08636	3.2
327.20093	1.3
337.07095	38.2
355.08127	43.2
380.14990	2.6
382.16302	7.0
399.10651	4.0
399.19461	8.0
408.14465	24.2
425.11667	1.7
425.17206	36.6
426.15454	11.2
443.10306	10.0
443.18585	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05033	0.6
57.03438	0.6
61.02940	0.8
61.36654	0.4
61.36974	0.5
61.65608	0.5
68.42355	0.5
69.03424	1.3
69.07064	0.6
70.06598	19.6
71.04980	0.6
71.06935	0.8
72.08161	4.8
81.03399	1.2
84.04498	1.5
84.08143	5.3
84.96046	0.5
85.02908	4.7
86.06068	3.4
86.09714	5.9
88.04009	0.5
89.03908	3.3
89.56447	0.4
91.05489	1.4
97.02895	1.7
98.20747	1.7
98.97589	1.7
102.05556	1.2
104.07026	0.4
104.86405	0.5
108.26651	0.5
109.02892	0.7
110.07185	3.2
112.11252	0.8
116.07081	2.8
117.03390	14.8
117.07417	0.7
117.16914	0.4
117.17918	0.5
119.04960	1.0
119.07329	0.5
120.08101	1.2
123.32957	0.5
127.03889	0.9
129.05426	0.5
129.10237	2.5
134.03654	0.5
134.06137	0.5
135.04468	1.1
135.53799	0.5
136.07593	2.6
137.05975	1.2
143.00160	0.5
145.02855	42.9
146.05992	0.6
147.04451	0.7
149.05981	5.7
151.12015	0.4
156.07622	0.7
163.03926	4.2
164.04402	0.5
164.07016	0.6
169.13417	0.5
169.46964	0.5
177.05481	100.0
178.05783	0.9
183.14938	0.4
186.05444	0.6
187.10721	0.7
189.68915	0.5
193.05086	0.9
197.12816	0.6
197.91695	0.4
201.12354	0.5
213.12256	0.7
215.13864	3.5
219.01770	1.3
229.50792	0.5
237.02763	0.7
262.10764	1.0
279.13361	1.0
280.11835	16.0
287.59048	0.5
310.06549	0.6
356.07309	1.3
365.25409	0.7
398.08371	0.6
398.16040	0.6
442.09195	0.6
442.16055	1.4
442.27097	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2954
Annotation	N-(alpha-Linolenoyl) Tyrosine
Peak:m/z	Relative Intensity
55.05505	3.7
55.61240	1.6
56.39764	1.5
67.05498	7.3
67.77293	1.6
69.07085	2.7
71.52911	1.8
71.53349	2.1
76.06487	1.6
79.05482	5.3
81.07056	12.3
91.05482	22.3
93.07051	9.5
95.04933	3.3
95.08593	7.7
103.38662	2.0
105.07024	2.3
107.08577	5.7
109.06489	1.8
109.10131	3.5
118.98162	1.8
119.04947	29.0
119.08627	2.1
121.06523	2.2
121.10141	5.1
123.04433	30.7
133.10136	3.2
135.11713	4.5
136.07576	100.0
145.10089	2.1
147.04396	12.1
147.11684	2.0
149.13258	2.1
159.11710	2.3
161.13266	2.0
162.28137	1.8
165.05484	57.0
182.08131	81.0
212.95613	5.0
243.20973	2.8
261.22110	7.8
290.24734	3.2
323.06927	1.7
359.13736	1.7
377.14890	5.0
396.28723	2.1
401.14734	6.8
419.15973	4.1
442.29410	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05519	16.5
57.07080	10.0
67.05505	29.3
69.07076	35.3
71.08606	2.7
71.38728	3.4
79.05507	9.9
81.07062	51.4
81.07523	3.1
83.04966	4.3
83.08604	13.9
87.04483	3.3
91.05517	8.7
93.07055	29.2
95.04999	3.1
95.08619	100.0
96.45686	2.1
97.06578	3.9
97.10194	9.1
105.07033	19.6
107.08600	51.5
109.06561	3.7
109.10164	69.0
111.08105	4.3
111.11761	10.5
116.07143	8.2
119.08589	41.0
121.06523	4.3
121.10152	42.2
123.08089	4.7
123.11706	32.1
123.24698	2.2
131.08624	8.9
133.10126	31.1
133.10922	2.5
135.11699	31.1
137.09624	3.2
137.13286	14.7
143.08545	3.7
145.10124	20.7
147.11688	18.1
147.39935	2.2
149.13300	22.4
151.14980	2.5
157.10216	9.4
159.11697	18.8
161.09682	3.5
161.13295	13.7
163.11298	3.9
163.14815	13.2
165.12897	3.6
165.16435	3.0
170.10942	3.0
171.11655	11.0
173.13245	17.5
175.11275	3.1
175.14833	18.5
177.16464	8.1
179.14357	3.1
179.18114	2.9
185.13321	8.2
187.14824	14.6
189.16411	18.1
191.17955	23.1
193.12271	4.6
193.15976	2.5
199.14917	8.3
201.16507	8.1
203.17975	11.6
205.16072	3.9
205.19489	22.0
206.91333	2.5
213.16466	8.6
215.18077	9.4
217.15959	7.7
217.19638	8.8
219.17502	3.8
219.21167	4.6
227.18019	4.9
229.19681	10.5
231.17577	9.0
231.21101	10.9
235.16943	13.4
241.19624	5.0
243.21176	5.8
245.22801	9.3
249.18588	4.4
255.21376	3.4
257.22833	2.4
259.52316	2.6
267.21304	3.0
268.00037	2.3
269.22739	2.9
271.24530	2.9
295.24506	2.6
323.27441	4.2
327.30624	2.7
335.26233	8.1
337.29398	3.1
405.35233	65.4
423.36313	49.7
441.24066	8.3
441.37540	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03954	3.1
54.16491	2.4
55.05513	14.9
57.07087	9.7
59.04982	3.7
67.05506	22.7
69.07066	24.2
69.80190	7.5
69.80603	7.6
71.04993	2.6
71.08640	7.6
73.06567	2.9
73.78426	2.4
79.05495	16.8
81.07056	51.9
83.04992	2.5
83.08647	11.6
85.06571	11.1
85.10189	4.9
89.06039	8.2
91.05490	18.0
93.07043	52.0
95.08605	100.0
97.06553	6.1
97.10212	7.6
98.20829	3.7
100.97188	2.6
105.07038	43.7
105.07668	2.7
107.08595	68.6
107.09293	3.7
109.06538	4.4
109.10162	55.1
109.10835	3.5
111.08084	7.1
111.11810	2.9
113.09638	4.8
117.07032	6.6
119.08583	59.9
119.09356	4.3
121.06515	5.4
121.10155	58.2
123.08131	3.9
123.11707	24.3
125.09685	6.3
131.08560	13.4
133.07686	2.8
133.08649	8.0
133.09193	3.8
133.10135	43.1
135.08112	3.5
135.11682	54.3
137.13234	12.9
139.11253	3.0
143.08598	4.3
145.10117	24.4
147.11700	32.5
149.09749	2.6
149.13280	29.1
151.11218	5.5
157.10135	7.3
159.11676	27.5
159.12630	2.6
161.13248	38.0
163.11322	3.4
163.14821	32.4
165.09155	3.6
165.12854	3.0
171.11775	6.1
173.13272	22.2
175.14847	25.6
176.70045	3.0
177.12874	4.1
177.16364	17.0
179.14395	5.9
187.14853	16.6
189.16365	23.3
191.14427	8.0
191.17960	61.4
193.16013	5.0
197.13310	2.7
199.14903	5.6
201.12825	3.5
201.16338	17.2
203.17996	26.2
205.15945	6.0
205.19539	14.6
207.17546	9.9
213.16440	6.1
215.17912	24.5
217.19588	14.1
219.17612	9.2
227.18214	3.1
229.19679	7.2
231.17613	3.5
231.21236	3.9
233.18968	29.1
241.19656	3.7
243.21397	3.6
247.20724	2.9
257.22937	4.3
258.61407	3.0
271.24365	3.7
395.37180	5.8
405.35492	7.8
423.36331	79.7
441.37598	98.1
442.37909	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	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05508	1.4
57.07080	0.9
67.05504	2.2
69.03422	0.8
69.07079	3.5
69.51534	2.2
79.05499	1.8
81.07060	6.5
83.04988	2.2
83.08617	1.7
85.06533	0.7
91.05479	1.6
93.07049	3.7
95.04980	1.3
95.08614	11.4
97.06541	0.7
97.10175	0.9
99.35502	0.3
105.07035	3.4
107.04960	0.4
107.08604	7.9
109.06538	1.1
109.10165	7.4
111.08075	1.0
111.11724	1.3
114.47648	0.3
117.07005	0.5
119.08585	5.2
121.06534	1.0
121.10156	7.0
123.08054	1.3
123.11711	3.7
125.09662	0.7
125.13297	0.3
131.08575	0.7
133.10136	3.7
135.08075	2.7
135.11694	7.8
137.09637	1.6
137.13260	3.4
139.11205	1.0
140.00601	0.3
145.10097	1.5
147.08060	0.7
147.11685	2.6
149.09631	10.9
149.13264	2.5
151.11208	0.6
151.14842	0.5
157.10144	0.6
159.11699	1.7
161.09697	0.5
161.13251	2.2
163.11217	1.3
163.14806	1.2
171.11688	0.9
173.13222	1.6
175.11224	0.5
175.14815	2.4
177.12811	0.6
177.16382	2.2
179.14375	0.5
185.13271	0.8
187.14856	1.2
189.12775	0.5
189.16428	3.9
191.14330	0.4
191.17950	3.4
196.68401	0.3
199.14920	0.7
203.17921	0.7
205.16010	0.5
205.19641	1.1
207.17502	0.4
211.14841	0.4
213.16344	0.8
215.17938	3.0
217.15982	0.6
227.17998	0.7
231.17517	0.6
233.19016	3.6
235.16873	1.7
241.19638	0.3
243.21046	0.5
245.19115	0.7
247.20566	0.5
259.20648	0.6
259.24298	0.5
261.22452	0.6
269.22714	0.7
283.24194	0.4
285.22156	0.3
287.23691	6.7
295.17294	0.5
301.25388	0.5
334.09952	0.3
405.34998	0.4
423.36237	2.4
441.37292	100.0
442.37708	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
54.25751	0.3
55.05513	1.6
55.25928	0.3
55.59974	0.3
57.07074	1.0
66.04372	0.3
67.05505	2.5
68.82716	0.3
69.03426	0.3
69.07071	4.9
69.52209	2.2
70.71136	0.3
71.08635	0.3
79.05494	1.3
81.07060	7.1
83.04990	1.2
83.08617	1.9
85.06567	0.4
91.05486	1.7
93.07047	3.9
95.04977	0.7
95.08615	11.7
97.06518	0.9
97.10161	1.0
97.62814	0.3
104.46800	0.3
105.07035	3.1
107.08601	8.0
109.06512	0.8
109.10172	6.6
111.08099	0.7
111.11717	0.6
114.83991	0.3
119.08584	5.1
119.09371	0.4
121.06518	1.1
121.10152	7.3
123.08076	1.4
123.11713	3.7
125.09637	0.6
125.13285	1.0
131.08582	1.1
133.10127	4.9
135.08061	3.6
135.11703	6.2
137.09647	0.9
137.13242	2.7
139.11188	0.6
142.95975	0.3
143.08595	0.6
145.10132	2.1
147.08063	0.5
147.11719	2.9
149.09625	9.2
149.10765	0.6
149.13286	2.7
151.11220	0.6
157.10216	0.6
159.11694	1.8
161.09680	0.6
161.13252	2.6
163.11243	1.5
163.14845	1.1
164.13223	0.3
165.12836	0.3
171.11668	0.9
173.13271	1.9
175.11188	0.7
175.14774	1.7
177.12790	0.6
177.16388	1.7
179.14319	0.7
185.13324	0.6
187.14859	1.5
189.12764	0.5
189.16396	3.5
191.17937	1.2
199.14807	0.4
201.19191	0.3
203.14308	0.8
203.18008	0.4
213.16455	0.6
215.17987	1.4
217.15906	0.5
221.00301	0.3
221.15269	0.3
227.17920	0.4
229.19514	0.6
231.17410	0.6
231.21234	0.5
233.19034	1.7
235.16949	3.4
241.19600	0.9
243.21207	0.7
247.20598	0.5
255.21068	0.3
259.20468	0.6
261.22183	0.6
267.21127	0.5
269.22437	0.6
273.22226	0.5
285.22260	0.7
287.23749	3.4
303.23270	0.6
347.16577	0.4
405.35190	0.9
423.36209	1.2
441.37308	100.0
442.37564	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05508	23.1
56.98981	3.6
57.07058	12.8
58.99209	3.5
59.04986	9.1
67.05505	39.6
69.07076	47.0
70.83011	5.1
70.83325	5.6
71.04992	8.9
71.08644	4.4
79.05496	24.1
81.07059	83.7
82.11700	4.0
83.04977	7.4
83.08612	27.0
85.06522	10.5
91.05479	21.1
93.07050	55.9
95.08605	93.7
97.06529	9.4
97.10162	10.9
99.08095	5.6
105.07031	48.7
107.08596	87.9
109.06486	10.3
109.10157	78.3
111.08083	7.9
117.06979	7.2
119.08587	52.2
121.10148	64.8
123.08098	7.4
123.11707	32.8
125.09599	8.9
127.11224	4.6
131.08578	13.0
133.10141	43.7
135.08081	5.9
135.11696	57.3
137.09592	8.5
137.13240	13.1
139.11205	7.8
145.10129	25.9
147.11674	32.2
149.09607	9.1
149.13266	29.8
150.63368	4.2
153.12764	6.2
157.10147	8.8
159.11673	28.0
161.13249	31.5
163.14812	17.5
171.11723	9.8
173.13216	21.1
175.14824	22.0
177.16391	38.2
181.12184	9.4
185.13222	7.5
187.14772	10.9
189.16357	21.7
191.14377	4.5
191.18008	11.7
199.14746	6.1
201.16391	17.5
203.18002	11.9
213.16312	6.9
215.17920	14.6
217.19475	14.6
219.17455	100.0
227.17950	10.5
229.19551	8.5
231.21095	11.6
233.18990	7.6
241.19397	4.7
243.21240	5.8
255.21075	8.7
257.22787	5.8
259.24197	12.0
271.24261	7.3
297.25726	9.4
351.30228	6.1
423.36597	32.2
441.32526	12.9
441.37708	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.62540	6.7
55.05501	23.0
57.07085	35.7
61.48932	7.0
64.32428	6.8
67.05504	31.4
69.03410	9.7
69.07074	48.4
69.52147	19.0
69.52558	29.6
71.05000	15.6
79.05474	16.9
81.07069	71.4
82.29860	6.9
83.08627	30.1
85.06538	12.7
87.04465	7.7
91.05482	7.5
91.68546	7.4
93.07059	47.7
95.08620	100.0
97.10191	12.9
105.07051	31.8
107.08613	58.3
109.10162	88.6
119.08592	59.2
121.10139	48.2
123.11723	29.9
131.08556	18.9
133.10149	40.4
135.11736	42.7
137.09578	8.6
137.13307	17.2
143.08600	12.2
145.07698	7.4
145.10130	24.6
147.11691	25.8
148.12511	6.8
149.13295	39.2
157.10075	13.5
159.11722	31.3
161.13269	25.6
163.14851	17.7
173.13306	21.6
175.14854	20.3
177.16447	14.7
187.14842	11.6
189.16397	15.0
191.17940	16.7
199.14822	10.5
213.16391	10.6
215.17950	15.3
215.83719	7.6
217.19585	15.7
231.21086	13.8
235.16856	17.7
269.22665	14.5
295.24603	8.2
345.27670	7.1
365.66635	7.1
405.35226	43.1
423.36288	40.2
441.29453	17.8
441.37408	59.6
447.94257	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	441.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
55.21103	0.5
56.05048	0.8
57.03400	0.8
57.07058	0.6
58.64134	0.6
65.03918	0.6
67.05505	1.2
69.03435	1.8
69.07065	2.1
70.06594	3.9
71.04996	0.6
71.06928	0.6
71.51875	0.8
72.08163	2.0
79.05480	1.3
81.03403	1.0
81.07059	3.5
83.05000	0.7
84.08149	2.3
85.02902	2.4
86.09710	6.4
87.20361	0.6
91.05466	2.4
93.07040	2.2
95.04960	0.7
95.08598	2.2
96.90076	0.6
97.02895	1.7
98.97594	1.0
99.04460	0.8
100.11285	0.9
103.05457	0.8
105.07029	5.2
107.04981	0.9
107.08601	2.8
109.06517	1.0
109.10133	1.2
110.07182	0.6
115.03973	1.0
115.05452	0.7
117.03409	0.8
117.06984	0.9
119.08607	1.8
120.08105	7.6
121.10101	1.2
127.03920	0.6
128.10725	5.3
129.10233	1.0
130.06534	1.1
131.08614	0.8
133.04897	0.8
133.06459	0.8
133.10138	1.2
134.09668	2.3
135.04459	0.6
135.11673	1.4
137.05983	0.7
144.08104	1.0
144.97261	0.6
145.02811	1.7
147.11726	0.9
149.06029	0.7
149.07376	0.6
162.09148	7.3
163.03943	1.8
177.05489	2.3
185.04288	1.0
193.12044	2.4
201.03734	0.6
203.05260	2.1
221.11420	0.6
227.05379	0.8
235.12956	0.9
245.06354	4.5
263.19891	1.2
275.17654	0.6
279.16971	2.9
289.05322	2.6
303.02051	0.6
307.10709	1.1
321.18042	8.3
355.17264	11.3
357.18158	1.4
397.18341	26.9
424.16681	0.7
441.17365	100.0
441.24481	16.2
442.17624	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98082	1.7
53.03952	2.0
55.01873	3.6
55.05516	42.9
57.03442	16.6
57.07072	10.2
65.03943	3.6
65.57419	1.7
67.05510	69.5
69.07073	56.5
71.04999	3.5
71.08643	3.4
71.38679	3.1
79.05503	29.4
81.07064	100.0
83.04971	4.2
83.08161	2.1
83.08631	39.5
83.09128	2.7
85.06548	3.7
87.00828	14.4
91.05489	19.4
93.07050	32.4
95.05009	1.9
95.08617	78.4
96.08917	1.9
97.06530	6.9
97.10172	27.5
99.08099	2.1
105.01885	7.6
105.07033	14.0
107.08605	27.7
107.89645	1.4
109.06505	3.8
109.10165	41.5
111.08098	4.6
111.11725	7.7
117.07019	2.4
119.08595	15.5
121.10158	27.2
123.08088	3.8
123.11705	19.3
125.09679	1.9
125.13249	2.0
131.08594	3.4
133.10172	14.7
135.11700	21.2
137.09589	2.7
137.13261	6.8
139.07553	3.1
139.11232	3.0
143.03436	7.2
145.10222	2.1
147.11678	10.9
149.13252	15.5
151.11162	1.5
151.14844	2.7
153.09129	2.2
153.12704	2.0
161.04449	2.1
161.13278	11.2
163.14822	11.0
165.12723	2.1
165.16478	1.7
167.14337	1.9
171.11752	2.7
173.13161	2.8
175.14847	5.4
177.16348	2.1
179.14326	2.3
189.16350	2.9
191.17995	2.2
201.16385	1.9
203.17924	1.8
219.17406	3.1
245.22685	18.3
263.23706	34.6
281.24722	9.7
305.24911	7.5
313.21649	2.1
331.22647	6.8
337.27341	5.0
349.23737	38.4
349.26913	1.5
355.28421	10.1
367.24707	10.6
423.27380	14.0
423.32413	2.7
441.28479	59.0
441.33780	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0789
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
50.69027	1.8
55.06108	2.3
56.96556	3.2
67.90058	1.9
70.06580	8.4
70.96091	4.1
72.08142	2.2
85.02889	3.9
95.23028	1.9
97.02882	3.1
98.97581	10.3
101.00887	2.3
110.07166	3.6
110.97553	5.0
116.07063	3.4
116.98597	6.5
118.08654	4.6
119.01868	3.2
128.98599	3.3
131.01942	2.5
136.72032	1.8
143.00163	2.4
143.01901	3.0
145.03525	2.4
155.01965	2.4
156.04198	7.2
157.07184	2.6
159.90303	2.0
170.99658	4.3
173.02945	2.6
189.00749	3.5
201.00655	4.0
219.01744	4.8
221.05203	2.2
233.07051	5.0
237.02547	2.7
261.02802	6.2
275.53635	1.9
279.03839	3.4
279.07550	4.9
297.61703	2.2
321.04910	4.3
323.10025	3.7
327.20636	2.3
358.97101	2.2
397.08920	7.6
415.37823	2.9
441.07928	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.4
56.05033	0.6
60.04520	0.4
60.48922	0.3
60.64209	0.4
63.68866	0.3
67.05530	0.6
69.03413	0.7
69.07040	0.5
70.06599	3.5
71.04978	1.5
72.08143	1.4
81.03404	0.6
81.07048	0.5
84.04498	0.6
84.08139	1.1
85.02921	1.8
86.06077	1.2
86.09697	1.4
87.04501	0.5
91.05502	1.8
93.07083	0.6
94.04207	0.9
94.49011	0.4
95.04972	0.6
96.08136	0.7
97.02899	0.8
97.06546	0.4
98.97574	0.3
105.07014	0.4
107.04959	0.7
110.07191	0.6
111.04487	0.4
116.07070	0.4
117.03363	0.7
120.08107	1.1
122.03638	3.1
124.04000	0.6
124.07599	7.8
127.03869	0.4
128.07065	1.1
129.10258	0.7
135.04419	1.0
136.07585	1.5
137.05983	100.0
138.06314	0.7
142.08653	8.7
145.02853	1.2
148.03876	0.5
163.03891	3.1
166.05017	0.4
167.07082	2.9
175.06061	0.6
177.05475	1.2
193.04959	2.1
199.13443	0.4
213.12474	0.6
218.08185	0.4
230.62125	0.4
244.09183	0.3
252.12352	0.4
260.12842	4.4
278.13910	63.4
279.14236	1.0
280.09845	0.6
309.07001	0.5
326.10120	0.5
339.12506	0.4
352.08279	0.5
375.14447	1.0
396.14291	2.2
440.13242	7.7
440.19415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61811	1.0
55.01857	1.1
56.05021	0.9
57.64659	0.9
58.99577	3.9
61.01157	0.8
67.05470	1.0
69.03428	1.4
69.07062	1.5
70.06596	17.0
71.05002	1.5
71.06937	1.0
72.08173	5.4
76.02225	8.1
79.06208	0.9
81.03416	1.4
81.07059	1.0
84.04503	4.1
84.08139	5.5
85.02895	3.0
86.06046	2.6
86.09730	7.3
86.99047	2.7
89.03976	1.0
91.05490	1.4
93.07037	1.2
97.02885	2.2
100.02241	6.0
102.03744	1.1
105.00125	1.5
107.04981	1.1
110.06056	1.0
110.07194	2.4
115.07583	0.9
116.07078	1.6
117.03336	1.3
119.04987	1.4
120.08129	2.8
123.04449	1.5
124.07600	3.0
126.23632	0.9
127.03956	1.3
129.10222	2.5
130.05032	1.0
135.04413	2.0
136.07594	3.7
137.05989	28.5
137.07065	1.4
138.05501	1.8
142.08691	1.7
145.02855	3.8
146.02705	6.4
146.06050	1.8
150.05525	1.3
151.03954	1.0
153.64771	0.9
155.06996	1.0
158.09738	1.3
163.03876	7.6
164.04384	1.1
164.07086	1.6
167.07074	1.3
170.09714	1.7
172.07620	2.1
175.06073	2.4
175.08696	2.9
177.05504	2.3
186.09122	1.7
188.03725	3.0
189.10291	1.4
196.07695	1.9
198.09225	5.4
199.08614	1.2
199.13181	1.3
200.07216	1.5
200.10764	1.3
210.09038	1.4
211.08667	0.9
212.10896	1.3
213.10260	7.8
213.12251	2.0
214.08641	2.8
215.11838	4.2
217.09753	3.5
224.07169	1.2
226.07375	1.6
227.08459	1.5
227.11850	3.4
231.11388	2.1
235.10732	7.2
240.09073	3.1
241.09714	27.1
242.04720	1.3
242.08139	4.2
242.10417	2.4
243.09172	1.4
243.11368	15.8
254.10486	2.3
255.11307	6.0
256.10095	1.3
257.12772	2.2
258.12378	10.8
259.10806	27.2
260.09137	2.7
271.09085	1.4
271.13293	1.2
273.06943	1.6
273.12473	1.8
278.14081	19.0
283.10834	7.7
284.09259	1.7
284.14056	1.3
285.12384	10.5
286.09476	2.3
296.30588	1.0
299.08575	4.0
301.11856	29.0
302.10181	2.6
303.13428	2.7
317.13687	18.0
318.12695	4.1
319.12881	5.2
326.09964	1.4
326.15121	1.4
333.09445	1.4
336.85629	1.0
362.11694	10.3
363.10135	3.4
378.15115	1.1
396.14243	2.0
404.12775	18.7
405.11374	5.0
422.13840	100.0
423.12143	9.1
440.13034	3.7
440.24622	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.05511	13.1
57.07059	5.7
61.41513	1.2
62.70064	1.2
67.05498	16.3
69.07068	19.0
69.78295	4.3
69.78698	2.1
71.08614	1.9
79.05489	11.2
81.06595	2.1
81.07058	37.3
83.08611	9.8
91.05484	11.8
91.31142	1.2
91.86094	1.3
93.06487	2.3
93.07042	30.7
95.08609	68.6
96.74799	1.2
97.10164	5.9
98.97596	3.3
105.07033	29.4
106.14536	1.4
107.08598	50.6
109.10156	45.1
109.10717	0.9
111.11735	2.2
117.06987	2.5
119.08584	51.0
121.10144	42.4
123.11707	21.7
131.08589	4.2
133.10126	41.4
135.10709	2.4
135.11700	37.4
137.13275	12.6
139.07530	2.6
143.08568	1.4
145.10164	8.7
147.11688	39.2
149.13258	28.0
151.60994	1.2
153.09064	5.2
154.55298	1.3
158.99651	2.2
159.11714	7.2
160.12463	2.7
161.13260	23.7
162.13693	1.4
163.14818	12.1
167.10664	2.7
171.11722	1.4
173.13257	6.6
175.14850	14.8
177.16371	6.3
179.10637	2.7
179.17934	2.1
187.14796	6.3
189.16385	72.0
191.17953	69.7
201.16400	20.8
203.17958	100.0
205.19501	31.4
207.13649	1.5
207.17476	3.0
213.16380	3.2
215.18030	8.3
217.19510	14.9
221.18990	3.1
231.21039	3.1
235.16942	8.0
243.21066	2.6
245.22650	3.3
247.16908	9.9
249.18486	12.7
257.22498	1.5
261.18484	4.8
263.06207	1.5
329.24512	1.8
355.26102	1.7
358.16898	2.6
393.35117	9.4
421.34848	1.6
439.19159	9.0
439.29904	2.4
439.35745	36.4
439.69434	2.9
440.35663	1.3
440.42978	1.8
449.66837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.0
57.07064	4.2
67.05516	9.6
69.07074	12.6
71.02879	3.2
79.05493	7.9
81.07067	26.0
83.08618	10.4
83.54723	1.4
91.05466	7.1
93.07056	22.3
95.08617	49.0
97.10175	3.5
105.07041	19.9
107.08600	35.7
109.10165	37.0
111.11665	1.6
117.07032	2.5
119.08595	36.7
121.10158	31.4
123.11729	15.7
125.05974	1.5
129.47972	1.2
129.58723	1.5
131.08553	3.1
133.10143	34.0
135.11714	24.5
137.13239	6.8
145.10123	5.6
147.11703	32.2
149.13274	24.8
153.09099	4.8
159.11713	4.7
161.11963	2.0
161.13278	19.9
163.14857	9.8
165.09142	1.4
167.10678	2.7
173.13301	3.2
174.14107	1.3
175.14836	8.3
177.16473	8.1
179.10631	2.2
187.14880	4.4
189.16393	52.9
191.17952	74.0
201.16400	20.4
203.17973	100.0
205.19528	28.4
207.17424	2.8
213.16473	2.4
215.17935	5.2
217.19562	13.3
221.15448	2.3
221.19032	3.4
229.19521	2.5
231.17473	2.6
231.21071	3.2
235.16904	7.7
245.22655	4.7
247.17029	7.7
249.18506	19.9
257.22733	3.8
261.18585	3.0
315.23227	1.7
393.35037	7.8
439.35739	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	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05505	3.6
57.07071	2.3
59.04989	2.3
67.05515	7.5
69.07060	7.6
71.53008	2.2
72.47537	1.5
79.05498	2.9
81.07066	9.0
83.04972	1.8
83.08616	4.6
89.06026	4.5
91.05482	3.4
91.68229	1.3
93.07042	6.6
95.08611	52.1
105.07034	4.5
107.08585	8.4
109.06516	2.0
109.10160	10.0
116.22925	1.5
119.08588	8.4
121.10148	9.3
123.08054	3.2
123.11700	5.3
125.09702	1.4
131.08543	2.3
132.13084	1.5
133.08621	3.6
133.10153	9.1
135.08083	2.3
135.11702	5.3
137.13242	3.2
143.08577	1.6
145.10133	4.0
147.11736	2.1
149.09631	7.4
149.13295	3.3
151.11220	2.4
157.10197	1.9
159.11700	2.9
161.13191	1.7
162.55063	1.3
163.11169	2.1
171.11687	3.1
173.09566	1.9
173.13266	4.2
175.11200	2.6
175.14861	1.7
177.12744	1.3
187.14763	1.9
189.16371	5.8
191.18007	2.8
201.16365	1.7
203.18149	2.4
205.19531	1.6
215.14468	2.0
230.82648	1.7
231.17400	2.1
239.14917	4.3
240.15141	2.6
243.17076	1.8
259.20657	1.8
269.26859	1.6
279.72220	1.6
283.20419	2.2
313.24982	1.7
327.26813	4.0
381.31747	2.6
393.31573	1.9
402.05026	1.4
421.34686	33.7
439.35739	100.0
440.36505	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05511	14.7
57.07068	4.9
67.05511	17.0
69.07072	20.0
69.32692	1.8
69.33101	7.3
70.08144	1.0
71.08647	1.6
73.69830	1.0
79.05497	11.3
81.06593	2.0
81.07059	36.4
83.08620	9.8
91.05484	11.3
93.06488	2.4
93.07047	31.6
95.08610	70.5
95.65107	1.0
96.08937	1.4
97.10191	5.5
98.21560	2.4
105.07030	31.8
107.08593	45.9
109.06510	1.7
109.10161	40.0
111.08104	1.3
111.11694	1.2
112.05348	1.0
117.07007	3.1
119.08582	53.1
121.10143	37.8
123.08069	3.1
123.10847	1.2
123.11714	18.1
123.66588	1.3
125.05980	1.4
129.06940	1.2
131.08556	7.1
133.09123	2.0
133.10132	39.5
135.08072	2.5
135.11697	32.6
137.05988	1.3
137.13264	10.4
139.07559	1.7
143.08583	3.3
145.10133	9.3
147.11693	38.8
149.13263	27.1
151.14806	2.0
153.09120	5.9
157.10149	2.4
159.11697	8.0
160.00488	1.1
161.13264	26.4
163.14819	11.2
165.09152	2.3
167.10709	3.0
171.11697	2.5
173.13266	5.5
174.14020	1.4
175.11215	1.8
175.14850	14.2
177.16402	8.4
179.10747	2.4
179.14342	1.8
179.17966	1.3
185.13295	1.6
187.14818	7.0
189.16394	63.2
191.17953	78.4
193.04985	1.3
193.12215	1.3
197.13274	1.2
199.14882	2.0
201.16383	21.7
203.17963	100.0
204.18333	1.3
205.19508	29.3
207.17426	3.6
213.16348	3.0
215.17961	8.3
217.19492	12.8
219.17441	2.0
219.21155	1.7
221.15269	1.4
221.19032	3.9
227.17950	2.3
229.19597	2.2
231.17459	2.1
231.21150	3.5
235.13383	1.7
235.16920	7.9
241.19647	2.7
243.21132	2.3
245.22626	5.2
247.16953	10.6
249.18529	18.3
257.22632	2.4
261.18634	5.3
269.22684	1.5
275.20157	1.7
283.23947	1.7
287.19922	1.5
289.21698	1.7
393.30878	2.7
393.31799	1.9
393.35538	7.7
421.29828	2.3
439.22128	1.5
439.36285	36.1
440.36148	1.7
449.06046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.2
57.07068	3.9
67.05511	13.8
69.07072	14.7
70.62073	1.5
70.79971	3.5
79.05502	9.4
81.07059	30.5
83.08634	7.6
91.05002	1.6
91.05469	9.5
93.07046	22.4
95.08610	58.3
97.10173	5.3
105.07036	18.4
107.08595	35.3
109.10162	37.7
119.08585	43.3
121.10146	30.8
123.11702	18.0
131.08562	4.2
133.10143	31.1
135.11691	26.9
137.13284	9.2
139.07523	2.3
145.10135	5.5
147.11699	30.0
149.13260	20.3
153.09108	5.8
159.11674	3.5
161.13280	20.8
163.14842	10.1
167.10751	3.3
173.13261	3.3
174.68535	1.3
175.14827	11.5
177.16399	5.7
179.10640	1.9
179.17984	2.9
187.14801	5.5
189.16393	55.7
191.17946	65.3
201.16418	15.6
203.17963	100.0
205.19524	26.3
207.17427	3.5
213.16422	3.8
215.17934	8.3
217.19507	11.8
219.21014	1.6
221.19049	3.6
229.19624	1.7
231.21077	3.2
235.16905	7.0
243.21388	1.8
245.22688	4.1
247.16881	7.9
249.18510	17.3
255.21013	1.4
257.22672	1.7
259.17130	1.9
261.18500	5.5
283.24225	1.6
315.23260	1.7
355.26254	1.8
360.01123	1.6
373.49539	1.5
393.35135	10.3
395.52664	1.6
439.35706	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.3
57.07067	5.4
65.23079	1.6
67.05511	11.0
69.07072	14.5
69.96517	7.5
79.05506	7.3
81.07061	29.8
83.08614	10.2
89.21390	1.8
91.05477	6.4
93.07051	22.7
95.08611	52.7
97.10188	3.7
105.07028	23.4
107.08599	35.6
109.10161	37.0
111.08041	1.9
115.87962	1.5
117.07019	2.2
119.08593	43.9
121.10146	38.9
123.11697	16.7
131.08609	6.0
133.10139	35.2
135.11703	27.6
137.13246	9.6
145.10150	6.0
147.11693	34.8
149.13263	23.1
153.09097	9.5
159.11707	5.5
160.12630	2.0
161.13257	16.4
163.14809	10.5
167.10748	3.8
169.24788	1.9
173.13284	5.8
175.14780	8.8
177.16397	6.4
179.10655	2.2
181.32332	1.6
183.53583	1.5
187.14844	5.3
189.16388	54.5
191.17961	72.1
201.16396	18.6
203.17966	100.0
205.19540	24.7
207.17532	1.5
213.16360	1.8
215.18031	3.9
217.19545	15.0
221.18971	4.6
231.17400	3.5
231.21149	3.8
235.16975	5.5
243.21164	2.5
247.16956	6.9
249.18529	20.1
261.18546	4.0
289.21414	1.7
301.21799	1.5
393.35178	8.4
422.56403	1.6
439.35782	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96688	1.0
53.03948	3.0
55.05516	12.1
57.07084	5.5
57.07322	1.1
62.55552	1.1
65.03963	1.5
67.05505	15.3
69.07069	20.5
70.97729	2.8
71.08636	2.3
79.05489	9.0
81.07060	27.2
83.08627	11.6
85.10161	1.2
89.06037	1.8
91.05508	8.8
93.07049	24.9
95.08611	58.9
97.10189	4.6
105.07035	28.0
105.07689	1.8
107.08601	45.4
107.09308	2.4
109.06525	1.7
109.10163	39.2
111.11819	1.9
117.07018	2.0
119.06162	1.3
119.08589	49.1
121.10155	37.6
123.11713	14.7
125.06019	1.4
125.09675	1.4
131.08609	4.7
133.10143	39.7
135.11696	29.5
135.12732	1.6
137.13329	4.6
143.08687	1.7
145.10147	6.6
147.11703	38.3
149.13275	19.0
153.09181	4.5
159.11723	6.6
161.13263	23.0
163.14844	15.5
165.09131	1.4
167.10751	3.3
173.13271	3.6
175.14830	12.3
177.16423	6.7
179.10713	1.5
179.18044	1.3
185.13280	1.6
187.14825	5.5
189.16396	58.9
191.17957	78.2
199.14841	1.7
201.16341	13.0
203.17966	100.0
205.19521	18.9
207.17526	2.6
213.16484	1.8
215.18065	4.9
217.16046	1.7
217.19525	13.7
221.18968	5.4
229.19484	1.7
231.17436	2.0
231.21239	4.8
235.16904	6.4
241.19579	1.5
245.22826	2.7
247.17093	5.3
249.18507	22.7
249.20862	1.5
261.18634	2.3
275.20218	1.3
277.21906	1.3
313.69858	1.2
341.29953	1.5
355.26593	1.2
393.35181	9.5
421.34927	4.1
439.22836	3.3
439.36041	38.0
463.62866	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57706	1.5
53.03947	1.4
55.05517	9.7
57.07060	3.1
65.03922	1.3
67.05504	11.5
69.06792	1.0
69.07072	11.7
69.84759	5.0
69.85162	2.0
79.05495	8.3
81.07059	26.9
83.08616	8.8
91.05482	9.9
93.07055	23.3
95.08612	52.4
97.10175	4.5
98.20821	1.7
105.07036	24.6
107.07882	2.0
107.08600	37.1
109.10161	30.9
111.11742	1.4
117.06982	1.5
119.08586	40.2
121.09338	2.1
121.10148	28.2
123.11706	15.1
131.08582	4.0
133.09128	1.9
133.10136	31.8
135.11694	25.1
137.13237	5.4
139.14906	1.0
139.29858	1.2
145.10106	8.2
147.11690	31.7
149.13258	18.1
151.07516	1.5
152.54008	1.1
153.09111	6.2
157.10054	2.7
158.98999	1.2
159.11688	5.1
161.13272	19.1
163.14847	8.3
167.10683	3.5
173.13275	5.1
174.13963	1.7
175.11263	1.1
175.14845	13.2
177.08966	1.1
177.16385	4.6
179.10652	2.1
187.14873	5.6
189.16382	46.0
189.20724	1.1
191.17949	80.3
193.12274	1.5
197.91661	1.2
201.16399	12.6
203.17966	100.0
204.18246	1.5
205.19536	19.7
207.13817	2.1
207.17398	2.6
215.17984	6.2
217.16069	1.5
217.19530	14.8
221.18974	4.6
229.19473	1.6
231.17448	3.1
231.21095	4.1
235.16957	5.9
240.03227	1.1
243.21136	2.1
245.22617	2.9
247.16951	7.8
249.18529	19.8
257.22488	1.4
261.18530	1.7
287.19949	1.5
301.21805	1.2
393.35159	9.5
421.31009	1.7
439.35977	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03942	2.1
54.93150	1.3
55.01865	1.4
55.05269	1.6
55.05513	18.4
57.07073	4.7
59.05001	7.8
60.99423	1.4
63.30428	1.3
65.03931	1.5
67.05507	26.0
69.03424	2.2
69.07068	29.5
69.30653	10.8
71.05006	10.8
71.08648	1.8
73.06547	3.0
77.03918	1.5
79.05491	23.2
81.07057	55.6
83.04984	4.8
83.08633	11.6
85.06554	3.6
87.15625	1.2
89.06025	20.5
90.06374	4.6
91.05479	19.7
92.90116	1.3
93.07043	50.1
95.04983	2.9
95.08611	46.4
97.06538	5.6
97.10181	5.6
98.20837	3.7
98.21511	2.5
99.08058	2.9
101.05968	1.3
105.07030	46.8
107.08601	52.4
109.06522	4.3
109.10160	44.9
111.08082	10.3
111.11765	2.4
113.09652	3.8
115.05412	1.5
117.07037	8.0
119.08584	45.7
121.10148	42.1
123.08073	4.7
123.11717	16.6
125.09637	6.6
127.11171	7.6
128.06244	2.2
129.07016	4.5
130.07784	2.2
131.08565	22.5
133.08644	7.9
133.10139	45.3
134.08965	3.6
135.11699	23.8
137.09610	14.1
137.13286	4.5
139.11234	3.5
141.07027	1.9
142.07829	3.6
143.08569	13.4
143.87386	1.4
144.09343	3.0
145.10121	37.5
146.10893	1.9
147.11687	31.8
149.09641	8.5
149.13264	14.8
151.11197	14.3
153.12781	1.8
155.08559	3.4
156.09383	2.7
157.10141	18.5
158.10918	3.7
159.11691	34.2
160.12526	2.1
161.13261	18.9
163.11198	8.4
163.14830	5.7
165.12762	7.7
167.08690	1.4
168.09299	1.2
169.10150	4.0
170.10912	1.5
171.11703	13.6
173.13280	23.5
175.14845	16.7
177.04272	1.3
177.11256	2.1
177.16426	3.6
179.14343	2.4
181.12228	8.0
183.11681	7.2
185.13257	17.3
187.14806	22.8
189.12794	1.5
189.16382	13.2
191.14264	2.1
191.17955	4.9
192.24117	1.3
193.15901	3.7
195.11795	2.4
196.12494	1.6
197.13290	5.2
199.14807	14.3
201.16377	20.3
203.17978	10.0
205.15921	3.4
209.13298	2.4
211.14857	5.8
213.16377	14.5
215.17940	27.0
217.19666	1.8
219.17500	3.6
223.14812	1.6
225.16336	6.0
227.17931	11.2
228.18707	7.1
229.19481	7.4
231.21085	1.6
233.19086	2.8
239.14944	15.6
239.17970	5.4
240.15218	10.3
241.19531	3.1
243.21104	2.0
247.20819	1.5
253.19536	4.4
255.21103	7.2
257.22678	4.4
267.21118	3.6
269.22565	6.7
271.24167	1.9
273.22137	1.8
279.21237	1.9
281.22684	4.5
283.24234	3.2
287.23865	1.8
295.24127	7.1
297.25671	1.5
309.25876	1.6
313.25290	3.0
321.25833	2.0
323.27463	4.5
349.29001	4.1
353.28595	2.5
367.30042	5.2
381.31683	2.2
403.33270	2.5
421.34711	23.1
439.35800	100.0
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
55.05511	14.9
57.07060	6.6
62.04953	4.9
67.05501	24.0
69.07076	38.3
71.08624	6.1
71.29627	5.6
71.29961	6.5
79.05517	12.8
81.07053	53.9
83.08614	15.6
87.04468	8.1
89.06023	21.8
91.05468	20.8
93.07053	28.2
95.08611	64.1
105.07022	24.3
107.08591	60.5
109.10162	52.2
111.11732	6.7
117.07023	6.1
119.08591	91.3
121.10148	73.3
123.08024	8.9
123.11696	28.3
131.08559	17.6
133.08588	8.3
133.10139	46.7
135.11670	23.9
137.13223	13.0
143.08582	11.2
145.10133	21.8
147.11728	27.3
149.13229	12.5
156.09322	5.7
157.10124	20.9
159.11751	36.7
161.09691	7.9
161.13206	15.3
164.70427	7.0
171.11684	15.3
173.13257	33.7
175.14822	25.5
177.16435	10.8
183.11607	6.2
185.13210	9.0
187.14825	11.6
189.16367	14.1
191.17950	18.7
199.14825	20.1
201.16409	6.4
203.14308	6.4
203.18001	13.8
213.16376	12.2
215.17813	6.0
217.15944	17.0
217.19498	22.5
227.81673	5.5
235.16991	60.8
239.14883	19.6
240.15388	12.0
269.22769	5.5
281.23019	6.7
293.22681	7.6
311.27399	8.6
403.33606	9.4
421.34680	38.4
439.35770	100.0
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
55.05516	11.8
56.96560	1.9
57.07071	5.7
58.10568	1.7
60.48005	1.5
62.29585	1.4
65.03916	2.1
67.05508	16.1
68.36294	1.5
68.79588	1.3
69.07067	16.9
70.06622	1.7
79.05505	12.7
81.07056	31.6
83.07779	1.5
83.08628	11.0
91.05493	11.5
93.07046	30.0
95.08609	65.9
97.10178	7.1
98.97598	6.4
105.07025	28.3
107.08599	48.8
109.06600	1.9
109.10155	42.2
111.11723	2.1
116.96365	1.4
119.07715	3.1
119.08576	50.9
121.10142	35.1
123.08111	2.3
123.11732	14.8
124.19297	1.5
125.09638	4.5
131.08597	7.0
133.10132	37.4
135.11708	25.7
137.13260	10.4
143.08534	2.2
145.10112	9.3
146.43712	1.6
147.11682	37.1
149.13251	20.4
153.09116	6.9
157.10132	2.1
159.11687	9.8
161.13274	21.3
163.07643	1.6
163.14848	10.8
167.10646	3.2
173.13315	4.3
175.14859	13.0
177.16359	8.1
185.13155	2.0
187.14819	8.2
188.15204	3.5
189.16377	55.7
191.17952	79.0
193.12193	1.6
199.14784	1.6
201.16391	17.7
203.17958	100.0
205.19540	23.8
207.13829	2.6
207.17471	1.7
213.16321	2.2
215.17961	7.0
217.19499	9.2
219.21175	2.5
221.15359	3.5
221.19008	5.9
227.17929	1.8
229.19624	1.7
229.27277	1.5
231.17513	2.7
231.21213	2.8
233.15393	2.8
235.16945	9.3
242.20055	2.1
245.22784	2.7
246.94531	1.7
247.16856	10.2
247.23239	1.8
248.82225	1.8
249.18495	24.1
261.18634	3.6
287.20175	2.2
315.23276	2.5
385.46960	1.8
393.35236	7.7
439.22998	2.3
439.35959	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	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03950	0.6
55.05503	0.5
56.05027	0.4
56.96558	0.6
60.04541	0.4
67.05496	0.5
69.03423	1.0
69.42728	2.5
70.06597	8.2
71.95374	0.4
72.08165	3.3
81.03416	0.6
81.07040	0.4
83.65533	0.3
84.04507	0.5
84.08151	3.6
85.02918	0.8
86.09719	4.2
91.05480	2.0
93.07070	0.7
93.42256	0.4
95.08643	0.5
97.06534	0.5
105.07040	0.6
107.08540	0.6
109.02917	0.4
109.10178	0.5
110.07185	1.4
112.08731	0.4
112.11263	1.0
118.06864	0.7
119.04942	3.2
120.05276	1.8
120.08105	2.3
121.06493	0.5
127.03955	0.5
129.10265	1.1
131.08665	0.5
132.08092	0.8
133.10188	0.5
135.08083	0.7
141.10239	0.4
147.04419	18.9
148.04755	7.8
155.11786	0.4
159.09198	0.6
161.06084	0.5
163.07568	0.5
169.13570	0.5
170.06079	0.4
177.05447	0.8
191.02763	2.8
201.03732	4.0
201.12732	0.6
203.05286	6.7
204.10194	5.5
205.10576	5.4
218.11900	0.5
219.12189	0.7
223.69107	0.3
234.76097	0.4
257.08002	0.3
259.16702	3.6
261.18280	9.3
274.12000	0.7
276.17929	0.4
289.43393	0.4
292.20221	1.0
293.20645	1.5
354.23108	0.4
381.56982	0.4
439.23273	100.0
440.23373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2307
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
51.29005	0.4
53.18053	0.4
55.01867	0.5
55.05504	0.9
56.05025	0.4
66.24391	0.4
67.05479	0.6
69.03451	0.4
69.68088	2.3
70.06602	7.0
72.08155	1.7
79.05499	0.7
81.03397	0.4
81.07053	0.8
83.04998	0.8
84.04517	0.6
84.08156	5.3
85.02908	0.9
85.08507	0.5
86.09228	0.6
86.09722	7.0
87.05560	0.4
91.05494	1.1
93.07072	0.7
95.08613	0.7
97.02873	0.9
103.05489	0.5
105.07040	0.8
107.08581	0.4
110.07202	1.2
115.05035	0.4
115.08726	0.7
116.07082	1.6
116.48054	0.4
119.04955	1.3
120.08088	2.4
121.06519	0.7
127.03989	0.5
129.10223	1.1
135.08029	0.7
137.05991	0.6
143.11723	0.5
145.10133	0.5
147.04411	3.9
148.04767	1.8
157.13365	0.5
159.09174	0.5
163.07564	0.8
173.13290	1.0
201.03709	5.3
201.12979	0.4
203.05281	6.5
204.10228	1.3
205.10446	0.6
259.16647	3.1
261.18280	10.1
324.37814	0.4
371.74118	0.4
439.23138	100.0
440.23615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87855	1.3
53.03939	1.6
55.05521	11.3
57.07077	2.9
67.05508	11.1
69.07074	17.7
70.08573	1.3
71.02955	2.8
79.02322	1.4
79.05504	9.1
81.07068	27.1
83.08630	9.1
91.05482	7.8
93.06503	1.4
93.07060	26.6
95.08620	49.7
97.10170	4.4
105.07034	22.2
106.97760	1.3
107.07883	2.2
107.08603	38.0
109.10162	35.4
119.08592	43.9
121.09334	2.5
121.10155	36.1
123.11739	16.6
131.08586	3.3
133.10139	30.1
135.11707	25.7
137.13263	6.6
139.07637	1.9
145.10104	5.0
146.11012	1.2
147.11696	31.4
149.13281	23.9
153.09097	5.8
159.11687	5.8
160.50021	1.4
161.09599	1.3
161.13261	16.0
163.14842	9.2
165.09064	1.5
167.10735	4.0
173.13272	3.0
175.14842	12.0
177.16394	5.8
187.14835	4.0
189.16396	53.7
191.17975	75.4
198.62270	1.5
199.14877	1.5
201.16411	19.3
203.17982	100.0
205.19519	28.6
207.14011	1.6
207.17409	2.6
215.17953	5.2
217.15894	1.2
217.19539	15.2
219.21019	1.5
221.15520	1.8
221.19023	4.0
231.17487	2.5
231.21080	3.3
235.16986	9.9
241.19574	1.6
245.22667	4.7
247.16936	9.3
249.18507	16.9
255.21396	1.5
257.22656	2.2
261.18515	3.5
269.22708	2.1
273.18375	1.8
303.24002	1.3
393.35391	7.7
439.35712	34.6
440.35550	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03746	0.7
53.03951	6.6
53.32572	0.6
55.01867	2.5
56.05021	0.7
61.02919	0.6
65.03931	2.2
66.07125	0.5
67.05509	3.8
69.03429	0.9
69.07079	1.1
69.33601	1.6
69.34014	3.2
70.06596	13.1
71.01352	1.2
71.04989	0.8
72.08160	3.3
74.06094	0.7
77.03931	1.6
79.05487	2.2
79.83540	0.6
81.03437	1.1
81.07067	1.5
84.04498	2.3
84.08147	3.1
85.02882	1.2
86.09705	6.6
88.03950	1.2
91.05472	1.9
93.03378	0.8
93.06998	0.7
95.04974	58.6
95.08594	0.7
97.02908	0.9
102.05550	0.8
103.05472	1.0
103.32438	0.6
105.03345	0.7
105.04509	3.9
107.04941	3.4
107.08606	0.7
108.02104	1.2
109.02841	0.8
110.03658	1.4
110.07153	2.1
111.04438	1.1
116.07087	2.2
117.03422	0.8
119.04948	1.2
120.08101	3.9
121.06490	1.7
123.04434	69.6
125.02376	1.6
125.06024	3.3
127.07603	0.8
129.10222	1.3
133.02870	0.9
135.04448	3.1
136.07558	1.8
137.05983	4.0
139.07538	0.8
140.04681	18.4
141.05414	0.9
145.02870	1.7
147.04408	3.2
148.93536	0.8
149.05968	3.4
150.06741	1.6
151.03922	32.6
151.05005	2.5
151.07516	1.2
153.05469	3.0
154.08569	1.0
155.07037	37.8
157.13380	0.9
161.05917	0.9
163.03880	1.7
165.05536	2.9
167.07036	17.4
167.08440	1.0
177.05484	6.3
178.06255	4.2
179.07056	3.9
182.05836	0.8
183.06538	100.0
191.03450	3.7
191.06906	0.8
193.04997	1.8
195.06512	7.3
196.07303	1.7
207.06487	1.0
213.07558	1.5
213.12338	3.4
225.07587	13.9
227.09184	0.7
243.08708	2.3
277.11902	1.0
297.07608	0.6
325.11182	0.7
329.10156	1.8
395.13065	2.1
439.11807	8.7
439.24319	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90796	1.4
55.05501	3.0
56.05027	2.8
56.96559	1.7
57.03424	1.6
60.04524	2.8
61.02904	2.1
67.05518	4.1
69.03437	8.4
69.07069	1.8
70.06595	24.1
71.51689	2.3
72.08169	12.5
73.15810	1.6
74.06068	5.0
75.04449	1.9
79.05470	7.2
81.03433	3.3
84.04494	9.0
84.08144	12.6
85.02912	15.2
86.09702	12.4
87.04464	1.9
87.05575	2.2
88.04002	6.4
91.05482	5.1
91.37166	1.5
93.07039	13.7
95.04951	2.4
95.08616	19.5
97.02893	7.0
97.18029	1.8
98.97575	2.1
102.05549	4.2
103.53078	1.6
107.04956	3.8
109.02883	2.9
109.06519	1.9
109.10187	2.4
110.07175	6.1
116.07100	2.6
116.98621	2.2
119.04990	2.6
119.08590	3.7
120.05756	1.6
120.08131	12.0
121.06504	1.7
122.02734	4.0
123.04461	2.2
127.03920	4.5
129.10210	5.7
130.05031	2.0
135.04405	3.4
136.07539	3.5
137.05981	7.4
137.09619	29.0
145.02846	1.7
145.04947	1.7
147.04446	2.6
148.05223	8.4
149.05989	2.1
151.07613	5.1
152.07082	5.8
154.06229	5.8
161.06003	2.5
163.03900	2.6
163.07617	2.3
164.07091	12.9
164.08289	3.1
165.05466	3.4
165.09041	1.8
166.06277	3.1
167.07065	13.6
169.08580	3.0
177.05490	13.4
178.04971	1.6
179.07051	4.2
180.07782	3.8
181.08607	87.4
187.14494	1.9
191.07011	3.9
192.07841	49.4
195.10207	5.4
207.10143	2.2
208.07262	1.9
223.09659	42.5
225.11197	1.9
226.08350	4.4
230.23679	1.5
241.10732	100.0
246.07516	3.8
251.06558	1.8
258.11700	7.6
270.16022	1.8
334.52548	1.7
438.14145	4.7
438.23450	4.6
439.16486	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2389
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
51.13914	0.3
55.05494	1.3
56.05019	1.1
58.06601	4.6
59.96947	0.4
60.04517	0.6
68.05033	0.5
69.03424	1.5
69.07063	0.5
69.75431	2.1
70.06207	0.5
70.06595	9.9
72.08157	20.0
74.06081	0.6
84.04502	2.0
84.08145	23.3
85.02917	1.8
85.06552	0.5
86.06073	0.6
86.09703	5.3
87.10016	0.4
88.04021	0.7
91.05478	4.7
97.02915	0.9
98.97593	0.4
102.05546	0.4
103.84998	0.4
104.05276	0.4
105.07063	0.4
107.04957	1.2
110.02414	0.9
110.07173	1.3
111.04419	0.6
112.11246	40.5
112.64858	0.4
116.07101	1.1
118.08658	10.0
119.04935	8.7
120.08118	3.0
129.10237	3.1
129.13882	15.8
130.05028	0.4
136.06212	0.6
136.07574	1.9
137.05965	2.1
137.07030	0.8
138.05481	1.2
142.34267	0.4
146.06010	1.0
146.16562	0.4
147.04411	38.2
151.07562	0.6
155.08130	2.0
155.11714	0.5
157.09857	0.5
162.09160	0.9
163.03911	1.1
164.07025	0.8
167.07022	0.7
201.12379	0.4
201.35732	0.4
203.11803	28.7
204.10204	15.5
209.12938	0.7
218.11835	2.0
220.09792	0.4
221.12726	0.5
221.92523	0.4
226.15459	0.7
231.06537	0.7
241.14299	0.4
251.07004	0.6
254.47485	0.5
258.11307	1.7
274.19159	5.6
275.17520	1.5
276.12396	2.0
277.07205	0.4
292.20178	3.8
321.15607	0.7
339.61496	0.4
346.33044	0.4
367.16489	4.8
420.16409	0.5
420.22861	0.8
438.23895	100.0
439.16028	3.3
439.24127	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.05510	0.6
56.05029	0.6
57.03438	3.7
59.05009	0.7
60.04528	1.4
61.02918	1.5
65.03925	0.7
68.05045	0.5
69.03089	0.9
69.03436	12.5
69.31642	3.6
70.06598	4.4
72.08157	3.1
73.02918	1.2
74.06083	0.8
78.71712	0.4
81.03420	1.7
84.04527	2.3
84.08141	3.9
85.01129	0.9
85.02911	18.1
86.09696	2.2
87.04469	4.9
87.05610	0.8
91.03928	0.6
93.07044	0.8
95.08600	0.8
97.02905	6.7
98.00642	0.9
98.97582	0.9
99.02692	1.5
99.04485	1.0
101.07108	0.6
103.03940	0.6
109.02885	1.9
110.07153	2.1
112.11246	0.7
113.02988	1.8
115.03937	3.6
116.07092	0.7
119.04920	0.6
120.08112	8.2
126.02824	1.0
126.03747	15.3
127.03906	2.1
127.04664	0.9
129.10234	2.0
133.04987	2.0
136.07573	0.9
137.05971	1.0
137.09602	1.2
144.04791	100.0
145.04967	1.9
145.05962	0.9
147.04433	1.2
150.05547	0.5
163.03896	0.5
164.07104	1.2
177.05464	0.8
177.10158	1.2
181.08626	1.4
186.05861	2.6
192.07877	0.7
204.10023	0.6
241.10706	2.0
248.96005	0.5
276.08960	0.6
276.12857	0.6
292.19852	0.6
306.10068	69.0
307.10379	1.0
321.15463	0.8
420.18500	0.6
438.14197	5.5
438.23578	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72136	0.6
55.05507	1.2
56.05043	1.6
57.03419	1.0
60.04534	1.1
61.02922	1.9
67.05467	0.8
69.03426	3.3
69.07072	0.8
70.06599	12.4
71.06904	1.0
72.08157	6.5
73.02889	1.3
74.06090	1.2
79.05499	1.2
81.03418	2.2
84.04505	5.6
84.08146	6.5
85.02916	14.0
86.06080	0.9
86.09705	8.8
87.04465	0.8
87.05619	0.7
88.03977	1.2
91.03970	0.8
91.05480	2.9
95.04984	0.9
97.02899	5.5
98.20727	1.3
98.97551	0.8
99.04430	1.5
101.07131	0.8
102.05535	1.9
103.05458	1.1
105.07056	1.4
107.04974	1.8
109.02881	0.9
110.07152	2.9
112.08714	1.1
112.11234	0.8
114.05515	1.9
115.08665	1.0
116.07074	0.7
119.04942	2.5
120.08112	3.2
121.06506	1.5
123.04369	0.7
127.03925	2.1
129.10188	3.5
130.05026	1.0
132.10173	2.1
135.04364	0.9
135.08008	1.0
136.05226	0.9
136.07581	1.4
137.05978	5.1
137.09605	1.7
138.06787	1.0
145.02855	0.8
145.04953	2.4
147.04413	2.5
148.05191	6.3
149.05991	2.7
150.06688	0.9
151.03912	1.2
151.07515	4.0
152.06989	1.2
154.06267	5.4
161.05965	1.4
163.03929	2.0
163.07535	2.2
164.04745	0.9
164.07065	5.6
164.08360	3.1
165.05486	3.0
165.09148	1.0
166.06276	2.0
167.07034	12.7
169.08638	2.3
177.05493	12.6
179.07030	4.7
180.07858	4.2
181.08601	91.9
182.08997	0.7
190.06270	1.6
191.07016	2.8
192.07826	50.3
193.05006	1.5
193.08554	1.6
195.10173	5.4
196.07297	1.9
197.08057	1.0
207.10141	1.3
208.07356	1.9
211.09608	1.9
223.09660	39.7
223.58060	0.7
225.11230	2.3
226.08379	2.5
229.83124	1.0
241.10719	100.0
242.11090	1.0
392.19498	0.9
421.17255	1.3
438.18799	1.0
438.23688	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.05510	11.6
57.07083	8.3
61.78664	1.3
65.03964	1.8
67.05511	24.5
69.07070	18.9
69.74897	3.2
69.75323	5.0
71.08634	2.8
71.12948	1.3
72.08157	26.9
79.05504	11.4
79.27950	1.3
81.07062	54.6
83.08625	10.2
89.06056	1.8
91.05466	8.8
93.07057	21.5
95.04968	1.4
95.08611	93.2
97.10188	5.2
98.20741	1.4
100.04990	1.3
104.51468	1.4
105.07044	21.8
107.08594	28.3
109.10159	35.5
109.41739	1.5
117.07027	5.4
118.08660	16.7
119.08586	36.4
121.10165	21.6
123.11707	20.7
129.07034	2.5
129.10239	4.9
131.08566	11.7
133.10133	20.2
135.11682	13.2
137.13263	12.9
143.08565	8.8
145.10127	30.3
145.72929	1.6
146.51768	1.4
147.11700	17.0
149.13260	11.2
151.14812	11.6
155.08572	2.4
156.09428	2.2
157.10114	9.1
159.11697	15.0
161.13300	13.2
163.14825	11.5
169.10147	4.2
171.11711	13.8
173.13290	16.5
175.10912	2.3
175.14821	23.4
177.09154	1.9
177.16422	7.8
179.17998	2.5
183.11743	4.7
184.98283	1.3
185.13239	6.7
187.14911	7.4
189.16394	17.1
191.17964	12.4
193.15988	1.5
197.13339	5.1
199.14818	12.5
201.16383	20.7
203.14294	1.8
203.17958	16.0
207.13759	1.7
211.14796	2.8
212.15471	1.5
213.16432	10.4
215.18005	9.3
217.19572	3.8
221.15353	2.8
223.14989	2.2
225.16518	6.5
227.17981	5.1
229.19576	4.6
231.17471	1.8
233.15411	2.1
235.17021	3.0
237.16585	1.6
239.17935	13.0
241.19518	27.7
243.21207	5.9
245.15529	2.2
247.17079	5.1
253.19489	7.5
255.21082	6.9
259.17047	6.1
259.20773	2.8
265.19626	3.2
267.21167	6.5
271.16995	2.8
273.18576	3.4
279.20953	1.7
281.22644	3.9
285.18503	12.8
287.20090	7.3
292.26407	2.6
295.24280	2.6
299.20102	6.1
307.24448	3.3
313.21774	4.6
320.25705	3.1
321.25919	2.0
335.27405	6.5
339.29062	1.7
349.28821	1.6
353.24835	2.0
381.27802	2.1
391.33676	24.9
391.38281	1.2
437.34286	100.0
438.34451	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.05511	7.6
57.07077	5.6
65.03948	1.4
67.05510	13.8
69.07076	13.8
70.56339	2.7
77.03938	1.2
79.05493	9.6
81.07056	39.4
83.08643	7.0
87.55737	0.9
91.05482	11.1
93.07049	22.0
95.04959	1.6
95.08605	57.3
95.42597	0.9
96.08912	1.0
97.10162	3.7
103.05513	1.3
105.07025	30.3
107.08595	32.5
109.06517	1.2
109.10159	23.7
111.11722	1.2
115.05497	1.1
117.07008	5.3
119.08584	35.3
120.08109	1.5
120.34218	0.8
121.10143	24.3
123.08109	1.6
123.11705	15.6
127.59979	1.0
129.07008	4.0
130.07806	1.2
131.04892	1.1
131.08572	25.6
133.10130	30.7
135.11682	14.1
137.05873	1.0
137.13263	12.0
142.07771	2.6
143.08568	8.9
145.10133	32.2
147.04410	2.9
147.11685	24.8
149.13252	16.0
151.14825	5.2
155.08519	3.6
156.09441	1.6
157.10143	12.9
158.10979	2.3
159.11702	36.4
161.13255	22.0
163.07518	5.5
163.14832	10.6
167.07103	1.2
169.10127	3.5
171.11703	17.7
173.13251	27.4
173.14691	1.7
174.13852	1.1
175.14832	15.0
177.05522	1.1
177.16408	6.1
183.11685	5.4
185.13245	10.9
187.14824	50.7
189.16370	18.4
191.17958	13.3
193.12288	3.5
195.11729	1.6
197.13246	6.0
199.14828	10.2
201.12767	1.5
201.16388	23.4
203.17976	20.9
205.19588	2.6
207.13823	6.1
211.14790	5.4
213.16356	10.6
215.14484	1.4
215.17867	8.7
217.19554	8.0
219.13820	7.1
219.21077	1.5
221.15398	2.3
225.16423	4.8
226.17192	7.4
227.17871	7.4
229.19531	6.4
231.13875	3.1
231.21146	2.9
233.15364	8.6
235.16910	1.3
237.16376	1.2
239.17921	7.6
241.19484	10.0
243.21024	5.9
245.15385	2.9
245.22797	3.2
247.16930	29.1
253.19507	4.6
255.21095	6.6
257.15436	2.7
257.22546	1.4
259.16986	4.2
261.18457	1.3
265.19693	1.3
266.20407	1.1
267.21106	3.0
269.22650	13.7
273.18582	2.2
279.21127	1.4
281.22650	1.5
285.18475	6.7
287.20093	3.2
295.24249	2.3
299.20084	4.4
301.21399	1.2
313.21552	2.4
321.25916	1.6
327.23138	1.8
335.27353	2.1
339.23108	1.5
349.28857	1.8
353.24869	1.1
377.31995	17.5
391.33664	12.1
395.29413	2.2
405.31699	1.4
437.22302	5.0
437.34210	100.0
438.34528	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45051	1.5
55.05518	7.6
55.30811	1.5
56.96569	1.5
57.07066	4.9
67.05508	13.9
69.07079	13.4
74.59059	1.2
78.91718	1.7
79.05495	9.9
81.07059	40.1
83.08614	5.7
90.38378	1.5
91.05482	13.3
93.07055	23.0
95.08613	51.8
97.10147	3.7
105.07038	38.6
107.08607	31.8
109.10165	24.2
117.07016	5.4
119.08590	29.3
120.26617	1.5
121.09319	2.6
121.10156	32.0
123.11710	15.2
128.06207	1.6
129.07019	3.9
130.07802	1.6
131.04884	2.4
131.08575	36.6
133.10141	36.6
135.11703	15.8
137.13263	8.4
142.07826	2.3
143.08557	11.1
144.09354	2.9
145.10129	34.6
147.11707	34.6
149.13268	16.3
155.08600	2.2
156.09280	2.4
157.10146	18.2
158.10928	4.0
159.11699	43.0
161.13264	25.2
163.07574	6.6
163.14835	6.0
169.10185	4.1
171.11691	21.0
173.13271	40.0
175.14828	14.8
177.16360	2.9
180.68742	1.5
183.11708	4.9
184.12479	2.2
185.13260	16.9
187.14818	61.6
187.16470	3.3
189.12617	2.0
189.16400	14.5
191.17961	13.6
193.12296	5.1
197.13242	9.1
199.14839	12.7
201.12753	2.4
201.16388	16.4
203.17978	17.9
207.13829	11.6
211.14864	9.0
213.16357	10.4
215.14487	2.0
215.17944	7.8
217.19533	5.8
219.13774	9.5
221.15427	3.1
225.16415	7.6
226.17172	10.3
227.17926	10.9
229.19505	8.6
231.13904	4.8
231.21144	4.0
233.15359	16.4
233.67290	1.5
239.17931	7.1
241.19550	6.8
243.21091	7.0
245.15450	2.7
245.22725	4.2
247.16920	33.4
253.19571	3.6
255.21037	7.3
257.15350	3.6
257.22653	2.7
259.16904	2.6
269.22659	26.2
285.18417	3.1
287.20212	1.6
299.20132	3.6
302.71420	1.5
321.25797	1.9
377.32031	26.8
398.93527	1.5
437.34210	100.0
438.34744	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05527	6.5
57.07076	3.1
67.05511	11.3
69.07079	9.9
69.42427	8.5
70.91152	1.2
72.12453	1.0
74.62983	1.0
79.05508	8.5
81.07066	33.9
83.08614	5.5
84.86525	1.1
91.05483	9.9
93.07055	22.7
95.08616	40.3
96.77193	1.4
96.94377	1.2
97.10187	3.7
98.20823	2.4
105.07042	27.4
107.07889	1.7
107.08605	33.3
109.10168	23.8
117.07023	4.8
119.08595	24.9
121.10163	25.7
122.10533	1.1
123.11694	11.6
128.06238	1.3
129.07030	2.7
131.04922	2.3
131.08578	24.7
133.10144	37.0
135.11700	13.3
137.13266	9.1
142.07767	1.8
143.08580	8.8
144.09378	2.6
145.10130	30.6
147.11699	37.1
149.13280	18.4
151.14828	1.4
155.08556	1.8
156.09343	1.5
157.10165	11.1
158.10910	3.7
159.11710	45.3
161.13272	25.1
163.07561	5.6
163.14793	5.5
169.10112	4.0
171.11697	19.3
173.13286	34.3
175.14818	12.8
177.16438	6.6
183.11703	4.4
185.13240	17.3
187.14848	57.5
189.12746	1.3
189.16402	13.4
191.17973	10.2
192.31001	1.2
193.12282	5.1
197.13303	7.7
199.14850	14.7
201.16400	17.0
203.17972	14.0
205.19563	1.7
207.13803	9.3
211.14795	8.7
212.15599	1.9
213.16408	9.6
215.14421	2.5
215.17999	8.4
217.12212	1.3
217.19560	6.1
219.13852	7.0
221.15291	2.5
225.16472	8.3
226.17178	12.2
227.18001	12.7
229.19525	7.8
231.13808	4.2
231.21107	3.9
233.15385	11.9
239.17963	6.3
241.19627	4.8
243.21114	9.0
245.15359	4.0
245.22688	3.3
247.16957	26.9
253.19510	2.2
255.21053	8.2
257.15393	5.2
257.22748	2.8
259.17065	5.0
267.21048	2.0
269.22675	29.5
281.22672	1.5
285.18439	3.3
287.19965	1.5
299.20139	2.6
313.21976	1.3
342.57672	1.3
349.29031	1.5
377.32068	25.5
395.29471	1.3
405.31488	2.6
437.34235	100.0
438.34833	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27362	1.2
51.68314	1.1
53.03922	1.6
55.05518	7.3
56.18140	1.0
57.07079	3.6
58.15895	1.3
67.05512	9.2
69.07069	11.8
69.52399	2.9
69.52800	6.4
74.26229	1.1
79.05487	9.6
81.07064	34.1
83.08625	6.6
91.05482	10.8
93.07049	23.7
95.08615	43.1
97.10187	4.1
98.21478	2.8
105.07030	34.9
107.08598	27.8
109.10160	21.1
112.81563	1.0
115.05449	1.3
117.07031	4.8
119.08591	29.3
121.10145	29.1
123.11711	14.2
129.06999	2.5
130.07846	1.3
131.08568	30.6
133.10139	35.7
133.11110	2.3
135.11699	14.1
137.13245	8.7
142.07802	1.6
143.08559	8.7
144.09383	1.7
145.10123	26.7
147.11703	35.8
149.13269	17.1
151.14850	2.6
155.08609	2.8
156.09300	1.8
157.10153	11.2
158.10953	3.6
159.08063	1.6
159.11696	45.6
161.13266	27.8
163.07582	5.8
163.14838	7.7
169.10188	3.7
171.11697	19.2
173.13274	38.0
173.14706	2.6
175.14819	11.1
177.16376	6.0
181.10016	1.6
183.11714	5.6
185.13298	12.8
187.14828	62.0
188.15305	1.2
189.16400	17.6
191.17950	15.3
193.12268	5.6
197.13226	9.0
198.14024	1.9
199.14850	12.3
201.12724	2.6
201.16408	17.9
203.17987	14.9
205.19528	1.5
207.13838	9.9
211.14841	5.2
213.16374	8.6
215.14503	1.7
215.17987	9.0
217.19514	10.7
219.13795	11.2
221.15482	3.6
225.16443	6.1
226.17139	7.2
227.17926	10.8
229.19565	6.7
231.13866	4.8
231.21149	4.9
233.15355	15.8
235.17049	1.2
239.18002	5.6
241.19543	5.7
243.21135	7.8
245.15456	2.3
245.22624	6.4
247.16940	29.2
253.19569	3.5
255.21126	6.5
257.15436	5.1
257.22705	3.6
259.16910	4.0
269.22644	21.5
271.17062	1.9
272.72223	1.2
285.18558	2.6
287.20181	1.4
299.20148	3.8
307.24133	1.8
377.32089	31.6
395.29236	1.8
405.31577	2.0
407.47858	1.3
437.22049	4.0
437.34232	100.0
438.34564	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	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89608	0.5
55.01869	1.1
55.05486	1.0
56.05035	1.1
59.04991	0.5
60.04527	0.6
61.13097	0.5
65.71804	0.5
69.03404	1.4
69.95652	2.2
70.06595	15.1
71.06906	1.1
72.08159	14.8
73.54681	0.5
79.05491	0.8
81.17383	0.5
84.04488	1.3
84.08145	5.7
85.02914	1.8
86.09707	5.0
91.05479	1.5
95.04944	0.6
97.02872	1.6
98.06038	1.1
98.09689	11.7
101.07087	0.6
102.05514	0.7
103.05460	2.0
105.07019	0.6
107.04955	42.9
107.08620	1.4
110.07172	1.8
110.09645	0.5
112.11217	1.0
113.07140	4.1
115.05458	2.3
115.12324	4.5
115.99494	0.6
116.07106	1.1
117.03400	0.8
117.91211	0.5
119.04963	1.6
120.05733	3.1
120.08110	2.1
121.02878	1.5
127.03970	0.7
129.10233	1.6
131.04913	6.3
135.07927	0.6
135.11716	3.4
136.07593	2.1
137.05974	1.5
141.10217	0.5
143.04906	3.7
144.05679	2.7
145.02841	1.5
147.04443	0.8
155.11795	16.0
155.13036	1.2
159.04411	16.9
161.05988	0.8
162.09145	0.9
164.07066	0.8
167.07028	1.4
171.04404	5.9
171.05693	0.7
172.14447	12.4
175.06076	1.0
177.05469	3.3
181.06477	0.8
181.10063	0.9
186.12451	1.0
187.03902	33.0
188.07161	0.5
189.07007	0.7
190.07677	0.7
191.08562	5.6
194.07333	1.4
195.08063	0.7
198.12402	2.0
205.06459	0.8
207.08046	1.3
209.09601	3.3
218.07283	1.7
219.08037	11.3
223.07561	2.2
226.08629	1.5
229.07632	2.0
234.78331	0.6
235.07504	1.3
237.09076	9.3
244.09712	1.4
247.07558	12.0
248.08374	0.7
256.09769	2.1
258.11206	1.5
263.07028	1.5
265.08612	23.2
270.07690	1.3
287.13809	1.2
291.06525	3.2
301.15466	16.0
315.17111	1.7
336.15726	0.6
348.06451	0.6
348.12222	2.4
436.22336	100.0
437.22842	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.6
56.96565	1.5
57.07068	3.4
61.10119	0.9
67.05512	12.0
69.07068	10.4
69.52937	6.0
76.58458	0.9
77.03925	1.6
79.05473	7.7
81.06593	1.9
81.07061	36.3
83.08605	5.4
86.09676	0.9
87.76405	1.1
91.05486	11.3
93.07045	25.1
93.73818	1.0
95.08609	45.7
97.10183	3.5
98.21465	1.9
103.05463	1.1
103.88838	1.1
105.07035	35.0
107.08595	33.8
109.10162	23.0
115.05464	1.0
117.07013	4.6
119.08590	29.5
121.10152	30.4
123.11712	15.1
129.07037	3.8
131.04930	2.7
131.07597	2.0
131.08574	33.4
133.09134	1.9
133.10139	39.1
135.11699	13.5
137.13245	11.5
142.07799	2.4
143.08563	7.9
144.09370	3.4
145.10124	34.8
147.11693	37.1
149.13248	16.5
151.14832	2.1
155.08551	1.7
156.09357	2.5
157.10136	15.6
158.10915	4.0
159.08116	1.2
159.11696	51.1
160.12361	1.5
161.13258	31.6
163.07536	5.5
163.14856	6.0
169.10158	3.4
170.10901	1.2
171.11693	23.4
173.13274	43.1
175.14841	14.4
177.16454	4.3
183.11739	6.4
185.13260	16.6
187.14822	72.5
189.12805	1.5
189.16396	14.6
191.17976	11.9
193.12245	5.6
197.13272	7.3
198.14211	1.1
199.14835	12.6
201.12703	2.5
201.16380	18.2
203.17979	13.7
205.19539	2.3
207.13785	10.0
209.13489	1.0
211.14764	7.4
212.15736	1.1
213.16420	9.4
215.14415	2.2
215.17998	7.6
217.19572	9.1
219.13814	10.8
219.21205	1.5
221.15402	3.7
225.16411	8.1
226.17252	9.8
227.17960	12.6
229.19516	7.9
231.13867	4.5
231.21089	4.6
233.15396	13.9
239.17891	5.8
241.19557	5.4
243.21130	7.7
245.15411	3.4
245.22682	4.3
247.16965	37.4
253.19557	3.0
255.21095	7.4
257.15475	2.8
257.22705	2.4
259.17123	2.4
267.21109	1.5
269.22659	26.2
269.25592	1.4
273.18478	1.1
279.21338	1.3
285.18600	3.9
287.20032	1.5
299.20105	4.3
334.94611	1.0
341.24710	1.8
345.61249	1.1
349.29126	1.3
377.32047	30.4
378.32404	1.5
381.27612	1.3
437.34186	100.0
438.34647	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65001	0.3
55.01868	1.2
55.05506	0.7
56.05027	0.6
58.06593	0.7
69.71383	1.0
69.71796	0.7
70.06595	0.7
72.08160	5.9
74.44480	0.3
84.08151	1.4
86.06075	0.3
86.64769	0.3
87.50658	0.3
91.05484	0.6
98.06051	1.2
98.20830	0.5
101.07159	2.1
107.04960	3.2
110.09671	0.5
112.11228	0.5
113.07138	3.8
115.05473	1.9
119.04925	0.8
120.05724	2.9
121.02918	1.4
131.04921	0.4
134.05916	0.3
143.04951	3.9
144.05730	2.7
145.06485	0.3
155.11803	12.9
161.06020	0.6
162.09155	2.3
170.06041	0.9
171.04404	6.2
172.14474	7.1
178.07727	0.4
179.08557	0.8
181.06541	1.0
181.10101	0.7
187.03964	0.4
189.06952	0.4
190.07823	1.1
191.08559	3.9
194.07317	1.2
195.07990	0.6
196.60094	0.3
198.05602	0.4
198.12398	1.6
201.07028	0.6
205.06418	0.5
207.08058	2.6
209.09647	1.9
218.07277	1.3
219.08072	10.9
221.05934	0.4
222.06522	0.3
223.07526	2.0
226.08640	8.3
226.10785	0.5
229.07761	1.8
234.09238	0.8
235.07556	5.7
237.09126	8.0
239.10777	0.3
244.09679	0.3
247.07559	11.6
250.06291	1.0
262.08725	0.9
263.07062	9.3
265.08612	24.1
272.07086	1.0
273.07919	0.4
290.08200	2.1
291.06485	7.2
322.14401	0.7
334.10632	0.3
336.15979	1.1
338.11948	0.3
347.13940	1.3
348.12289	10.4
362.14035	0.4
365.14948	0.6
418.21228	0.7
419.19693	0.9
436.22342	100.0
437.22806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
55.05511	2.0
56.05022	0.6
58.06593	0.7
63.19989	0.2
68.34996	0.2
69.15759	0.2
70.06591	1.6
70.20277	0.2
70.62087	0.7
71.16869	0.2
72.08160	4.2
84.08155	2.2
91.05449	0.5
92.50365	0.2
98.02106	0.2
98.06067	5.3
98.09686	0.3
101.07149	0.8
107.04954	2.5
110.09675	0.6
112.11246	0.9
113.07135	3.9
115.05441	1.8
115.08689	0.6
117.07025	0.4
119.04959	0.7
120.05724	2.5
121.02863	1.2
127.08684	1.5
141.10291	0.3
143.04941	2.8
144.05730	1.8
145.02939	0.3
145.06482	0.7
147.04393	0.4
153.10242	0.7
155.11797	12.4
159.04440	0.3
161.05977	0.4
162.09190	0.6
165.07002	0.3
166.07851	0.3
170.06078	0.5
171.04410	5.3
171.05708	0.4
172.14458	3.7
176.10692	0.6
178.07712	0.3
178.15042	0.3
179.08521	0.6
181.06485	0.9
181.10136	0.5
187.03967	0.7
189.07059	0.5
190.07855	0.7
191.08553	3.0
194.07274	1.4
195.08081	0.8
198.12398	4.2
198.68810	0.3
201.07033	0.5
205.06517	0.5
207.08072	1.6
209.09608	2.8
218.07234	1.1
219.08064	9.5
223.07541	2.1
226.08688	2.5
229.07674	1.2
234.09044	0.2
235.07555	4.6
237.09129	7.9
239.10728	1.3
244.09702	0.8
245.05832	0.3
247.07535	10.9
248.08118	0.4
250.06442	0.7
262.08621	0.7
263.07077	4.6
264.10165	0.8
265.08606	23.6
266.08868	0.4
272.07202	0.4
290.08078	1.4
291.06525	6.8
320.12863	0.7
322.14401	14.3
323.15268	0.2
336.15982	0.3
347.13803	0.4
348.12338	8.1
384.51147	0.3
402.96869	0.2
418.21255	0.8
419.19739	2.0
436.22345	100.0
437.22906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.4
55.01880	2.2
55.05515	2.9
56.05031	1.1
58.06599	0.7
63.17038	0.4
64.28670	0.4
64.45502	0.4
69.15480	4.8
70.06593	3.0
72.08154	8.2
79.37679	0.4
84.08135	3.3
85.43792	0.5
91.05479	1.4
98.06070	6.6
101.07129	2.8
107.04962	6.4
110.09705	1.1
112.11254	1.8
113.07125	10.7
115.05442	3.4
119.04941	0.9
120.05708	3.6
121.02879	1.7
127.08685	2.3
131.04897	0.7
134.06053	0.7
143.04935	4.6
144.05676	3.5
145.06508	1.3
153.10248	1.3
155.11801	21.0
159.04327	0.7
161.05943	1.1
162.09128	3.7
165.06923	0.5
170.06049	0.8
171.04410	9.0
171.05734	0.9
172.14461	9.0
179.08484	0.6
181.06519	1.5
181.10191	0.7
187.03998	0.5
189.06981	0.7
190.07718	0.8
191.08519	6.2
194.07298	1.6
195.08109	1.1
198.12379	16.1
201.07053	0.7
205.06537	0.9
207.08063	3.3
209.09607	3.9
218.07353	2.1
219.08040	12.8
220.08659	0.9
223.07603	2.1
226.08623	5.7
229.07706	2.8
234.08936	0.5
235.07565	5.5
236.08272	0.5
237.09103	10.9
237.11417	0.9
239.10675	2.2
244.09903	0.7
247.07530	13.2
250.06279	0.9
262.08661	1.2
263.07040	7.7
265.08594	31.9
266.08960	0.6
272.07126	1.0
290.08060	3.0
291.06479	10.2
320.12943	0.6
322.14386	10.8
322.17944	0.8
336.15997	1.7
347.04105	0.5
347.13998	0.5
348.12329	10.8
365.14990	2.0
418.21234	0.8
419.19608	1.5
436.22324	100.0
437.22375	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
51.40002	1.5
55.03220	1.6
55.05514	14.7
57.03437	8.7
57.07063	4.8
64.01812	1.7
67.05512	35.4
69.06795	1.5
69.07079	18.2
69.40330	10.7
71.08616	2.5
79.05496	9.8
81.06591	3.2
81.07056	42.8
82.94652	1.5
83.08624	9.7
85.06558	1.7
87.93923	1.7
91.05477	6.8
91.25443	1.3
93.07048	12.8
95.08614	35.5
97.06526	2.3
97.10157	4.6
98.20776	3.4
98.98475	52.0
105.07044	4.4
107.08614	9.9
109.06515	3.3
109.10166	16.8
111.08139	1.6
119.08566	5.7
119.39243	1.6
121.10162	6.4
123.11718	7.2
124.25597	1.5
133.10124	4.5
135.11685	5.5
137.09567	1.6
137.13301	2.5
147.11649	2.8
149.13174	1.9
151.14790	2.6
155.01060	26.7
161.13245	3.0
165.16321	2.6
173.02130	10.4
175.14772	3.0
189.16206	2.2
195.07671	2.0
245.22713	8.8
263.23709	21.9
337.27374	100.0
434.36212	1.6
459.17084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2506
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.05516	18.3
57.03427	11.6
57.07078	7.3
67.05507	62.1
69.07069	25.2
70.66585	2.5
71.08614	2.8
71.21716	4.4
79.05492	24.6
81.06596	4.1
81.07062	73.9
83.04977	2.6
83.08634	15.6
91.05463	11.1
93.07040	15.9
95.08615	64.6
97.06517	5.1
97.10152	5.8
98.98472	100.0
99.08060	4.6
105.07034	11.8
107.08601	14.9
109.06519	7.3
109.10165	33.9
111.11724	2.8
113.09658	4.5
119.08569	8.5
121.10126	15.1
123.11771	14.3
131.08560	2.7
133.03470	3.4
133.10133	11.2
134.33594	3.1
135.11685	8.5
137.09587	3.5
137.13191	6.2
145.10120	3.5
147.11693	7.1
149.13261	6.8
151.14836	7.3
155.01045	84.5
161.13318	7.7
163.14781	6.4
173.02119	10.7
175.04495	17.7
175.14816	6.5
185.27609	2.5
245.22633	28.3
263.23676	66.5
264.23795	2.8
301.20105	9.9
337.27408	79.6
342.85645	2.8
404.83127	3.3
423.00305	3.0
435.24918	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	435.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	18.7
57.03445	12.9
57.07073	5.6
67.05508	53.8
69.07079	23.1
71.08637	2.1
79.05495	15.7
81.06604	3.3
81.07058	59.8
83.08617	14.5
91.05478	16.1
93.07053	17.2
95.08614	59.2
97.06507	4.4
97.10159	8.2
98.98470	82.7
101.00880	6.2
103.02471	3.3
105.07043	11.3
107.08599	11.8
109.06482	8.6
109.10167	28.5
111.08052	3.3
115.02426	3.2
116.07122	2.9
119.01939	17.9
119.08587	8.9
121.10162	13.6
123.08052	3.6
123.11696	8.3
131.01935	5.3
131.08589	3.4
133.03490	17.9
133.10124	7.6
135.11702	7.7
137.05988	6.9
137.13263	5.4
142.03580	2.6
145.03467	11.5
147.11710	7.6
149.13225	7.7
151.04608	2.8
151.14822	4.9
155.01045	69.7
157.03519	2.6
159.11577	2.3
161.13232	6.5
163.04552	3.4
163.14786	5.6
165.16438	4.0
173.02119	9.3
175.04533	100.0
175.14813	6.2
189.16405	3.3
216.07216	2.9
245.22614	20.9
263.23730	52.3
301.20117	81.2
319.21176	8.3
337.23312	3.4
337.27368	64.8
342.22751	10.1
375.23843	9.8
406.91110	2.8
417.24399	4.4
435.25870	23.3
435.31708	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
51.29900	0.5
53.03942	0.9
55.01855	1.0
65.03941	7.1
67.05486	2.3
69.03429	3.9
69.61953	2.7
78.04700	1.1
79.05505	6.3
81.03424	3.8
81.07040	1.0
82.04197	1.9
85.02901	4.2
91.05479	2.6
93.03395	2.3
94.04177	0.6
95.04948	2.6
97.02900	0.8
97.06532	1.8
103.05496	1.0
105.07011	1.4
106.04166	0.6
107.04963	14.6
108.02124	1.5
109.06471	0.8
110.03668	3.4
110.04316	0.6
111.04417	0.7
115.05482	3.9
116.06268	0.7
117.07019	4.6
119.04930	0.6
121.06495	1.0
123.04432	3.1
124.05225	3.1
125.05994	2.5
127.03919	3.9
128.06232	1.3
129.07002	2.2
131.04922	1.5
131.08542	1.6
133.06490	2.0
137.05971	1.2
138.03139	2.0
141.07002	1.6
142.02618	3.5
143.04924	1.0
144.04739	0.6
144.05721	3.9
145.06483	6.4
147.04408	0.7
147.08044	0.8
149.06085	0.6
152.04681	2.6
153.05476	4.7
155.04955	1.2
155.06042	1.4
155.07106	1.0
156.05698	1.1
157.06477	2.8
159.04366	0.8
159.08047	3.7
160.08862	0.8
161.06017	4.0
166.02618	0.6
167.07051	47.1
171.06601	2.9
172.05231	5.4
173.05986	5.3
175.07530	1.9
177.05470	1.3
177.09074	0.9
181.04964	100.0
186.67317	0.5
187.07545	8.7
189.05464	2.3
189.09108	0.6
190.06219	1.6
191.06993	1.4
191.10645	2.3
193.04933	1.3
195.06584	2.6
200.04736	2.8
201.05476	7.0
203.07013	0.6
204.07805	0.8
205.06686	1.0
205.08534	4.0
206.05724	2.8
217.08603	1.9
218.05714	5.8
219.06499	1.5
219.10103	6.6
221.08025	5.2
231.06554	1.0
233.08093	48.0
235.07581	1.0
235.09691	2.8
245.08060	2.3
247.07561	0.6
251.09186	6.2
263.06647	1.0
263.09195	12.3
277.08475	0.7
279.10117	0.9
281.07922	0.7
281.10553	0.7
291.06586	0.8
295.09720	1.2
307.09818	0.8
313.10675	0.6
321.07584	0.7
323.09201	1.4
327.12506	0.7
331.08099	0.8
339.12396	1.3
344.12537	1.0
346.10678	0.6
351.08618	0.6
355.11743	3.1
357.13284	0.7
367.11624	3.3
371.15067	1.4
372.12073	1.4
381.13391	2.5
384.12149	1.0
387.14386	10.9
399.14365	6.3
405.15445	0.7
417.15460	29.3
435.16629	0.9
436.22360	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01865	1.4
55.05496	1.3
65.03940	6.8
67.05510	3.4
69.03438	3.4
69.07057	0.9
69.99167	1.2
69.99576	0.9
70.06592	2.3
72.08153	2.3
73.67356	0.4
78.04710	1.1
79.05496	7.4
81.03422	3.8
81.07071	0.9
82.04202	2.9
83.04978	0.5
84.08142	1.4
85.02909	4.6
86.09689	2.2
86.18858	0.4
91.05482	3.4
93.03385	2.0
93.07042	0.9
95.04957	3.3
95.08562	0.5
95.38779	0.4
97.02881	1.1
97.06535	2.5
100.11250	0.4
103.05465	1.6
104.14952	0.4
104.82827	0.4
105.03365	0.5
105.04494	0.6
105.07022	1.3
106.04156	1.2
107.04958	17.8
108.02106	1.4
109.06496	1.1
109.10132	0.4
110.03676	2.6
111.04436	1.8
114.43928	0.5
115.05455	3.7
116.06240	0.6
117.07024	4.3
119.04935	0.8
119.08571	0.8
120.08112	1.7
121.02903	0.5
121.06497	1.6
121.35583	0.5
123.04432	2.8
123.08080	0.5
124.05222	3.7
125.05983	2.9
127.03928	4.4
127.05383	0.6
128.06209	1.4
129.07005	2.4
129.10204	0.5
131.04927	1.7
131.08577	1.8
133.06496	2.2
134.03673	0.6
135.04437	0.6
137.05951	1.9
138.03113	2.0
140.04713	0.5
141.06993	1.7
142.02579	3.0
143.04910	0.8
144.05707	4.1
145.02908	0.6
145.06483	8.8
145.10074	0.5
147.04405	1.8
147.08023	0.9
149.05986	2.0
152.04675	1.9
153.05464	3.2
155.04901	1.1
155.06024	1.4
155.07066	1.0
155.11839	0.5
156.05745	0.7
157.06538	2.3
157.07648	0.4
157.10057	0.6
159.04411	1.0
159.08051	3.7
160.08855	0.6
161.05969	4.2
162.09207	0.5
163.07509	0.6
165.05469	0.5
166.02641	0.7
167.07040	46.2
169.07605	0.6
171.04306	0.8
171.06563	3.4
172.05215	7.4
173.05972	5.1
175.07556	1.4
176.04732	0.6
176.08267	0.6
177.05457	1.7
177.09064	0.7
178.06212	0.6
179.07121	0.8
181.04955	100.0
182.05313	0.9
183.04399	0.8
183.06616	1.0
185.06042	0.7
187.07555	8.3
189.05481	3.4
190.06288	1.1
191.06995	2.4
191.10686	2.0
193.04958	0.6
193.08502	0.8
195.06453	2.0
200.04771	3.5
201.05481	6.5
202.06343	0.6
203.07050	1.2
204.07759	0.5
205.08531	3.9
206.05682	3.3
207.06435	1.0
207.08208	0.6
207.10121	0.8
209.08080	1.4
217.08498	2.3
218.05693	5.3
218.09219	0.6
219.06477	1.5
219.08258	0.8
219.10069	4.2
221.08069	6.8
221.10124	0.5
231.06534	0.9
233.08084	45.8
234.06474	0.7
234.08694	0.6
235.07558	1.1
235.09663	3.2
237.09128	0.9
245.08167	2.1
247.07658	1.2
251.06961	0.6
251.09123	4.8
263.06970	1.1
263.09189	13.1
264.07788	0.8
265.08551	1.6
273.12659	0.9
275.06949	0.5
279.06503	0.7
279.09970	0.9
280.07343	0.7
281.07748	0.6
281.10422	0.6
291.06421	0.5
292.07120	0.6
293.08026	1.2
295.09680	0.8
305.08118	0.6
307.09564	1.5
308.06552	0.6
309.07681	0.6
319.11795	0.6
323.09097	1.3
324.10086	0.5
325.10568	0.5
331.08075	0.7
335.09268	0.6
337.10883	0.9
339.12213	1.4
344.12454	0.9
352.09482	0.6
353.10083	0.6
355.11737	2.5
357.13428	0.6
367.11636	2.8
371.14902	1.6
372.12201	1.4
381.13214	2.0
384.11765	1.1
387.14417	10.2
399.14395	7.5
405.15250	0.7
417.15436	26.7
417.28494	0.8
425.80573	0.5
435.16281	0.9
435.28564	0.8
436.22324	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	435.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01856	1.2
61.68807	1.0
65.03935	6.3
67.05505	4.0
69.03426	3.1
69.07053	1.1
69.61916	3.5
70.06576	2.6
72.08150	3.0
78.04713	1.4
79.05496	10.6
81.03414	4.1
81.07040	1.4
82.04191	1.8
84.08144	1.4
85.02924	4.7
86.09704	2.8
88.15560	1.0
91.05483	7.0
93.03394	2.0
93.07063	2.6
95.04967	4.0
95.08617	1.6
97.02883	2.2
97.06519	3.2
98.97594	1.1
103.05473	2.9
105.07008	2.8
106.04159	1.7
107.04959	27.9
107.08558	1.5
108.02096	1.0
109.10133	0.9
110.03651	3.1
111.04507	1.1
115.05467	4.9
117.07007	5.6
119.04967	1.3
119.08545	1.3
120.08090	1.9
121.06501	3.0
123.04406	3.5
124.05216	5.0
125.05983	3.7
127.03949	2.0
128.06166	1.7
129.06998	3.6
129.10300	1.1
129.35995	1.0
131.04881	2.0
131.08560	3.3
133.06551	5.5
135.04352	1.3
137.05978	3.2
138.03120	1.7
139.07515	1.1
141.06982	1.7
142.02623	2.6
144.05696	4.2
145.06482	10.8
147.04384	2.0
147.08051	2.0
149.06030	1.9
151.03867	1.2
152.04666	2.6
153.05460	2.6
155.06055	2.7
157.06493	5.2
159.04362	1.4
159.08047	4.0
159.11696	1.2
160.05177	1.6
161.05983	8.5
167.07047	82.3
171.04396	2.0
171.06599	3.6
172.05235	7.2
173.05966	6.9
175.07573	3.6
177.05482	2.6
179.07014	1.1
181.04964	100.0
182.05363	1.5
183.06516	0.9
184.05289	1.1
185.05934	1.4
186.03081	1.5
187.07516	9.8
189.05418	5.3
190.06204	2.8
191.06993	2.7
191.10709	2.9
192.19571	1.1
193.08571	1.0
195.06549	3.2
200.04666	2.5
201.05493	8.9
202.06262	1.5
203.07018	2.6
205.08583	7.4
206.05779	2.5
209.08052	2.0
217.08589	2.8
218.05713	8.0
219.06502	2.4
219.10094	4.5
221.08057	11.1
231.06593	2.2
233.08080	62.6
235.07605	2.1
235.09651	8.7
237.08992	1.3
245.08115	3.8
247.07585	2.5
251.09120	10.8
263.09247	13.4
264.07761	1.5
265.08618	3.3
280.07336	1.4
281.10327	1.2
291.06708	1.1
293.07889	1.2
295.09747	1.0
307.09488	2.4
309.07202	1.4
323.09167	1.0
331.07916	2.7
335.09052	1.5
337.10669	1.3
339.12274	1.6
346.10275	1.3
355.11710	3.7
356.12372	0.9
358.10843	1.3
367.11832	4.2
368.12741	1.0
369.09427	1.4
371.14713	1.8
373.12836	1.3
381.13205	2.2
384.11957	1.7
387.14322	11.0
399.14429	7.9
405.14850	1.9
417.15451	59.3
435.16306	1.0
435.28513	1.1
436.22415	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	434.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10637	3.6
53.03946	9.4
55.01865	11.8
55.05518	5.2
56.05034	6.1
57.03450	9.6
61.02940	5.7
68.68944	3.8
69.03443	34.2
69.07061	4.2
70.06596	56.1
71.04996	6.4
71.51533	4.1
71.51947	5.2
72.08163	32.6
73.02905	7.4
74.06084	4.3
79.05516	6.5
81.03416	26.5
81.07078	4.1
84.04509	11.0
84.08149	27.7
85.02908	100.0
85.35990	3.9
86.09714	37.5
87.00848	25.5
87.10036	6.6
91.05492	17.7
96.04415	4.4
97.02890	27.9
98.06097	7.1
98.97584	4.5
99.04469	16.2
102.05509	8.0
105.01879	30.5
105.07063	6.0
107.04982	8.3
109.02890	31.2
110.07184	12.1
113.07098	10.7
116.07089	5.0
119.04966	11.6
120.08138	10.6
121.06546	5.1
123.04452	3.9
127.03925	60.3
129.01891	6.8
129.10277	9.5
132.10121	4.8
133.06514	5.1
136.07623	6.1
137.06018	13.3
145.04994	32.1
145.10132	6.5
147.02911	5.7
147.04376	5.1
151.07556	64.0
157.06451	6.4
159.02901	13.5
160.05122	4.4
161.06026	8.6
163.03944	8.7
165.05511	4.4
165.09186	17.5
167.07014	11.5
173.13033	3.9
175.07613	10.6
177.05521	10.4
179.07114	5.5
181.04959	12.8
181.06407	4.2
182.05316	9.8
189.09218	8.0
193.08615	38.1
199.07584	4.0
209.11719	9.4
217.08640	8.5
221.08022	4.2
222.08652	6.0
227.12842	26.9
231.05028	13.7
231.10158	7.7
232.11942	6.5
235.09660	15.7
259.09781	28.1
272.08920	5.5
277.10730	48.2
288.12216	4.3
363.10727	9.8
381.11859	11.1
404.14258	8.4
434.13577	6.2
434.18149	16.7
434.24426	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01858	1.5
55.05476	0.8
57.03437	17.5
59.05009	3.4
60.04521	2.5
61.02917	2.9
65.03935	2.0
66.31593	0.6
67.05481	0.7
69.03433	65.0
69.96307	2.9
70.06597	4.5
71.01334	0.8
71.04986	1.2
72.08166	4.4
72.08486	0.8
73.02915	2.6
75.04461	1.5
77.03967	0.7
78.19579	0.6
79.05479	1.7
81.03413	4.1
83.04971	0.8
84.04481	0.8
84.08143	2.2
85.02909	73.4
86.09705	2.3
87.04472	49.0
91.03954	2.6
91.05478	1.8
95.04955	2.0
97.02897	56.4
98.20887	1.1
99.04456	2.9
103.03965	0.8
103.05450	0.8
105.07043	7.1
105.11575	0.7
107.04973	3.6
108.05301	0.7
109.02913	3.8
110.03620	0.9
111.04476	0.8
112.70203	0.8
115.03937	86.4
116.07098	1.2
117.06956	0.8
119.04929	1.0
120.08103	2.8
123.04443	2.2
127.03928	14.7
133.04973	100.0
137.05925	1.0
139.03845	0.8
145.04974	31.6
147.08076	3.3
150.07632	15.1
161.04495	1.1
161.05975	1.4
162.06358	0.9
163.03951	0.8
163.06017	15.2
164.06987	0.8
167.07025	7.0
168.07431	2.0
169.04974	2.0
171.08018	1.1
174.40094	0.7
175.06064	0.8
177.05450	1.3
180.08739	0.9
181.04958	18.5
182.05324	6.7
189.09151	2.6
193.08627	1.2
194.08913	1.1
201.09119	2.8
205.07004	1.4
207.06468	2.6
211.06122	0.8
219.10115	1.6
220.11633	0.9
221.08168	2.9
222.08540	2.7
223.05992	1.3
229.07166	0.8
231.10033	0.8
233.08054	2.9
241.07123	3.0
249.07605	1.5
249.11282	0.7
250.08032	2.3
255.12383	1.3
259.08151	5.7
263.09204	1.0
273.99875	0.7
277.09198	3.1
285.13348	4.4
295.10211	4.2
302.15988	0.8
399.14105	0.9
404.14197	15.1
417.15646	1.3
434.17291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74160	1.3
53.03927	1.6
55.01857	3.0
56.05042	10.6
57.03439	10.9
60.04532	2.0
60.05618	1.9
61.01147	3.6
61.02906	3.0
69.03416	7.3
69.07081	3.2
70.06215	2.1
70.06596	41.0
71.00578	1.5
71.04985	1.9
71.06915	3.6
71.52050	2.1
71.52404	2.2
72.08155	13.5
73.02880	1.7
74.06047	4.1
75.04468	5.7
76.48622	1.4
79.05491	2.1
81.03440	6.9
83.06104	2.0
84.04485	6.6
84.08141	17.0
85.02906	21.8
86.09238	1.8
86.09715	26.8
87.00815	5.6
87.05557	1.8
87.10047	2.2
87.79640	1.5
88.03963	2.7
91.05489	9.3
93.07030	2.6
95.06055	2.0
97.02902	7.8
99.04432	3.9
102.05544	3.3
103.05469	33.1
104.05341	11.0
105.01864	4.4
105.03389	1.8
105.07025	2.1
107.04902	3.8
109.02850	5.7
110.03670	3.3
110.07187	7.7
112.08722	1.7
112.11282	1.5
115.08685	2.9
116.07073	4.4
119.04926	9.7
120.05743	1.6
120.08118	10.8
121.06504	8.5
123.04431	16.4
124.05201	3.1
124.07571	2.0
126.09107	1.8
127.03929	7.1
127.08638	3.3
129.10257	9.4
131.04935	100.0
131.08536	1.8
133.06190	2.1
135.05421	1.5
135.08118	1.5
137.05048	2.0
137.05995	22.5
138.06772	13.8
143.11803	2.9
145.02821	2.5
145.04944	6.1
146.05916	2.2
147.04398	3.8
148.05171	10.5
149.05977	2.4
151.07552	19.5
155.08200	3.1
159.09290	1.5
161.05989	4.1
163.03958	7.0
163.07544	63.4
165.09137	3.1
166.06242	19.1
167.06921	1.8
171.11310	2.0
173.09253	2.2
175.07504	3.7
175.11790	1.8
177.05484	3.3
179.07019	6.0
181.04973	5.6
181.08597	27.9
182.05376	1.8
185.02142	2.1
185.09183	1.7
193.08632	5.5
201.09177	1.5
208.57358	1.4
209.11710	1.9
215.13959	1.8
216.53120	2.0
219.10126	2.1
222.08507	1.9
235.09654	2.0
237.11217	13.7
254.13803	2.1
255.12300	55.7
259.09601	2.5
264.10107	3.1
272.08932	29.3
272.17047	4.9
277.10706	3.4
345.45306	1.6
370.91110	1.7
404.14444	2.8
434.14169	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.01872	9.5
57.03431	5.4
57.54702	1.3
61.02915	4.5
64.15131	1.3
68.99773	3.7
69.02216	1.5
69.03092	1.8
69.03439	33.7
69.57248	9.1
70.06596	16.1
71.04984	4.2
72.08153	5.4
73.02915	7.4
74.06021	1.3
79.16415	1.3
81.03425	28.9
84.04509	3.8
84.08173	7.5
85.02911	100.0
86.09722	7.5
87.00837	37.3
87.04438	1.7
87.10031	1.5
91.03957	2.1
91.05489	17.3
93.07059	1.4
95.04958	2.3
97.02898	29.1
98.97588	2.2
99.04460	14.5
103.05455	1.6
105.01874	34.3
105.07034	5.7
107.67479	1.3
108.04468	4.6
109.02889	24.3
111.04450	1.9
115.03953	1.4
116.07092	2.6
117.01882	3.5
117.03345	1.5
119.04943	16.0
120.08127	3.0
121.06467	2.0
126.05518	2.8
127.03925	53.6
128.06192	1.5
129.01836	4.1
129.07045	3.8
129.10217	2.1
131.08549	3.0
133.06506	4.2
135.08072	1.6
136.05209	2.7
137.05966	6.7
145.02840	2.7
145.04973	22.2
147.02875	4.4
147.04416	2.2
149.05966	2.2
150.06783	1.9
151.07550	63.6
151.46878	1.4
153.06984	1.8
157.06528	3.7
159.02933	14.3
161.06001	6.0
163.07556	2.8
165.09116	17.2
167.07037	2.9
169.08575	2.7
171.08025	2.4
175.07559	7.2
177.04129	2.2
177.05417	8.8
178.05954	1.9
179.07069	4.7
181.06425	1.8
185.05914	1.8
189.03955	4.2
189.09113	7.7
191.06987	2.0
191.10747	1.9
193.06856	2.5
193.08623	40.3
199.07550	4.1
203.06946	1.5
203.10805	1.9
205.08627	2.5
209.11780	4.6
213.03790	1.9
213.09111	3.0
213.51184	1.5
217.08624	8.8
227.06857	2.6
231.05052	13.9
231.10139	5.3
235.09677	17.1
241.08580	2.2
248.07626	2.6
249.06046	2.3
259.09668	28.6
277.10724	47.0
356.12997	1.5
363.10590	5.7
381.11783	8.7
404.14148	2.1
434.16321	2.2
435.18512	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	434.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01800	1.6
53.03941	6.3
55.01874	11.1
55.05507	4.5
56.05032	4.4
56.96569	1.8
57.03437	9.2
57.03668	2.0
60.04522	3.1
61.02924	6.3
65.61334	1.5
67.05516	3.0
68.05030	2.1
68.99783	2.6
69.03431	47.2
69.07069	3.3
70.06596	46.7
71.04993	6.6
71.51562	3.1
72.08147	19.3
73.02918	8.0
73.08538	1.7
74.06052	3.2
79.05501	2.4
81.03419	25.8
81.07047	2.5
83.06133	2.1
84.04498	9.4
84.08139	14.7
85.02908	100.0
85.06581	2.9
86.03246	1.7
86.06091	2.2
86.09707	30.1
87.00834	37.6
87.04458	11.3
87.05581	2.7
87.10033	5.1
89.06045	3.1
91.03931	2.1
91.05481	22.5
93.07050	3.7
95.04967	4.7
97.02892	40.6
97.06512	2.2
98.97627	2.7
99.04467	17.2
102.05566	3.2
103.03949	2.3
103.05466	2.8
105.01192	3.5
105.01873	44.2
105.07056	4.8
107.04929	3.6
107.08566	2.2
108.04472	3.5
108.05193	1.7
109.02880	30.8
110.07167	7.3
112.08742	2.6
113.07155	4.3
115.03931	12.7
116.07107	7.2
117.01881	3.6
119.04952	15.0
120.08100	12.1
121.06508	3.1
123.04463	3.6
124.24040	1.8
125.09637	7.0
126.05599	2.0
127.03922	66.2
127.81792	1.7
129.01857	3.2
129.07005	3.9
129.10245	9.7
130.06569	2.1
131.04918	3.3
132.10156	2.1
133.04971	12.2
133.06438	2.5
136.05214	2.2
136.07585	3.0
137.05977	12.0
141.10271	4.2
142.10577	2.0
145.02879	2.3
145.04965	30.9
147.02840	3.0
147.04437	4.0
149.09592	8.6
150.06818	2.3
151.03835	1.9
151.07544	75.3
153.09151	2.1
157.06479	4.1
159.02884	17.0
159.09216	3.4
161.06020	4.3
163.03941	5.1
164.06987	3.9
165.09123	18.6
167.07057	4.9
169.08604	4.1
173.13026	3.6
175.07581	7.8
175.11934	1.8
177.05507	5.4
179.07080	3.2
181.05011	7.0
182.05284	4.9
189.03938	4.1
189.09094	4.0
191.14340	4.3
193.08603	38.5
199.07544	5.9
209.15355	20.1
211.09697	3.2
213.03947	3.0
217.08569	6.5
227.12889	2.4
227.16452	6.2
231.05043	14.7
231.10101	2.7
235.09653	17.5
241.08766	2.0
249.06079	3.9
257.07251	1.7
259.09653	14.5
272.09375	2.5
272.22156	3.5
277.10706	35.2
301.17395	2.5
306.11383	2.1
346.62094	2.1
363.10828	4.3
369.17337	1.7
381.11740	6.9
404.13992	5.9
434.07947	1.9
434.14267	7.4
434.27588	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56633	1.3
56.96569	69.3
67.05492	2.2
69.30251	9.1
69.30660	3.1
71.95275	1.8
74.97606	8.4
81.07041	2.2
84.96045	20.8
86.09701	2.0
86.97598	6.4
93.07014	1.6
95.08613	1.5
98.20705	2.9
98.97591	100.0
102.97081	1.8
105.38647	1.4
107.08556	1.5
107.31337	1.1
110.29764	1.3
110.97566	15.7
112.99158	5.0
114.97057	7.3
116.98631	35.3
124.99147	2.5
126.97031	7.0
127.00713	3.1
128.98613	17.8
131.00194	4.4
132.98091	15.5
134.99695	9.4
135.11731	1.6
138.97098	1.8
140.00197	6.9
140.98622	5.4
142.96573	2.0
143.00162	4.9
144.98087	11.6
145.01794	2.1
146.99652	6.4
148.97572	2.3
149.01241	2.3
150.99149	21.8
152.98589	12.2
155.00201	2.7
156.98090	4.9
157.10136	1.8
158.01350	2.0
158.99651	12.2
160.97578	8.4
161.01189	3.3
162.99161	8.9
168.98149	3.8
169.00214	5.5
170.99680	21.0
172.97630	5.8
173.01227	2.6
174.00771	3.1
174.99167	10.4
175.11902	1.4
177.00737	9.3
178.98688	6.1
184.07353	3.2
185.01256	2.2
186.00751	1.6
186.99141	16.6
189.00752	13.5
190.98628	22.2
192.01671	1.7
193.00267	7.1
194.01288	2.4
198.99219	1.8
200.97060	2.6
201.00748	6.1
202.98618	2.5
205.00258	15.1
206.98341	1.9
207.01830	2.6
208.99742	8.1
210.99188	2.0
212.02327	2.7
214.00359	3.5
214.98718	7.6
217.00224	5.5
218.98167	9.0
219.01808	1.7
220.99716	2.6
223.01277	1.7
224.99010	1.8
226.98732	1.8
229.00191	8.4
232.99693	18.3
234.97725	2.8
236.99258	5.4
244.99776	5.6
247.01302	5.1
248.99260	2.4
251.00851	6.4
258.97699	3.6
260.99301	3.1
263.00769	6.0
265.02466	1.7
272.99097	2.2
276.98734	10.0
288.98764	1.7
291.00275	7.3
294.99826	1.7
303.00159	2.7
309.01215	3.9
321.01282	3.5
334.99213	1.5
351.41107	1.5
374.98621	9.1
388.01987	1.5
392.99777	51.2
411.00864	65.7
416.01358	4.7
434.02420	19.5
434.38412	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.05515	31.5
57.03428	2.5
57.07069	3.1
59.04714	3.1
59.05003	60.6
64.22273	2.3
65.03936	2.9
67.05512	15.8
69.03423	5.2
69.07069	8.1
69.56076	2.2
71.04987	3.2
75.04494	2.7
79.05498	14.2
81.07059	24.6
85.06549	100.0
89.87064	2.3
91.05485	39.7
93.07045	34.4
95.04971	6.8
95.08618	23.7
97.06554	4.0
97.10104	2.7
98.21424	10.4
99.08079	4.8
103.05482	2.2
105.07035	37.9
107.08602	21.3
109.06514	7.4
109.10172	20.2
111.08105	14.9
113.00031	40.5
113.09629	2.6
115.05463	4.7
117.07033	12.5
119.08588	66.1
121.06551	3.0
121.10127	22.7
123.08048	8.4
123.11736	2.7
125.09644	25.7
128.06181	6.0
129.07016	11.7
130.07759	4.0
131.08574	23.0
133.10158	23.6
135.08040	6.2
135.11703	12.4
137.09631	23.4
139.11227	2.3
141.07016	2.7
142.07770	11.8
143.08574	24.8
144.09406	3.5
145.09073	3.0
145.10133	33.0
147.08083	4.9
147.11731	10.6
149.09627	8.5
151.11172	40.2
154.07816	2.6
155.08559	11.2
156.09315	11.8
157.10129	27.8
159.11685	13.3
161.09578	4.8
161.13176	2.8
163.11174	9.0
167.08559	5.9
168.09355	4.6
169.02615	45.6
169.10155	12.6
170.10909	2.8
171.07886	2.2
171.11705	23.4
172.12411	2.9
173.09631	2.8
173.13269	6.7
175.11177	6.5
175.14777	4.4
177.12692	2.5
179.08508	7.8
181.10127	6.3
182.11073	3.1
183.11700	13.5
184.12503	2.9
185.13274	7.7
187.11147	3.7
187.14790	4.5
189.12753	6.6
193.06311	2.0
193.10173	7.2
194.10928	7.7
195.11768	13.2
195.13414	2.7
196.12326	2.3
197.13257	6.7
199.14873	2.3
201.12724	2.3
201.16228	2.5
203.14281	9.1
207.11696	6.3
209.13229	12.5
211.11166	3.1
211.14815	5.4
213.12703	3.3
215.14325	3.8
219.11804	2.4
221.13252	8.0
223.14816	8.3
225.16428	2.7
230.24785	4.7
233.13315	3.2
235.14809	6.5
235.16953	2.6
237.16362	3.0
249.16524	3.3
251.17921	2.5
259.14777	2.7
261.16455	3.8
263.17874	3.0
265.19354	4.5
291.09854	2.4
295.20599	2.3
305.19177	2.2
309.21985	3.2
337.21259	2.1
341.24808	2.7
401.28131	2.6
433.31332	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2354
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05506	14.4
56.96560	12.9
57.03426	9.2
57.07065	3.9
63.21804	3.3
67.05176	5.9
67.05507	59.1
69.07066	14.3
71.52491	4.7
71.52868	3.5
79.05513	33.1
81.07063	62.7
83.08620	6.2
85.02901	3.5
85.06527	3.8
91.05488	21.4
93.07041	52.3
95.08620	40.9
97.06525	5.5
97.13266	3.2
98.97604	10.9
98.98466	65.3
105.07038	17.3
107.08591	34.9
109.10173	18.4
116.98605	7.6
117.07071	3.2
119.08589	16.0
121.10140	23.9
123.11698	8.4
131.08571	12.1
133.10155	9.6
135.11702	15.5
137.13293	3.7
144.98111	3.3
145.10156	7.2
147.11646	8.2
149.13245	12.6
151.11290	3.8
155.01031	9.2
159.11725	11.2
161.13272	8.3
163.14830	11.9
173.02113	8.9
173.13290	10.5
175.14783	3.1
177.16444	7.9
243.21127	25.7
261.22153	47.0
273.61047	3.9
299.23755	4.1
317.24728	5.1
325.25711	3.8
335.21268	5.9
335.25803	100.0
373.16602	7.0
433.31113	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.62014	1.4
53.03952	2.7
55.01892	1.4
55.05514	7.3
57.03440	13.4
57.07083	2.9
57.49000	1.4
59.06204	1.3
65.03947	1.8
67.05510	49.7
69.07070	10.9
69.74406	6.7
73.87212	1.4
79.05499	30.5
81.03477	1.4
81.07064	57.7
83.08632	4.9
85.10201	1.8
91.05485	14.2
92.52722	1.8
93.07052	39.7
95.04989	2.3
95.08616	42.5
97.06515	2.5
98.98477	75.8
105.07028	13.8
107.08604	24.6
109.06511	1.7
109.10159	23.4
111.08023	1.6
112.95368	1.5
116.88112	1.2
117.07038	5.0
119.08595	12.1
119.53974	1.5
121.10152	20.9
123.08134	1.7
123.11697	8.5
131.08568	8.3
133.10175	9.5
135.11707	16.1
137.13284	2.5
140.62529	1.3
145.10158	6.8
145.12538	1.4
147.11659	8.3
149.13246	12.4
155.01065	11.7
159.11725	6.6
161.13293	5.6
163.14862	6.6
173.02095	12.2
173.13295	6.9
175.14787	2.8
177.16409	3.3
187.14839	4.1
233.22542	2.7
243.21136	16.5
249.31470	1.5
261.19412	2.9
261.22183	48.2
279.23193	2.6
286.00549	1.4
317.24805	7.4
335.25830	100.0
336.26004	1.9
415.22266	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05032	1.9
57.03395	0.4
60.04512	0.6
63.29057	0.4
69.03423	1.0
69.07040	0.5
70.02953	0.6
70.06601	5.0
72.08158	8.3
74.06083	5.6
79.70032	0.5
84.04506	5.3
84.08138	2.2
85.02901	1.7
86.09708	11.6
87.10064	0.7
88.04017	2.3
91.05449	0.6
97.02875	0.6
98.20747	1.3
98.97565	0.7
102.05544	4.6
107.04942	0.5
110.07175	1.1
116.07104	1.0
122.02703	0.6
127.05021	1.1
127.08664	0.8
129.10219	1.0
132.10216	1.6
133.06088	0.5
135.97295	0.5
136.07529	0.6
137.06006	1.0
143.08255	0.5
145.06052	1.1
151.07503	1.4
155.08105	0.8
159.07722	0.9
163.03888	1.1
167.06998	0.6
173.05515	1.0
173.09190	1.2
175.03679	2.6
177.05455	0.6
181.04971	2.1
187.10809	0.7
189.12387	1.0
191.10281	2.7
197.12843	1.1
201.12347	1.2
203.04039	0.8
215.13960	2.0
217.08191	1.3
219.13419	0.8
221.05150	1.0
221.08017	0.9
243.13489	0.9
245.07787	1.0
247.12866	0.6
268.14163	0.5
301.12451	1.9
302.09872	2.0
403.13843	1.5
415.22290	0.5
433.16757	100.0
434.16394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01863	1.2
55.05500	0.5
62.28150	0.5
65.03678	0.6
65.03940	6.5
67.05506	2.4
68.99789	0.7
69.03419	1.6
69.07073	0.6
69.25251	4.5
70.06593	3.2
72.08137	2.9
75.72694	0.5
79.05499	7.9
80.39102	0.4
81.07049	1.1
82.04183	3.1
84.08131	1.2
85.02917	5.1
86.09707	3.5
91.05482	1.2
93.03383	1.8
93.48326	0.5
95.04964	5.0
97.02866	0.6
97.06526	2.1
98.21560	1.1
103.05452	1.0
105.04531	0.9
105.07034	6.4
107.04959	16.5
108.02082	0.8
110.03642	3.2
111.04424	1.2
114.99519	0.5
115.05422	1.5
116.07087	1.9
117.06992	0.8
120.08173	2.5
120.08839	0.5
123.04449	4.8
124.05207	3.2
125.05988	2.8
129.05533	0.6
129.10248	0.6
130.06454	0.9
131.04924	1.3
133.06483	7.4
137.05966	0.8
138.03104	2.3
140.04707	0.9
142.02571	3.2
145.02847	1.4
145.06470	0.8
149.05951	1.1
152.04694	2.0
153.05444	4.0
155.07013	2.5
159.09177	1.3
161.05998	11.8
163.03870	1.0
167.07051	22.5
171.06558	2.8
177.05464	3.0
178.06230	0.9
181.04961	100.0
183.06543	2.5
189.05457	1.5
191.11780	1.0
193.08606	14.0
204.57758	0.6
206.05774	2.0
215.13974	0.7
219.06493	0.8
219.11369	1.1
221.08098	31.5
233.08147	0.8
249.05046	1.0
249.07603	17.5
272.17111	0.7
287.05481	6.5
299.09341	0.5
312.12570	0.9
317.08319	0.6
325.10745	1.2
342.10901	0.9
353.60556	0.5
357.13284	0.9
372.12271	0.7
373.12787	1.8
403.13889	85.1
404.14215	1.5
433.16400	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	433.1498
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
56.96524	3.0
65.37706	0.4
65.89915	0.5
67.05482	0.9
69.07037	0.7
71.52207	0.9
79.05464	1.2
81.07027	1.0
84.95974	1.1
87.26502	0.5
93.07012	1.1
95.08585	1.3
98.97585	4.9
105.06963	1.4
106.18787	0.5
107.08530	1.5
109.10128	0.6
113.42353	0.5
116.98575	1.5
119.08522	1.0
121.10072	1.1
127.03864	1.2
128.98546	1.1
133.10075	1.0
134.99622	0.6
135.11618	0.6
147.11655	0.6
156.09460	0.6
157.10020	0.5
158.99539	0.6
161.05902	0.6
163.14760	0.6
165.04240	0.6
165.05487	6.7
169.00165	0.6
170.99658	1.1
174.99266	0.6
178.06198	0.7
183.02901	3.2
189.00719	0.7
190.98659	0.7
205.08484	0.5
211.02309	2.0
271.06073	1.3
273.07529	0.5
283.05939	0.8
285.07486	0.6
289.06934	2.9
299.05658	2.3
299.08560	0.6
301.07043	0.9
311.05469	1.8
313.07114	0.9
314.07751	1.9
317.06561	2.8
327.04919	3.6
327.08459	0.9
329.06601	1.9
329.10205	1.1
331.08041	0.9
339.05157	2.5
341.02820	0.7
341.06384	1.5
342.07391	1.6
345.06030	7.9
347.11273	0.8
353.06390	0.5
354.07382	0.7
355.04489	1.2
357.06009	2.3
357.09897	1.9
359.07697	1.8
360.08612	2.6
369.05014	2.0
370.06726	1.2
373.05435	4.5
375.10818	2.2
385.09286	7.4
387.06989	4.2
387.11179	0.6
388.07867	3.8
392.99945	1.4
399.10855	1.2
403.10260	65.6
404.10608	1.6
411.00806	1.9
415.32538	0.6
417.11832	3.9
418.12598	7.6
433.14978	100.0
433.31470	2.2
434.15387	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1498
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
50.67687	0.4
53.03949	2.2
55.01858	0.9
56.05026	0.5
57.03441	0.5
59.57174	0.5
65.03947	7.1
67.05508	2.6
69.03425	2.3
69.07063	0.9
70.06597	2.7
70.75389	0.9
70.75748	0.7
72.08168	3.3
74.06092	0.6
75.04470	0.5
77.03934	0.7
79.05502	8.4
81.03407	0.8
81.07053	0.7
82.04192	3.0
84.04491	0.7
84.08128	1.3
84.15063	0.4
85.02914	5.5
86.06066	0.5
86.09706	8.3
87.10048	0.5
91.05476	1.0
93.03417	2.6
94.04157	0.5
95.04974	5.7
97.02904	1.0
97.06561	2.5
98.82609	0.5
103.05489	1.0
105.04500	0.8
105.07029	6.2
107.04962	18.4
108.02092	1.3
110.03672	4.1
110.07166	0.8
111.04421	0.9
112.44464	0.5
114.05589	0.5
115.05441	1.4
117.06974	1.0
120.08109	0.6
121.06499	0.5
123.00838	0.4
123.03705	0.6
123.04443	6.1
124.05213	3.3
125.06008	3.5
127.03902	1.5
129.10254	0.7
131.04918	1.3
133.06493	6.2
137.05981	1.3
138.03142	2.2
139.07591	0.4
140.04680	1.4
142.02637	2.9
143.06075	0.6
145.02930	0.5
145.06461	1.1
147.04454	0.8
149.06023	1.0
151.44316	0.5
152.04704	1.5
153.05475	3.2
155.07048	2.6
161.05998	10.8
162.07649	1.0
167.07051	27.2
167.10657	0.6
171.06569	3.9
173.12971	0.7
177.05521	0.6
178.06256	1.1
181.04964	100.0
182.05321	0.9
183.06540	2.3
189.05492	1.6
191.07013	0.9
193.08620	13.9
201.05420	0.7
201.12332	1.0
205.08514	0.5
206.05746	1.3
207.06598	0.6
218.05698	0.5
221.08098	30.5
233.08099	3.4
233.15083	0.8
249.07626	17.1
254.14906	0.5
261.07568	1.1
265.08646	0.5
297.11212	0.5
325.10577	1.0
329.10236	0.7
341.10513	0.7
342.10812	0.7
357.13651	0.6
372.12033	1.3
373.12848	1.1
387.14313	1.6
403.13910	79.7
404.14294	1.4
415.13861	3.4
433.14993	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1471
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.03931	1.5
55.05484	3.0
56.05015	2.8
58.06596	0.8
60.04503	2.5
65.03905	1.6
69.03397	3.1
69.07043	1.9
70.02929	1.0
70.06593	16.9
70.18855	3.6
72.08155	38.8
73.08461	1.4
74.06081	6.8
81.03411	1.0
83.06115	1.3
84.04514	9.2
84.08147	9.2
85.02862	3.5
86.09708	26.3
87.05558	1.3
87.09309	0.9
87.09969	1.2
88.03968	2.3
91.05431	1.6
95.04931	1.7
97.02856	2.4
98.21482	0.9
101.07124	1.9
102.05547	5.3
104.05325	1.6
105.07014	0.9
107.04904	2.4
110.07188	7.3
111.07487	1.6
112.07536	1.1
115.03902	1.0
116.07027	3.5
119.04924	0.9
119.21018	0.8
120.08047	3.4
126.05475	1.1
127.08620	1.8
129.10274	5.9
130.04959	1.8
130.06502	1.9
132.10141	3.1
133.04921	1.0
136.07535	1.9
137.05937	1.7
138.09073	1.0
139.08618	1.6
140.07008	2.8
144.06467	1.7
145.02789	1.1
148.06027	0.9
155.08133	2.0
156.10228	1.4
159.11302	1.3
161.05908	1.8
162.07623	2.2
163.03839	3.1
167.07025	4.1
173.09212	2.7
173.12808	2.6
175.03703	4.1
177.05377	2.1
181.04922	13.3
181.53857	0.9
183.11125	1.3
185.09161	1.3
187.10733	3.0
187.14438	4.3
188.07164	1.0
193.08487	1.1
197.12793	1.2
201.08601	1.3
201.12321	6.3
203.10121	1.1
203.13814	1.4
205.11763	2.6
212.06624	1.0
213.08591	1.2
215.10313	1.3
215.13863	3.3
217.08131	1.4
219.13292	3.7
221.08011	3.7
229.11858	4.1
243.13301	1.7
249.07407	2.2
261.14404	2.3
267.15729	0.9
271.11505	1.5
272.08960	2.1
284.12326	1.9
302.13321	1.6
332.06204	1.4
339.52158	1.0
403.13950	9.4
415.22174	1.0
433.14621	100.0
434.14151	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	433.1496
Annotation	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
Peak:m/z	Relative Intensity
51.68760	0.4
53.03962	2.4
55.01853	1.5
55.93276	0.5
65.03952	7.6
67.05502	3.7
69.03419	1.9
71.52004	0.6
77.03938	0.8
79.05504	7.6
81.03418	0.8
81.07066	0.6
82.04208	2.6
84.08110	0.8
85.02537	0.4
85.02926	4.9
86.09707	1.1
91.05472	1.8
93.03393	2.1
93.07034	1.2
94.26559	0.6
95.04984	5.4
95.08620	0.6
97.06529	2.2
97.23645	0.6
103.05471	1.6
103.48707	0.6
105.04518	1.0
105.07051	7.7
107.04971	15.0
107.08605	1.1
108.02081	1.0
109.06502	1.1
109.10172	0.7
110.03684	4.1
111.04438	1.3
111.08029	0.7
115.05450	2.1
117.07038	0.8
119.08598	0.9
121.06501	0.8
121.10140	0.7
122.03654	1.4
123.00784	0.8
123.04451	4.7
124.05228	3.0
125.06008	3.2
131.04926	2.5
133.06502	8.9
133.10109	0.9
137.02446	0.6
137.06007	9.4
138.03156	1.9
140.04720	0.6
141.09091	0.6
142.02612	2.6
144.78267	0.5
145.06451	0.7
146.03625	1.1
149.05988	1.2
152.04698	1.5
153.05457	2.7
155.07051	2.2
160.05185	0.9
161.05998	13.8
163.03896	0.8
167.07059	19.7
171.06580	3.8
172.05168	0.8
175.07518	0.6
177.05479	1.1
178.06311	1.1
181.04974	100.0
183.06546	4.0
189.05455	2.2
191.03377	0.6
191.06987	0.9
193.08641	12.9
205.08627	1.0
206.05786	1.8
207.06514	1.4
219.06522	0.8
221.06168	1.5
221.08102	33.4
233.08011	3.5
238.06204	0.9
248.34734	0.7
249.07602	16.5
253.08609	1.3
265.08627	1.2
285.11270	0.8
293.08023	0.9
311.09244	1.9
325.10489	1.3
341.10162	5.2
342.11029	0.7
343.11768	0.7
371.11212	0.6
372.11899	0.8
373.12848	3.6
403.13928	68.1
404.14301	2.3
415.13821	2.0
433.15106	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	432.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
57.19357	0.9
67.05503	1.8
69.51815	5.7
79.05486	6.1
81.03436	1.1
81.07043	1.8
91.05495	1.0
92.43260	0.9
93.07063	1.2
93.85590	0.9
94.45854	0.8
95.05007	1.2
95.08593	2.1
106.06552	8.9
107.04960	46.6
108.21586	0.8
109.02882	4.3
109.10168	1.1
119.08619	1.5
123.04461	1.7
134.06013	8.3
135.04422	29.8
135.11639	1.0
136.97269	0.8
152.07066	100.0
153.07381	0.9
220.57051	1.0
270.08545	0.8
432.31186	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1472
Annotation	1178-24-1
Peak:m/z	Relative Intensity
54.53501	0.4
56.05033	0.6
59.67202	0.4
69.03429	0.5
70.06583	2.3
70.08711	1.3
72.08163	2.7
74.06079	2.1
84.04510	2.2
84.08115	0.4
85.02891	1.1
86.09708	5.0
87.05540	0.4
88.03998	0.6
102.05542	1.9
110.07147	0.7
132.10127	0.8
135.04530	0.4
137.05901	1.0
140.25427	0.5
151.07535	0.6
163.06458	0.4
175.03673	5.2
181.04852	0.9
191.04382	0.4
191.10222	1.7
197.12775	0.6
215.13864	1.0
217.08083	0.4
245.35234	0.4
264.83334	0.4
301.12314	0.6
302.09808	0.6
381.33795	0.5
385.12534	0.6
403.13895	0.7
433.14670	100.0
434.14902	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02488	1.0
67.05505	1.7
69.68869	3.3
69.69282	3.8
72.32248	1.1
79.05509	7.9
81.07047	3.4
93.07033	2.8
95.08604	3.6
98.21542	1.4
103.71752	1.1
105.07040	1.4
106.06565	8.0
107.04963	41.7
107.08584	2.5
109.02881	3.8
110.61294	1.3
113.29794	1.2
116.98627	1.3
118.26384	1.1
119.08576	1.3
121.10161	1.9
123.04427	1.5
125.04610	1.2
133.10068	1.8
134.06030	10.0
135.04417	29.0
135.11765	1.4
137.06006	1.4
152.07076	100.0
159.11566	1.3
166.82376	1.7
169.37627	1.3
189.16341	1.8
430.12006	1.4
430.29779	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68351	1.2
55.01873	1.7
55.05502	4.6
57.03422	5.8
59.91134	1.3
61.97917	1.3
65.03941	1.4
67.05495	3.0
69.03439	7.5
69.07060	2.5
70.06579	3.9
71.05001	1.8
71.25238	2.7
73.02919	1.5
75.04478	1.8
79.05486	7.3
81.07047	5.8
84.08154	3.0
85.02892	9.0
86.09689	5.6
91.05470	13.9
93.07043	18.3
95.01345	6.7
95.04949	2.0
95.08602	4.1
97.02888	2.0
97.06532	1.5
104.05193	1.5
105.07034	12.7
107.08598	96.0
109.06504	3.9
109.10185	1.5
113.02399	1.5
115.05464	2.0
117.07001	3.2
119.08553	4.0
121.06516	17.3
121.10160	9.9
122.07290	5.2
123.08076	2.4
130.07777	3.7
131.03363	1.7
131.06993	1.7
133.10132	3.2
135.08064	52.0
135.11693	69.9
135.12735	3.3
137.05969	3.6
141.01845	11.8
143.08549	1.7
145.10136	13.9
159.11679	2.1
161.06056	1.9
163.11185	100.0
165.01811	2.0
166.02162	1.6
177.05437	4.2
181.05002	4.5
181.12238	15.1
197.13206	1.4
221.15433	2.3
237.14915	1.7
255.15909	9.2
267.06549	6.4
268.06870	5.8
269.07138	12.3
333.54037	1.2
339.14331	3.7
420.09711	1.4
431.14966	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	432.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11657	1.1
55.05513	8.4
56.05024	2.8
56.96577	1.1
60.04530	12.5
62.44159	1.1
64.93270	1.1
69.03424	3.1
69.07076	8.1
70.02943	2.1
70.06594	20.6
71.06931	2.0
71.51688	2.0
72.08158	100.0
72.68514	1.3
73.08501	3.4
73.38916	1.1
74.06080	4.2
81.03410	1.3
83.06104	2.6
84.04494	8.5
84.08150	14.2
85.02901	5.0
86.09711	95.0
87.05598	13.8
87.10028	1.6
88.03978	5.0
95.06100	1.2
96.08105	1.2
97.02900	3.0
98.06051	2.1
101.07144	2.5
102.05548	5.0
103.05471	1.4
105.06575	1.4
109.02888	1.5
110.07169	11.5
112.08739	1.8
112.11263	2.6
115.08698	2.4
116.03422	1.5
116.07110	2.7
118.08642	5.7
119.04974	1.5
120.08124	3.5
127.08704	3.6
128.10736	7.2
129.10229	8.2
130.04993	2.6
131.04938	2.3
132.10255	1.8
133.06102	34.0
135.04433	1.7
136.07570	5.0
137.05974	2.1
138.05435	1.7
141.10263	4.5
143.11761	1.5
146.05983	1.2
147.07674	2.6
155.11824	3.4
159.11314	4.9
160.55748	1.4
163.03938	6.1
169.09804	2.1
171.14937	1.3
173.12865	54.4
181.04974	1.3
183.11279	3.0
186.12314	6.2
187.07243	1.6
187.10823	4.1
199.14484	1.6
200.13805	6.2
201.12341	39.1
205.11783	2.1
214.11932	4.2
215.10301	5.8
219.13358	2.3
228.13499	3.9
229.11871	1.8
232.12933	46.5
233.11415	1.8
246.14578	5.2
255.17000	3.1
282.18185	4.6
297.87936	1.2
300.19229	16.9
304.08389	1.3
304.85501	1.3
327.20349	2.2
346.36148	1.4
354.25742	1.2
366.39078	1.4
388.08542	1.3
415.21609	1.5
432.25461	6.0
433.15433	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	430.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.05512	1.9
56.05026	2.1
57.03194	1.4
57.03441	17.9
57.07078	12.8
59.04983	2.2
59.39892	1.0
60.04519	2.3
63.04202	1.7
63.04499	18.7
63.19596	1.0
69.03436	59.2
70.06597	16.8
71.04947	1.1
71.51634	2.0
72.08172	7.4
73.02905	1.5
74.06081	3.8
75.04478	1.0
75.05573	2.3
79.24443	1.0
81.03418	2.6
84.04494	4.1
84.08142	9.0
85.02911	40.0
86.09715	32.7
87.04479	42.3
88.03999	2.1
91.05481	2.1
97.02899	50.3
97.03534	2.5
99.04459	2.5
101.07164	2.6
102.05533	2.1
109.02898	1.3
110.07169	1.8
111.04465	1.4
115.03940	74.8
116.07084	1.0
119.04988	1.4
119.10705	100.0
120.08103	4.6
121.08398	1.5
123.04453	1.4
124.03954	1.1
126.05482	1.1
127.03925	5.3
129.06577	1.2
129.10223	6.3
130.05028	2.6
133.04974	69.4
136.07574	6.3
137.05991	2.9
139.03946	1.2
143.11760	3.4
144.06584	1.4
145.04979	6.7
147.07661	4.8
150.07632	7.2
157.13373	1.2
161.11774	1.5
162.05612	1.1
163.03874	1.2
163.05957	1.9
169.04994	1.5
171.11290	2.1
182.02715	1.4
186.08809	3.0
188.06729	1.1
192.10168	1.3
220.76482	1.3
229.15501	1.7
237.12360	8.4
241.07100	2.1
251.14897	2.9
259.08072	3.2
260.16046	2.9
265.11960	2.3
277.09265	1.8
281.16040	3.9
295.10089	2.5
299.17380	1.6
421.26279	1.4
430.12680	1.1
430.18802	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	430.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.0
57.07054	2.9
67.05510	4.6
69.07072	9.1
70.06627	2.5
70.81069	3.4
70.81409	2.3
72.08162	100.0
73.06540	3.0
81.07052	2.5
86.09711	85.0
86.34007	2.1
93.07112	2.9
107.04977	2.2
125.22787	2.1
134.98914	2.2
135.04433	2.0
152.07057	6.5
172.13324	69.5
183.80907	1.9
186.14909	69.8
200.12805	29.3
214.14392	25.2
231.51701	2.1
241.13448	2.8
300.18033	18.9
314.19675	14.2
385.26971	67.1
413.26212	12.1
446.66205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3732
Annotation	4alpha-formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.05514	5.4
57.07085	9.8
67.05497	5.2
69.07074	12.1
70.10981	2.7
70.11375	2.4
71.08635	6.9
79.05501	5.2
81.07059	20.9
82.07372	1.2
83.04961	1.1
83.08621	5.0
85.10181	5.0
91.05472	3.2
93.07044	6.9
95.08067	1.5
95.08619	19.0
97.06535	2.1
97.10186	3.2
97.27596	1.1
98.20814	1.1
105.07053	5.8
107.04967	1.4
107.08596	8.6
109.10165	7.5
111.11729	2.6
119.08572	5.1
121.06505	2.9
121.10173	5.7
123.08089	1.8
123.11707	3.7
125.05924	1.2
131.08578	4.4
133.10149	5.5
134.73845	1.0
135.08052	2.0
135.11681	3.6
137.09637	1.2
137.13272	1.4
139.39340	1.0
143.08594	2.8
145.10155	5.3
147.11694	4.1
149.09579	6.3
149.13248	2.4
157.10136	5.3
159.11703	5.9
161.09624	1.9
161.13293	2.1
163.11183	4.4
163.14828	2.1
165.09128	12.4
165.16411	1.3
169.10158	1.0
171.11700	1.5
173.13275	1.9
175.11201	8.5
175.14841	1.2
177.12796	2.6
183.11691	1.6
185.13339	2.3
187.11227	1.2
187.14882	1.1
189.12729	1.6
197.13301	2.0
199.14920	1.8
201.12767	2.1
201.16412	1.3
203.14220	1.7
205.12407	1.0
211.14839	1.7
215.14273	1.2
217.15833	1.4
229.15958	2.1
229.19276	1.0
253.19556	1.4
257.18881	1.5
271.20502	1.3
393.35217	2.7
411.36221	10.9
429.31989	8.0
429.37296	100.0
430.37796	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
54.19748	0.7
55.01852	0.7
55.05501	2.8
55.49716	0.8
57.07081	19.5
67.05501	5.2
67.78939	0.7
69.07056	3.2
69.07388	0.7
70.76390	1.4
70.76730	0.8
71.08287	1.0
71.08641	11.0
79.05496	1.3
81.07053	7.0
83.04963	0.9
83.08611	2.7
85.10178	6.5
91.05476	2.5
93.07041	1.7
95.08604	7.0
97.10155	2.5
105.07035	2.7
107.08608	5.3
109.06532	0.8
109.10168	5.7
111.11710	0.9
113.13294	0.9
117.07063	0.7
119.08595	4.0
121.06503	1.6
121.10162	3.5
122.07340	0.7
123.08076	0.9
123.11683	1.3
127.45814	0.9
131.08583	2.4
133.10101	1.9
135.08052	5.8
135.11705	2.5
137.06021	0.9
137.09615	10.5
137.13232	1.0
139.07567	2.3
145.10159	2.2
147.11639	0.9
147.78549	0.6
149.08456	0.8
149.09639	15.3
151.07532	1.5
159.08054	1.0
159.11694	2.6
161.09547	1.0
162.06746	1.0
163.11188	23.2
165.09123	100.0
166.09511	1.2
173.09631	2.9
173.13281	2.9
175.11162	6.5
176.08360	2.7
177.09114	13.2
177.12784	2.1
179.10707	1.1
186.10442	0.8
187.11203	3.2
189.12801	1.9
190.09987	1.0
191.10699	8.8
193.12257	0.8
200.11958	0.9
201.12743	2.4
203.10730	2.0
203.14384	1.8
204.11578	0.9
205.12245	11.7
207.78261	0.8
215.14468	1.6
219.13806	6.8
229.15860	1.5
233.15424	3.3
247.17078	2.3
261.18573	0.8
275.20084	1.6
289.21631	2.5
290.21985	0.7
303.23276	2.0
317.24860	1.2
331.26324	0.8
359.29404	0.8
363.63855	0.8
373.31177	1.3
401.34149	3.1
411.36404	2.8
426.48209	0.9
429.32373	2.8
429.37305	68.1
430.37903	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	14.3
57.07071	19.5
67.05494	15.0
69.07074	100.0
71.04977	7.9
71.08643	5.4
71.52670	7.2
79.05486	9.8
81.07065	30.5
83.08631	36.0
85.06572	4.6
85.46974	4.7
91.05433	6.9
93.07052	17.3
94.72973	4.3
95.08627	30.5
97.06513	6.2
97.10201	5.9
97.16438	4.3
99.04450	11.8
105.07034	16.4
107.08590	19.6
109.06558	4.4
109.10159	18.9
119.08571	19.4
121.06500	8.2
121.10150	13.4
123.08009	7.2
123.11740	11.1
125.13307	4.9
131.08537	11.6
133.10152	14.5
135.11688	6.9
143.08545	5.7
145.10129	17.2
147.11658	13.5
149.13290	8.9
159.11702	9.8
161.13271	6.6
165.09154	5.1
169.10072	5.8
187.14830	12.2
201.16321	5.6
287.20062	4.7
393.31461	8.0
411.32126	22.4
429.32150	66.6
438.65118	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	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05486	10.5
57.07062	23.2
59.07971	6.6
63.96877	6.3
69.43000	43.1
71.08613	23.0
77.53830	6.3
81.07062	14.3
85.10168	13.0
90.20047	6.1
91.05486	8.9
93.07053	8.8
95.08591	9.2
97.06557	7.4
97.10153	7.9
98.21134	27.0
107.08590	15.0
109.10142	11.0
119.08582	6.9
120.60829	7.3
121.10069	10.0
133.10088	6.1
135.11705	7.2
137.09636	20.9
145.10046	6.9
149.09592	21.7
152.69598	6.7
153.83681	6.3
162.06424	6.2
163.11179	24.9
165.09132	100.0
177.09090	15.9
187.11125	7.4
190.10136	6.9
191.10600	12.9
214.11763	7.2
219.13828	7.2
411.36252	19.4
429.31818	45.4
429.37164	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	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01871	4.1
55.05504	1.9
57.03436	3.7
61.02922	3.1
67.05506	1.5
68.99788	1.1
69.03431	20.7
69.07053	3.0
69.91482	1.3
69.91883	3.5
70.06596	6.3
71.01347	1.1
71.04980	3.9
72.08163	4.7
73.02921	4.7
76.18816	0.8
79.05471	2.9
81.03422	20.2
81.07066	5.8
83.04978	1.7
84.08133	2.4
85.02907	39.4
86.09711	5.8
87.00830	15.2
87.04491	1.0
91.03968	1.4
91.05488	5.8
93.07045	8.6
95.04968	14.9
95.08607	1.8
96.21526	0.9
97.02888	14.5
99.04449	8.9
101.77026	0.8
103.03930	2.6
105.01874	11.9
105.07020	6.9
107.04980	1.5
107.08577	10.1
109.02139	1.3
109.02881	21.1
109.06503	2.4
111.00790	0.8
115.03931	1.0
115.05384	0.9
116.07040	0.9
117.01854	2.3
117.07026	2.6
119.08588	6.6
121.06513	3.5
121.10146	9.2
123.04420	1.1
125.06019	1.6
127.03915	34.3
128.06216	1.0
129.01863	2.8
129.10266	1.1
130.07771	2.4
133.10133	1.3
135.08080	2.2
135.11714	4.8
137.05978	2.3
145.04959	14.5
145.10121	14.3
147.02916	2.2
147.08051	2.4
159.02896	13.7
161.09586	1.6
163.11183	100.0
164.11621	0.9
165.09163	1.7
167.07069	2.3
168.86600	0.8
175.11195	1.9
177.04024	0.9
181.12198	4.5
183.10069	1.1
189.03918	2.2
201.46404	0.9
205.12263	4.7
213.03951	1.8
223.13316	9.0
231.05000	8.7
249.14601	0.8
267.12598	1.6
271.13211	1.4
337.09027	1.0
393.15314	3.1
411.16086	1.4
429.21677	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	429.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	1.0
52.01071	1.2
53.03948	7.5
55.01872	4.0
55.05515	6.9
57.03436	7.3
61.02938	1.4
62.49736	1.1
67.05487	2.6
68.99784	2.3
69.03429	15.9
69.07065	3.1
70.06580	1.6
70.10017	4.8
71.04991	2.8
72.08144	1.2
73.02910	2.3
79.05495	17.6
81.03417	6.9
81.07055	11.1
83.04971	2.5
84.08107	1.2
85.02909	19.4
86.09694	3.3
87.00819	9.2
88.69321	1.0
91.05480	21.1
93.07043	71.1
95.04981	5.2
95.08590	6.3
97.02907	7.2
97.46790	1.2
98.21415	1.5
99.04436	2.0
105.01835	6.9
105.04527	1.4
105.07027	16.6
107.04973	1.8
107.08594	32.9
109.02885	8.9
109.06529	5.9
109.10169	6.0
111.04462	1.7
111.08104	1.3
117.01874	1.5
117.07007	4.6
119.08566	5.0
121.06506	47.3
121.10145	63.0
123.08078	4.2
127.03924	15.0
130.07809	3.5
135.11687	27.4
139.07544	2.6
139.11182	2.4
143.08501	1.5
145.04970	5.4
145.10123	36.1
151.03815	1.4
153.12753	1.1
159.02899	4.0
163.11183	65.5
181.12233	100.0
194.10168	1.3
231.05045	3.0
233.70436	1.2
255.02420	1.0
267.06424	1.7
267.71069	1.3
281.96646	1.3
309.44647	1.2
339.12842	1.3
429.11447	2.4
429.20966	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	428.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30361	0.6
51.73669	0.6
55.05496	2.8
56.05036	51.4
57.03430	1.3
57.07059	1.6
58.06580	1.9
58.80103	0.7
61.01150	1.5
65.00656	1.4
67.05504	11.8
67.56392	0.7
69.07060	4.0
69.72506	2.7
74.02441	85.6
74.06087	3.4
75.02708	29.9
79.05499	4.3
79.14056	0.6
81.07057	12.1
83.08610	1.5
84.04482	1.1
85.02905	0.9
86.09705	0.9
91.05462	2.7
93.07034	6.5
95.08611	7.9
97.06525	0.9
97.10175	0.9
100.03992	1.3
102.05544	13.2
104.10734	1.1
105.07020	2.5
107.08619	3.2
109.10144	3.0
110.93703	0.7
111.08097	0.8
113.00005	4.1
119.08587	1.9
120.04793	1.3
121.03150	1.1
121.10139	1.9
123.11652	1.1
131.01637	2.1
131.08545	0.8
133.10150	1.7
135.11745	1.4
137.13242	0.7
147.11693	1.0
148.04216	2.9
149.01497	1.5
149.02684	22.1
149.13260	2.0
156.06534	1.6
161.13275	0.8
166.05339	100.0
169.02568	3.5
243.21207	0.9
290.24905	2.0
318.27927	15.1
364.28461	88.6
365.28726	1.8
410.27136	3.4
428.28174	5.6
428.37021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3159
Annotation	11-Deoxo-6-oxo-5alpha,6-dihydrojervine
Peak:m/z	Relative Intensity
51.47554	0.4
55.05511	1.1
57.07059	0.7
67.05513	5.5
69.07068	1.2
69.51790	2.7
74.09646	0.4
77.82861	0.4
79.05488	1.9
81.07067	4.9
83.08637	1.0
86.09765	0.4
89.03165	0.5
91.05486	1.7
91.21584	0.5
93.07050	3.1
95.08624	4.8
98.21512	0.5
103.05482	5.7
105.07030	0.8
107.04967	1.1
107.08604	1.6
109.10184	1.1
119.08576	0.6
120.08116	100.0
121.08377	0.5
121.10162	1.2
123.11739	0.8
131.04956	1.8
133.10136	0.5
149.05994	1.7
161.13301	0.6
166.08655	46.1
167.09004	0.7
245.22707	0.9
382.31519	2.0
428.25580	0.5
428.31558	2.9
429.33234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1526
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
55.05495	0.3
56.05029	0.4
61.02914	0.3
66.75491	0.3
69.03421	0.6
69.07059	0.6
70.06593	3.0
70.64520	0.4
70.64857	0.7
71.04972	0.3
71.06906	0.3
72.08156	1.8
75.69629	0.2
81.03407	0.5
81.07061	0.5
84.04485	0.5
84.08166	2.0
85.02892	1.0
86.09705	4.1
91.05456	0.5
93.07049	0.7
95.08573	0.4
97.02879	0.7
97.06482	0.3
102.05531	0.3
105.07053	0.6
107.05007	0.3
107.08609	0.5
109.02856	0.5
110.07173	0.9
119.08578	0.5
120.08068	1.6
121.06514	0.4
121.08414	0.5
121.10118	0.6
127.03882	1.1
129.10197	0.7
133.06012	0.3
137.05965	0.5
145.02771	0.4
145.04999	0.4
145.10150	0.5
147.28952	0.3
157.13358	0.5
162.06670	0.3
163.03867	0.3
163.11136	1.3
177.05414	0.5
181.12259	1.6
217.04713	3.7
232.07066	41.7
233.07852	1.8
236.11049	0.5
245.07936	0.7
251.15025	0.4
273.09708	0.4
283.86945	0.3
289.05219	0.4
381.13071	0.9
398.13544	0.7
429.15201	100.0
430.15485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
56.42699	0.2
56.47801	0.2
57.03428	0.3
61.02929	0.6
62.09629	0.2
64.28880	0.3
67.09295	0.2
69.03423	0.9
70.95580	0.5
70.95914	0.2
71.21606	0.2
72.08160	12.7
81.03423	0.5
85.02908	3.0
89.03920	2.1
90.09187	1.0
96.79871	0.2
97.02895	0.9
105.03401	0.3
117.03388	9.0
127.03917	0.3
134.03658	0.6
135.04434	0.3
145.02855	40.6
146.03212	0.5
148.24013	0.3
149.05988	3.8
169.59776	0.2
170.48232	0.2
176.85025	0.2
177.05478	100.0
178.05754	1.1
186.05605	0.3
259.60349	0.2
266.13889	37.2
267.14188	0.8
335.38306	0.2
340.08246	0.3
428.19312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
61.02926	0.3
69.03423	1.0
69.95859	0.5
69.96273	1.3
70.06588	0.5
72.08157	10.3
81.03424	0.4
85.02905	2.3
86.09679	0.3
89.03921	2.4
90.09199	2.0
92.90942	0.3
97.02901	0.6
98.06036	0.3
103.34422	0.3
109.02848	0.3
117.03391	10.9
119.04965	0.3
134.03610	0.6
135.04420	0.4
145.02849	41.6
149.06001	4.2
163.03835	0.5
177.05473	100.0
178.05812	0.8
179.03307	0.3
186.05498	0.3
210.57588	0.3
252.14464	0.5
265.05035	0.3
266.13879	30.3
267.14304	0.5
374.83176	0.3
376.40857	0.3
428.13538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
54.23173	0.6
55.01871	0.6
57.03437	0.9
61.44718	0.5
62.83419	0.5
65.03940	1.2
69.03435	2.9
69.70773	3.7
70.06596	7.5
72.08151	2.4
79.05476	1.3
81.03428	0.7
81.07057	1.4
84.04512	1.2
84.08138	2.6
85.02915	4.5
86.06078	4.5
86.09712	1.3
87.04455	2.6
89.03916	4.2
91.05482	2.8
93.03396	1.4
93.07029	0.6
93.80910	0.5
97.02893	3.4
98.97559	0.8
99.08080	1.0
103.43942	0.7
104.07108	10.7
105.07040	1.5
107.04957	1.2
109.02862	0.9
111.04459	1.2
117.03404	7.1
119.04956	3.2
121.06509	2.6
122.03651	0.9
125.05992	1.5
127.03883	1.2
129.10243	1.6
131.04904	1.1
133.02896	0.9
133.04900	1.4
135.04416	11.3
137.05984	34.4
138.06306	0.7
143.00133	0.7
145.01784	1.0
145.02855	15.1
145.04807	0.7
147.04434	5.2
149.06001	2.6
151.07503	0.7
153.05461	2.4
161.05974	8.7
162.06779	2.8
163.03917	100.0
164.04323	0.6
172.05180	0.9
175.07567	2.4
177.05486	8.8
177.06953	1.0
179.03474	0.8
179.07039	1.4
180.10220	1.2
191.07101	1.4
203.07117	5.1
221.08101	6.8
233.08107	1.1
265.08813	0.9
266.10251	8.8
266.13770	1.3
267.10327	0.8
285.11166	2.0
297.11066	1.2
309.11218	2.0
327.11966	0.9
343.11935	2.4
345.13428	4.6
432.48538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32129	0.2
57.03419	0.3
61.02925	0.4
69.03425	1.4
69.86037	0.4
69.86430	0.6
70.06599	1.0
72.08125	0.4
79.05492	0.7
81.03419	0.5
84.08147	0.3
85.02911	2.6
86.06078	4.2
86.08616	0.2
86.09738	0.2
87.04479	2.0
89.03921	3.5
91.03970	0.2
97.02905	0.9
99.04518	0.2
99.08077	0.4
104.07109	10.9
107.04987	1.2
109.02875	0.4
117.03388	5.7
117.94373	0.2
127.03899	0.6
129.11682	0.2
135.04425	12.0
137.06017	0.4
140.05632	0.2
145.02855	11.5
163.03912	100.0
164.04243	1.0
177.05484	0.8
180.06607	0.3
263.86255	0.2
266.10251	12.1
307.08066	0.4
325.09238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
56.05026	0.2
57.03439	0.3
60.66590	0.2
63.02393	0.3
69.03424	1.1
69.54212	1.3
70.06597	1.6
72.08157	7.0
72.08547	0.4
73.02892	0.2
73.06519	0.2
78.04712	0.2
81.03424	0.7
81.36776	0.2
84.04511	0.4
84.08131	0.5
85.02897	1.4
85.04895	0.2
86.09721	0.7
87.00826	0.4
87.04484	0.3
89.03912	2.9
90.09191	0.3
91.05473	0.5
91.07181	0.2
93.07034	0.5
97.02883	0.6
103.05518	0.3
104.07091	0.3
109.02882	0.4
111.18153	0.2
115.08629	0.3
117.03384	11.3
120.08112	0.2
121.06507	9.4
127.03924	0.7
129.10255	0.2
134.03619	0.6
135.04410	1.4
135.39552	0.2
138.09135	1.5
139.00633	0.2
145.02849	41.1
146.03310	0.3
149.05981	4.3
163.03905	9.2
169.09679	0.3
177.05470	100.0
178.05888	1.0
178.74831	0.2
179.03394	0.4
180.03758	0.5
180.10201	7.4
186.05453	0.4
211.52034	0.2
216.65207	0.3
266.13840	3.7
321.09656	0.7
325.09015	0.3
339.10803	1.2
428.13562	0.8
428.19019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06816	0.4
56.81601	0.4
57.07887	0.5
63.02370	0.7
67.63354	0.4
67.63776	0.4
69.03413	1.1
69.52702	2.9
70.06592	1.2
72.08159	9.1
81.11217	0.4
85.02915	3.2
86.06049	1.1
87.04470	1.0
89.03918	3.1
90.09187	1.5
97.02882	1.0
103.05485	0.4
104.07110	2.0
117.03386	13.8
123.30467	0.5
127.03948	0.5
131.83932	0.5
135.04433	3.6
137.06026	0.6
145.02849	45.2
149.05995	4.5
163.03917	26.5
166.14433	0.5
177.05473	100.0
178.05797	0.6
236.89961	0.4
266.10361	2.4
266.13873	22.0
369.96027	0.4
392.53568	0.5
402.83673	0.5
443.88153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.0
70.17416	1.3
72.08156	10.1
73.06533	0.4
81.03447	0.5
85.02917	2.1
89.03910	2.7
90.09193	2.5
96.77307	0.3
97.02922	0.8
112.93414	0.3
117.03387	11.1
134.03610	0.7
138.85846	0.3
145.02852	45.4
146.03235	0.8
149.06004	4.6
152.33801	0.3
163.03954	0.4
177.05476	100.0
178.05835	1.4
266.13895	28.4
267.14270	0.6
273.03433	0.4
428.13440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05508	1.4
57.03432	0.7
61.02917	0.6
63.02384	0.6
69.03431	3.8
70.06593	9.0
71.50943	0.4
71.51307	0.6
72.08160	10.7
74.06064	0.6
79.05511	0.9
81.03413	1.7
81.07049	1.0
84.04503	1.7
84.08126	2.5
85.02908	7.7
86.06057	2.0
86.09711	3.2
87.04472	1.4
87.10084	0.5
89.03925	5.5
91.05490	1.3
93.07059	0.5
97.02900	2.9
98.10489	0.5
98.97556	1.2
99.04488	0.6
99.71960	0.5
103.05502	0.7
104.07092	2.5
105.07047	1.0
107.04952	1.2
109.02893	0.9
110.07159	1.5
112.88953	0.5
116.07112	2.0
117.03384	13.6
117.09098	0.6
119.04921	0.5
120.08151	0.5
121.06501	8.6
123.04417	0.6
127.03931	2.2
127.08714	0.8
128.80449	0.4
129.10246	1.1
132.08098	1.5
135.04422	10.6
136.07600	0.8
137.05983	1.5
138.09143	1.3
141.10190	1.1
145.02849	36.3
145.04758	1.2
146.03137	0.5
147.65628	0.6
149.05986	3.7
150.06723	0.7
150.07787	3.0
150.09018	0.8
151.08186	1.2
157.35742	0.6
160.07593	2.2
162.05478	0.6
163.03906	100.0
164.04282	1.0
169.09758	1.1
172.07532	0.9
177.05467	70.7
178.05905	1.0
179.03354	1.1
180.03621	0.6
180.10202	5.8
186.12338	1.5
187.10951	0.9
188.07083	14.3
189.07867	1.0
200.06976	0.7
200.10202	0.6
201.07806	1.0
202.08658	1.4
206.08162	3.6
214.11906	1.6
215.13951	0.5
216.06572	1.3
217.07373	3.0
218.08058	2.8
218.26750	0.5
228.06561	0.7
229.15564	0.5
235.08455	1.0
236.09227	1.7
246.07430	0.6
263.48248	0.6
265.07578	1.0
265.10965	0.7
266.07782	1.1
266.10318	1.8
266.13879	4.4
276.10468	0.5
292.09674	1.4
296.11960	0.7
304.09598	0.6
308.08896	0.8
313.18658	1.0
320.09033	0.7
320.67484	0.6
321.09799	0.8
322.10892	0.6
325.09164	1.6
339.10880	1.0
350.10312	0.7
366.13342	3.0
384.14413	6.8
392.11322	3.8
410.12292	2.3
428.13416	39.5
429.13553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
55.61357	0.2
56.05030	0.2
57.07077	0.7
58.06598	0.2
67.05502	0.3
69.07069	7.1
70.70123	0.3
70.70522	0.4
73.06548	1.8
81.07042	0.3
83.04981	0.6
83.07081	0.1
84.08147	0.4
86.09709	100.0
87.10034	0.4
93.07038	0.2
95.08621	0.4
105.07040	0.2
107.08611	0.2
112.07627	0.9
118.08690	0.4
130.08629	0.2
130.81187	0.2
133.10112	0.2
135.11671	0.2
168.13864	1.0
186.14896	71.9
187.15288	0.9
203.14326	0.2
205.15889	0.2
214.14384	30.2
215.14644	0.3
257.34900	0.1
279.64819	0.2
281.22339	0.2
299.23260	0.6
314.19623	13.8
315.19797	0.2
327.22861	0.4
357.69766	0.2
399.28574	10.1
400.28741	0.3
427.27728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01867	9.8
55.05516	38.6
56.96560	10.2
57.03432	10.6
57.07085	23.6
67.05517	59.4
69.03426	22.3
69.07072	56.8
69.29398	38.8
71.04971	5.6
71.08641	7.1
73.02927	6.1
79.05505	26.9
81.03426	23.0
81.07057	63.4
83.04977	5.2
83.08614	50.7
85.02909	10.0
85.10171	5.2
91.05476	14.3
93.07055	43.8
95.04956	8.6
95.08611	80.0
97.02895	100.0
97.06586	8.9
97.10175	26.5
99.04459	46.5
105.07053	14.7
107.08615	23.6
109.02901	17.1
109.10165	29.2
111.04462	7.1
111.08072	5.1
111.11739	10.3
117.07026	5.3
119.08565	8.4
121.10175	35.6
123.08072	7.1
123.11684	13.8
127.03929	33.0
129.06934	6.2
131.08527	7.7
133.10098	6.7
135.11674	24.0
145.04962	17.9
145.10167	6.8
147.11620	7.4
149.13284	9.7
159.11658	7.6
161.13295	9.9
163.14883	5.9
197.13228	5.1
239.17778	5.5
247.24249	13.7
265.25305	51.5
293.17969	8.6
305.24875	5.9
309.32562	5.8
311.19019	19.8
373.27365	14.3
391.28329	23.4
393.47882	6.2
395.39124	5.4
409.29605	13.1
427.30847	6.3
427.35950	12.4
446.35718	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	428.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00832	1.1
60.28994	0.9
63.75174	1.0
69.77209	4.4
70.06587	2.8
72.08168	2.3
72.25654	0.9
74.53688	1.0
84.08156	3.0
85.02930	3.6
86.09711	17.6
91.05492	14.5
97.02875	1.2
99.08114	1.1
110.07160	2.5
113.02370	100.0
119.04948	10.3
132.10233	7.7
137.05980	89.5
141.10266	0.9
145.02832	1.8
149.12296	1.1
152.05692	2.8
153.00325	1.6
154.08629	31.9
154.09837	1.8
163.03944	3.4
171.01471	2.7
177.05528	4.4
178.01036	1.9
178.57535	2.1
179.07394	1.4
184.06508	1.5
184.57423	1.0
185.07335	1.3
192.07242	1.7
192.57269	4.8
193.07233	3.1
193.58095	2.9
194.07852	2.8
201.07751	2.7
201.57788	6.6
202.07777	4.5
202.58740	2.7
203.08473	1.6
210.08179	2.2
210.58305	4.4
211.08147	3.2
220.02112	2.3
225.07930	1.3
239.60922	2.2
240.11017	3.3
240.60989	1.9
243.07352	1.6
248.61465	1.1
249.11583	3.6
249.61427	4.9
250.12003	2.0
255.07292	1.5
257.08734	1.3
257.61935	8.9
258.12039	22.8
258.61908	17.7
259.11935	2.5
273.08389	3.0
275.07547	2.6
288.14899	1.6
291.09482	3.3
296.15002	2.6
296.65134	16.5
297.04565	6.8
297.15067	8.6
297.65308	2.5
305.15671	3.5
305.65735	21.1
306.15558	15.8
306.65781	2.2
314.16122	8.9
314.66199	38.9
315.16095	45.9
315.66208	5.3
346.12433	1.5
362.19763	2.5
368.09418	1.2
371.20923	1.9
371.70328	2.6
404.17920	13.3
405.17493	2.5
428.17560	1.4
428.27155	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
55.01868	2.3
55.05508	8.3
57.03450	2.2
57.07082	2.3
67.05511	18.1
69.03424	6.5
69.07070	5.0
69.54460	5.1
69.54890	5.9
70.06598	3.4
71.01353	2.6
71.05000	1.6
73.02927	4.5
75.04488	6.7
79.05505	15.7
81.03403	2.3
81.07063	50.7
83.01322	2.2
83.04996	3.5
83.08627	3.3
85.02924	3.8
85.06567	2.1
87.04485	3.7
89.88137	1.8
91.05484	21.8
93.07046	41.3
95.04974	6.7
95.08617	46.3
97.02907	14.3
97.06530	8.5
101.02369	9.8
101.06028	2.8
103.05461	2.0
105.07039	47.8
107.08602	48.5
109.06525	4.3
109.10159	16.1
111.04428	3.0
113.02390	2.0
115.03931	2.7
117.07014	4.5
119.08595	85.4
120.08868	1.8
121.06516	6.1
121.10154	90.5
123.08069	23.9
123.11730	4.8
125.02333	3.2
125.09663	4.5
129.05513	12.6
129.07037	3.4
129.70415	2.2
131.08597	8.3
133.10141	48.2
135.08044	2.6
135.11699	33.2
137.09615	6.6
142.07846	2.0
143.03415	3.5
143.08586	5.2
145.10126	8.4
147.06519	2.7
147.08028	3.9
147.11699	22.0
157.05016	3.2
157.10118	5.6
159.11691	26.3
161.09662	12.1
161.13271	40.3
171.11723	2.8
173.09596	2.0
173.13368	2.3
175.06041	6.7
175.11168	3.7
175.14819	2.9
177.05563	2.1
189.12807	6.0
189.16403	100.0
190.16840	1.8
193.07095	21.5
199.14867	6.9
217.15883	36.7
235.16995	12.0
289.81436	1.9
295.06003	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	427.2459
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
55.05514	0.8
57.07076	0.7
67.05501	1.1
69.07057	2.2
69.57905	3.5
75.99953	0.7
81.07049	2.4
83.08617	0.7
93.07050	2.1
95.08607	2.6
105.07118	0.9
105.87852	0.6
107.08591	2.7
109.10166	3.8
112.96225	0.6
118.95860	0.7
119.08591	1.3
121.10151	1.7
123.11680	0.8
131.08571	0.9
133.10100	0.7
135.11703	1.5
145.10075	0.8
147.11676	0.7
149.13260	1.1
167.10439	5.8
171.00510	1.1
189.01617	2.6
189.16512	1.1
191.17926	0.9
228.43491	0.6
236.57906	0.7
238.90816	0.7
246.37654	0.6
301.14102	4.1
311.18976	0.7
315.12112	4.6
381.35141	1.6
409.34869	1.3
427.24606	100.0
428.25116	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84811	1.7
53.03933	4.0
55.01869	4.7
55.05508	11.6
55.35996	1.8
56.96568	2.3
57.03431	3.6
57.07066	1.8
59.04995	2.3
65.03961	2.0
67.05508	21.6
69.03424	9.6
69.07069	10.0
70.06582	6.3
71.01342	4.2
71.05002	3.3
73.02898	4.7
75.04488	10.0
79.05505	19.5
81.03415	5.2
81.07059	61.2
82.07381	1.7
83.01334	4.2
83.04970	2.5
83.08617	5.3
84.08147	3.5
85.02909	9.2
86.09683	2.4
87.04451	4.9
91.05492	29.0
93.06490	3.0
93.07048	49.2
94.39322	1.7
95.04961	5.2
95.08611	56.9
97.02898	16.9
97.06511	10.3
98.20744	3.5
98.97590	2.2
101.02387	8.9
103.05484	2.8
105.07037	57.2
106.07852	2.4
107.04987	2.1
107.07887	3.1
107.08600	56.0
109.06525	6.6
109.10160	17.2
110.97598	1.8
111.04434	3.0
111.08086	3.2
113.02399	2.4
115.03934	2.5
117.07024	6.5
118.72394	1.7
119.08588	90.0
121.06509	6.5
121.10152	100.0
123.08064	26.8
123.11733	4.9
125.02345	4.9
125.09618	6.3
127.03893	3.4
129.05489	14.6
129.07011	3.4
131.08557	13.0
133.10138	63.1
135.08025	4.9
135.11697	39.0
137.06035	2.2
137.09618	5.9
143.03397	3.3
143.08540	6.3
145.02869	3.7
145.10138	8.4
147.06506	2.3
147.08064	4.3
147.11700	26.4
149.13176	2.0
157.04985	4.7
157.10109	7.8
159.11710	25.2
160.12378	3.2
161.09644	15.0
161.13271	48.8
167.07036	2.2
171.11804	2.9
173.13266	4.2
175.06013	6.1
175.11180	6.5
175.14850	6.1
177.05502	8.5
179.07011	3.7
189.12813	4.3
189.16389	96.4
193.07108	25.2
199.14827	6.9
217.15877	48.6
235.16887	12.8
250.44940	1.7
427.12296	3.9
427.18442	4.8
435.55185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62149	1.7
53.03945	5.2
55.01883	3.2
55.05515	15.0
57.03424	2.9
57.07069	1.9
67.05508	20.0
69.03452	10.2
69.07063	6.2
69.95058	8.6
70.06599	3.3
71.01344	4.6
73.02916	7.2
75.04488	8.1
76.37659	1.6
77.23473	1.8
79.05498	21.8
80.74673	1.6
81.03409	3.1
81.06593	3.3
81.07060	61.6
83.01352	2.7
83.04984	2.4
83.08614	5.2
84.08155	2.4
84.14893	1.7
85.02902	6.6
85.06530	5.5
87.04486	4.0
89.03885	2.1
91.05476	23.7
93.07048	47.6
94.67477	1.7
95.04948	4.8
95.08614	53.2
97.02890	19.0
97.06515	8.7
100.11264	3.1
101.02374	8.7
103.35505	1.5
105.07034	63.6
107.04933	1.7
107.07880	3.5
107.08595	53.7
109.06546	6.2
109.10168	13.3
111.04458	4.7
111.08085	2.8
113.02385	5.8
115.05473	2.0
117.03380	5.8
117.06992	4.7
119.08589	83.9
120.08132	2.0
121.06522	4.2
121.10149	100.0
123.08061	26.2
123.11726	2.6
125.02361	3.8
125.09666	4.1
129.05518	12.1
129.07033	3.6
131.08569	9.0
133.10133	59.9
135.07982	3.2
135.11708	36.6
137.05995	3.2
137.09634	9.2
143.08545	4.7
145.02875	15.7
145.10135	8.4
146.10800	2.0
147.06598	4.3
147.08020	6.1
147.11682	21.8
149.05968	4.7
149.09602	2.2
149.69615	2.0
151.07597	2.4
157.04980	2.6
157.10120	5.4
159.11697	26.7
161.09647	13.2
161.10880	2.2
161.13254	51.8
171.11639	3.6
173.13242	3.7
175.06039	10.1
175.11218	7.8
175.14842	3.9
177.05458	23.8
187.14806	1.7
189.12801	5.8
189.16393	93.1
193.07098	20.8
199.14821	8.8
217.12451	1.9
217.15884	50.9
227.57234	1.7
235.16959	10.3
238.37805	2.1
247.73901	1.8
250.68967	1.7
261.17828	1.9
279.03845	1.9
359.83401	2.1
427.12598	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.5
57.04549	0.5
57.08913	0.2
69.03420	0.4
69.26176	0.3
69.70585	1.7
70.06592	1.2
72.08157	0.7
73.02924	0.3
81.03410	0.3
84.08138	0.8
85.02912	0.8
86.09708	0.6
89.55838	0.3
94.04054	1.3
97.02890	0.4
98.97580	0.9
110.07121	0.4
117.03429	0.4
123.04435	2.4
123.06651	0.6
124.04791	1.2
124.07611	1.5
125.07914	0.4
133.02972	0.3
143.00128	0.4
145.02824	1.1
146.03113	0.3
150.07755	100.0
151.08095	0.4
177.05443	2.1
178.05829	1.4
179.03419	2.9
205.05338	0.6
223.06476	0.6
247.06451	0.5
247.11678	0.6
264.12350	1.8
265.07535	3.1
265.12656	3.8
282.11954	1.0
283.08557	2.6
295.11502	24.7
307.08594	2.9
325.09595	0.7
342.30133	0.3
367.10785	0.5
372.89581	0.3
427.13675	7.4
427.18924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16055	1.5
50.39257	1.3
53.44352	1.6
55.05492	3.2
56.05036	14.1
56.07541	1.4
56.96570	7.5
69.75494	9.2
70.06602	13.8
71.04996	3.3
71.95223	1.4
72.08160	11.4
73.03211	1.4
79.92355	1.4
82.84002	1.5
84.04511	52.7
84.08123	2.6
85.02884	2.6
86.09673	5.4
90.03266	1.5
91.05452	1.5
98.20736	1.9
98.97583	10.9
105.06989	2.1
110.02365	5.3
115.08662	1.8
120.08083	5.4
124.99059	2.6
129.10210	2.7
130.05014	98.1
136.07544	5.4
143.00151	3.5
145.02782	4.7
149.00522	2.0
151.07428	2.0
152.07014	4.6
161.01216	2.3
163.03886	2.0
164.06985	5.5
167.00104	1.5
177.05556	10.5
179.03424	13.6
194.00296	3.8
205.05379	14.0
209.02696	9.6
215.13922	1.8
219.02821	2.4
223.06322	8.4
247.06508	7.4
265.07510	39.7
265.12582	2.0
283.08569	47.4
288.08807	1.8
297.03821	1.9
298.10886	2.5
307.05368	3.1
307.08548	44.1
325.09583	12.7
367.10403	7.7
427.13474	100.0
427.17899	7.2
428.13776	3.1
440.78864	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.2
56.05041	52.0
57.03444	1.7
57.07070	0.9
58.06591	2.9
61.01155	1.4
65.00639	1.0
65.32417	0.8
67.05171	1.0
67.05508	9.3
69.07059	3.2
69.85502	3.4
70.06573	0.9
70.89667	0.7
72.08143	0.8
74.02448	78.0
74.06094	4.5
75.02711	31.9
79.05501	7.2
81.07071	9.6
83.08633	1.5
84.04493	0.8
84.08129	1.2
85.02905	1.0
86.09708	1.8
91.05481	4.1
93.07060	8.0
95.08623	8.4
98.20853	1.5
100.04002	1.7
102.05551	12.3
105.07048	4.2
107.08604	4.2
109.10157	2.2
110.06013	1.3
112.07590	1.1
117.06990	1.5
119.08586	2.5
120.04816	1.7
121.03181	1.3
121.10153	2.2
121.58584	0.8
131.01598	2.2
131.08598	1.8
133.10110	2.8
135.11716	1.9
145.10120	2.8
147.11696	2.6
148.04291	2.4
149.02698	18.6
149.13194	1.2
151.07579	0.9
156.06584	1.5
159.11729	1.4
161.13242	1.3
166.05354	100.0
173.13335	1.4
175.11208	3.4
184.07382	3.5
185.13319	1.0
261.22134	1.3
269.15268	0.9
274.11951	0.8
288.23227	1.5
295.81912	0.9
299.23972	0.9
316.26431	9.2
325.21722	1.0
331.15759	1.2
338.83270	0.8
350.51135	0.9
362.26929	70.7
363.27072	1.3
381.27908	1.4
396.95071	0.9
408.25577	1.8
426.26633	1.8
426.33981	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01849	0.8
55.05503	1.6
56.05026	0.9
57.03418	0.6
61.02918	0.9
69.03432	3.4
69.07056	0.8
70.06593	7.2
70.35785	2.2
71.04964	0.7
72.08138	2.6
75.51803	0.5
76.77233	0.6
79.05529	0.9
81.03429	1.3
81.07059	0.9
84.04520	4.0
84.08127	2.1
85.02899	7.1
86.09691	2.8
87.04463	1.3
88.04010	0.7
89.03928	1.2
91.03954	0.9
91.05518	0.9
93.07010	0.6
96.08138	1.8
97.02905	2.8
98.97586	1.2
105.03390	0.7
109.02897	1.3
110.07119	0.8
114.09173	0.7
115.08656	0.6
117.03373	3.9
120.08104	1.2
123.04432	60.8
123.06815	1.4
124.07596	23.2
127.03899	1.8
128.41306	0.6
129.10243	1.3
130.05031	5.3
131.11841	1.7
136.07617	1.0
137.05986	1.0
141.07880	0.6
142.08632	11.0
145.02856	16.1
145.04941	1.2
149.05995	1.7
150.07765	9.5
163.03911	1.3
164.07007	0.6
174.05449	0.7
177.05481	36.4
179.03391	1.9
187.07500	0.6
192.06561	9.2
194.00317	3.3
209.02676	9.1
211.70358	0.7
218.08279	0.9
219.08032	0.7
236.12852	0.6
246.07538	0.7
246.11264	16.5
264.12314	100.0
265.07382	0.9
265.12662	1.6
279.10184	0.7
283.08496	0.8
295.11499	2.7
307.08331	1.7
311.12997	0.9
408.16693	0.8
420.08102	0.6
426.17343	9.6
427.13480	1.6
447.04468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.0
55.05504	2.7
56.05039	4.5
60.04513	1.2
61.02917	1.3
67.05519	1.6
69.03424	4.0
69.07072	1.7
70.06597	23.6
70.56376	1.3
70.56755	1.4
71.06944	0.9
72.08154	7.1
73.06567	0.8
74.06092	1.4
78.86088	0.8
81.03422	2.4
81.07088	1.1
82.06612	0.7
84.04510	13.1
84.08146	8.4
85.02912	9.8
86.06077	1.1
86.09708	11.1
87.04508	1.1
89.03913	2.0
91.05475	1.4
93.07084	1.4
95.04961	0.9
95.08580	1.1
96.08125	1.1
97.02914	3.8
98.06071	1.1
98.97564	1.2
99.04459	1.0
101.94584	0.7
102.05564	1.1
103.05484	0.9
107.04913	1.1
110.02421	1.1
110.07191	4.5
111.04431	0.9
112.08772	0.9
114.09174	1.0
115.08781	0.8
116.07101	1.8
117.03387	13.6
119.04913	1.3
120.08070	5.1
122.06120	1.0
123.04431	54.9
123.06809	1.8
124.07599	20.8
127.03976	1.9
129.10239	4.4
130.05009	16.1
135.04436	1.6
136.07594	1.1
137.05920	1.1
142.08633	9.3
145.02853	34.6
145.04883	1.2
147.11295	0.9
149.04939	0.8
149.05962	4.6
150.07823	3.7
156.07655	1.8
163.03929	4.4
174.05528	1.2
177.05482	84.2
178.05859	1.5
179.03430	5.4
187.07542	2.2
192.06549	19.7
194.00360	3.3
197.12794	0.8
200.99992	0.7
204.06581	2.6
205.05359	1.1
209.02692	8.0
213.12346	1.4
215.13927	1.0
222.12801	0.7
223.06474	1.1
246.11285	18.1
264.12323	100.0
265.07544	3.5
283.08502	3.4
295.11594	1.6
296.10403	1.0
297.03201	0.9
307.08453	2.5
311.12796	2.8
321.46854	0.8
325.09631	1.0
426.17297	13.8
426.22824	1.3
427.13696	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	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35754	0.3
53.11122	0.3
55.01889	0.4
55.05514	0.6
56.05042	0.4
57.03421	0.4
61.02920	1.0
63.39574	0.3
65.65000	0.3
65.89142	0.3
69.03439	2.4
70.06596	15.7
71.04996	0.5
71.50967	0.4
71.51422	0.3
72.08160	6.3
73.08491	1.2
77.32836	0.3
79.05477	0.8
81.03428	0.8
81.07058	0.7
84.04484	0.9
84.08147	1.2
85.02435	0.6
85.02909	6.7
86.09704	2.0
87.04463	0.4
88.04028	0.3
89.03912	2.7
91.03889	0.3
91.05479	0.6
93.07078	0.3
93.77035	0.3
95.04984	0.4
97.02893	2.6
98.06044	0.4
98.97585	0.4
107.04946	1.8
107.08617	0.4
109.06524	1.1
110.07165	0.9
117.03388	5.1
118.31384	0.4
120.08092	1.2
123.04504	0.8
127.03890	1.4
129.10136	0.5
130.05031	1.6
130.06552	1.2
131.06876	0.5
135.04419	9.4
136.06224	0.4
136.07579	0.5
137.05984	8.7
138.06323	3.3
145.02855	10.9
145.04948	1.0
149.05965	0.8
151.11214	0.6
161.05975	0.4
163.03906	100.0
164.04330	0.6
165.12779	0.3
177.05487	5.2
187.03902	0.9
188.04306	0.4
201.05428	0.7
202.05794	0.6
211.13261	0.8
229.14317	0.5
230.04523	0.7
231.04868	0.6
232.09654	1.6
244.06024	1.0
245.06401	1.3
250.05832	0.8
251.06766	0.4
264.12186	1.8
265.43073	0.4
266.09036	0.4
278.05234	0.4
279.13312	0.4
282.08414	1.0
293.18097	0.4
295.05597	0.4
309.07504	1.0
310.07928	1.6
325.09158	2.7
338.07336	1.0
367.09860	0.6
409.14774	10.1
426.17368	14.2
427.15509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77057	1.6
53.03929	2.3
55.05511	19.7
55.37165	1.8
56.96569	7.2
57.07077	7.5
58.06627	2.0
60.08163	4.7
67.05508	27.4
69.07070	38.1
70.07420	2.0
70.81913	2.4
70.82248	3.8
71.02734	1.9
71.07384	2.7
76.80274	2.0
79.05494	15.9
81.07065	78.6
82.07391	6.6
83.08615	15.4
86.09710	24.4
91.05481	16.6
93.07052	38.1
95.05015	2.1
95.08612	100.0
96.08951	2.2
97.06541	2.2
97.10164	10.6
98.97569	2.2
98.98498	4.1
104.10739	6.2
105.07036	35.9
107.08595	61.5
108.08927	1.7
109.10164	68.0
110.10533	2.4
111.11710	2.7
112.30832	1.8
117.07022	3.0
119.08582	34.8
121.10155	48.7
123.08120	2.5
123.11704	27.9
125.00010	18.6
125.09628	3.4
129.52486	6.0
131.08594	6.0
133.10136	33.5
135.11697	35.0
137.13283	18.2
138.53003	5.2
139.11223	1.9
141.55963	1.7
143.08521	2.0
145.10168	11.0
147.11699	28.5
149.01149	2.1
149.13268	30.4
151.14835	2.7
157.10165	3.6
157.53810	2.3
159.11716	10.6
160.99408	1.7
161.05945	3.5
161.13284	23.6
162.06372	2.7
163.14844	17.9
164.07120	2.2
165.07417	2.8
165.12755	1.8
173.13292	4.7
175.14864	17.7
177.16383	17.2
179.14391	2.0
181.02560	2.8
184.07346	55.9
187.07477	2.2
187.14833	5.0
189.16374	16.8
191.17957	85.9
199.06429	2.4
199.14787	3.4
201.16426	8.1
203.17982	28.3
205.15970	2.3
205.19550	28.9
207.17484	3.1
213.16414	2.3
215.17972	13.9
217.07556	2.5
217.16171	2.0
217.19537	50.8
221.19073	5.7
229.19550	6.9
231.21114	4.8
233.19038	11.0
235.20584	21.8
237.04263	1.8
240.10027	10.0
243.21117	2.9
245.22765	7.0
247.20607	5.1
257.22598	4.4
278.63876	9.9
279.14059	5.4
309.82532	1.9
317.17764	11.5
328.24863	3.3
331.15839	9.3
332.15640	1.8
335.19016	2.0
349.16867	30.3
350.17288	5.5
372.18521	5.6
397.38477	2.4
407.32245	2.6
407.36761	7.8
415.84860	1.9
425.21735	3.6
425.33179	9.2
425.38290	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78460	2.5
53.03938	3.2
55.05517	15.3
57.03434	5.5
57.07083	16.7
59.09200	2.4
67.05515	22.3
69.07068	32.4
71.08652	12.4
71.53251	2.3
79.05506	13.1
81.07063	59.0
83.08620	14.8
83.92743	2.4
85.10180	5.4
87.04502	2.7
89.06041	3.9
91.05479	14.9
93.07042	41.8
95.04987	2.8
95.08617	100.0
97.06536	3.8
97.10170	11.4
101.10864	2.1
104.46994	2.2
105.07040	32.7
107.08607	59.1
109.10161	69.4
111.11742	4.5
113.00029	19.1
117.19888	2.6
119.08585	37.9
121.10165	48.2
123.08032	2.9
123.11720	32.4
125.09650	3.8
131.08600	9.9
133.10133	32.6
135.11707	36.8
137.13263	12.2
145.10109	11.6
147.11691	22.8
149.13268	48.7
151.14911	3.8
159.11659	11.5
161.13286	24.1
163.14842	29.8
165.12784	3.3
169.02634	21.1
173.13272	6.4
175.14839	19.2
177.16382	23.1
179.14348	8.9
179.17935	2.5
187.14838	10.8
189.16434	23.9
191.17972	56.5
197.13203	2.9
201.16467	7.7
203.17964	25.3
205.19571	16.8
207.17424	3.8
215.17955	15.4
217.19510	48.9
219.21233	2.6
221.18916	5.1
229.19487	14.9
231.21159	7.2
233.18983	7.9
235.20557	10.4
237.85445	2.5
243.21165	3.6
245.22739	6.6
247.20622	5.3
247.24420	2.8
257.22705	3.3
313.27362	47.6
324.64594	2.5
365.19360	3.0
397.38672	2.8
407.37329	11.5
425.21429	21.7
425.28778	37.6
425.38245	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	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03919	1.5
55.05509	8.7
57.07065	6.1
67.05511	20.6
69.07071	24.2
69.56282	8.9
78.53262	1.4
79.05489	8.3
81.07056	35.3
83.08617	4.5
89.06007	2.6
91.05482	6.2
93.07043	21.0
95.08607	66.0
97.10153	7.4
105.07032	16.9
105.61523	1.5
107.08597	40.1
109.10159	57.6
111.08067	4.1
111.11711	6.2
117.07041	1.7
119.06079	1.6
119.07800	2.9
119.08582	26.3
121.10142	36.5
121.10947	3.1
123.08075	2.6
123.11709	25.3
131.08549	4.7
132.54385	1.6
133.10132	22.4
135.11697	27.6
137.09608	1.7
137.13254	12.8
142.38011	1.7
142.90215	2.0
145.10120	8.0
147.11674	15.9
149.13243	13.8
151.14847	3.7
159.11700	9.4
161.13246	16.2
163.14827	14.7
166.05472	1.7
171.11763	1.7
173.13275	4.6
175.14824	8.2
177.16379	9.3
179.14352	4.2
185.13100	2.6
187.14810	6.1
189.16397	13.4
191.17963	20.0
198.77069	1.7
199.14861	2.1
201.16412	7.7
203.17923	12.0
205.19518	12.1
207.17445	6.6
215.17984	8.7
217.19464	11.4
219.21036	2.5
229.19614	4.6
231.21060	7.1
233.19029	3.1
243.21144	5.5
245.22716	15.7
247.20522	13.2
255.21204	2.3
257.22656	4.7
259.24008	3.4
269.22739	4.4
271.24182	8.0
285.25778	3.8
315.26959	1.9
407.36719	26.6
425.21970	2.3
425.37808	100.0
426.38281	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03929	3.1
55.05512	12.7
57.07069	7.9
59.44649	1.8
67.05508	23.6
69.07072	25.7
71.44499	3.2
77.93113	2.2
79.05481	12.9
81.07054	51.6
83.08615	12.5
84.36626	1.8
86.09725	2.0
91.05473	10.3
93.07043	32.4
95.08609	82.1
96.08887	1.7
97.10175	5.0
98.17205	1.8
105.07028	17.7
107.08597	55.6
109.06522	2.0
109.10155	58.1
111.08125	2.9
111.11715	7.7
119.08587	31.8
121.10148	56.7
123.11717	37.4
125.13243	3.7
131.08583	8.2
133.10133	33.9
135.11681	34.2
135.12599	3.1
137.13271	16.6
145.10112	10.5
147.11682	24.7
149.13263	22.3
151.14793	2.4
157.10146	3.7
159.11719	14.4
161.13297	15.3
163.14830	28.7
173.13269	11.1
175.14819	17.9
177.16426	12.7
179.14337	3.1
179.18015	4.2
185.13246	2.6
187.14796	10.6
189.16368	18.1
189.34468	1.9
191.17905	11.1
193.15903	3.1
199.14766	2.0
201.16393	8.6
203.18039	9.6
205.19572	9.7
207.17429	7.2
213.16463	3.2
215.17999	5.2
217.19563	17.0
217.56076	1.9
219.21124	2.4
229.19574	7.7
231.21049	10.6
233.19092	4.4
241.19562	2.6
243.21027	14.7
245.22635	9.9
255.21078	5.2
257.22659	9.9
259.24289	6.3
261.22119	4.5
269.22604	13.0
271.24213	12.5
273.25784	3.0
285.25711	8.6
287.23724	3.7
297.25717	2.7
311.27304	7.8
329.28415	9.9
365.32089	2.3
407.36716	34.7
407.41614	3.6
425.21783	4.7
425.37759	100.0
426.38419	4.1
433.19693	1.9
437.71945	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03960	3.2
55.05517	22.4
57.07064	15.2
67.05509	32.7
69.07073	56.2
69.38706	25.1
71.08626	4.7
79.05495	22.1
81.07059	58.6
83.08624	26.3
85.10186	4.8
88.07647	3.3
89.06038	3.3
91.05476	19.7
93.07060	40.8
94.37003	3.7
95.08608	100.0
97.06435	3.7
97.10159	11.1
98.21589	6.1
105.07028	40.0
107.08595	71.7
109.06535	5.6
109.10162	75.6
111.11695	6.4
113.00014	10.2
117.07056	5.2
119.08580	62.0
119.73708	3.6
121.10151	64.3
123.08038	4.1
123.11710	27.2
131.08545	13.3
133.10138	83.0
135.11707	65.7
137.13239	18.6
143.08559	4.7
145.10118	12.2
147.11708	37.2
149.13268	16.8
155.08675	3.3
157.10092	6.9
159.11707	18.2
161.13280	35.2
163.14838	29.2
163.75813	3.6
169.02579	11.3
171.11687	3.4
173.13264	14.3
175.14778	18.5
177.16403	18.3
179.14328	6.4
185.13239	4.2
187.14792	12.4
189.16335	19.3
191.17957	35.4
197.13164	3.5
199.14882	4.8
201.16377	8.7
203.17963	29.6
205.19582	5.2
207.17459	8.8
212.66293	3.6
213.16435	4.6
215.17865	10.8
217.19472	32.1
229.19470	5.6
231.20970	3.4
240.15506	4.3
241.19696	3.1
245.22638	7.3
269.22659	11.4
271.24347	5.7
287.23737	9.6
297.25742	4.4
313.27686	4.1
355.29880	4.3
407.36984	27.8
425.21243	14.5
425.33691	30.3
425.37817	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.3
55.01872	7.3
55.05517	23.4
57.03440	4.8
57.07073	9.1
65.78577	3.8
67.05508	75.1
67.54913	3.1
69.03439	28.8
69.06721	4.4
69.07073	33.7
71.04988	5.7
71.08643	6.5
79.05502	41.2
81.03421	37.6
81.07060	100.0
83.04987	10.6
83.08647	16.2
85.02913	11.2
85.06544	4.6
85.10185	5.0
86.09715	4.6
91.05486	41.2
93.07050	59.7
95.04971	9.1
95.07998	3.9
95.08610	79.9
97.02888	9.4
97.10178	10.3
98.20757	9.3
99.04475	7.3
99.08095	5.8
105.07045	43.7
105.83938	3.4
106.66712	3.6
107.04958	7.9
107.08601	46.1
109.02837	5.5
109.06532	6.6
109.10159	35.0
111.04460	11.8
114.84599	3.3
117.07023	14.3
119.08590	36.9
121.06547	5.3
121.10143	32.1
123.04468	5.1
123.08098	8.1
123.11702	13.7
127.03915	7.1
129.05496	6.5
129.07013	7.5
131.08598	24.0
133.10149	31.9
135.08064	6.5
135.11670	20.9
137.13280	10.0
137.97647	3.3
139.11128	4.6
143.08595	8.7
145.06517	3.7
145.10135	26.9
147.11694	21.9
149.13255	13.6
151.14861	3.5
155.08498	3.5
157.10130	7.1
159.11723	15.8
161.13316	19.7
163.14819	8.7
169.10083	7.1
171.08044	5.3
171.11761	4.7
173.13278	11.0
175.11238	3.8
175.14857	13.4
177.16371	6.6
183.11734	4.3
184.07324	4.3
185.13315	6.4
187.14868	8.3
187.22299	3.5
189.16426	8.7
191.17946	7.4
199.14761	5.8
201.16408	8.3
203.14359	5.3
205.15878	5.5
211.14832	4.8
213.16307	4.8
215.18089	6.5
217.15788	6.3
217.19478	4.8
243.20998	3.6
245.22722	5.9
259.20309	3.7
261.22217	8.0
263.23697	6.7
273.22134	3.7
279.23199	3.8
287.23566	6.4
291.23193	5.1
293.24957	9.0
303.23318	5.2
305.24866	8.3
321.24228	5.0
329.24728	4.7
343.26437	4.3
353.24731	4.7
371.25781	31.1
389.26819	23.4
407.28024	20.6
425.21408	4.2
425.29221	5.9
425.34607	26.4
432.30695	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09616	2.6
51.21321	2.8
53.03952	6.4
55.01866	10.9
55.05516	28.6
57.03435	7.3
57.07073	12.3
59.37788	2.8
65.03970	3.3
65.85606	2.8
67.05145	4.6
67.05506	93.6
69.03442	27.6
69.07072	35.7
69.55453	4.6
69.55764	19.6
70.31905	3.0
71.01370	3.5
71.04993	8.5
71.08621	5.1
73.02926	6.6
79.05493	37.9
81.03416	31.3
81.07059	100.0
83.05008	6.5
83.08620	23.8
85.02901	10.1
85.06536	4.1
87.04459	4.0
91.05483	39.8
93.07054	45.0
95.04968	9.6
95.08607	71.1
97.02895	78.2
97.06509	5.1
97.10167	12.5
98.06944	3.0
98.20766	5.5
99.04474	36.8
99.08111	6.5
105.07035	28.9
107.04984	8.1
107.08595	27.1
109.02879	11.3
109.06529	5.4
109.10137	30.6
111.04441	7.2
111.08144	3.0
111.11732	3.0
115.03950	3.7
117.07009	10.0
119.08582	22.2
121.06519	5.0
121.10139	26.8
123.11723	18.6
125.09600	3.6
127.03936	22.1
129.07011	5.3
129.91409	3.8
131.08604	20.6
133.06522	5.2
133.10106	19.4
135.11757	14.7
137.13260	8.3
143.08580	4.7
145.04948	10.7
145.10152	12.3
147.08066	4.4
147.11711	12.7
149.13274	9.9
151.11287	3.5
153.12715	3.6
155.08597	4.8
157.10123	5.4
159.11696	6.9
161.13300	13.2
163.11293	4.3
163.14854	8.5
165.12698	4.2
173.13223	6.8
175.14841	10.3
177.16290	4.0
185.13292	5.3
187.14801	6.2
189.12706	3.5
189.16451	4.0
193.15746	3.3
196.50482	2.8
199.14822	3.5
201.12823	3.7
207.13817	4.8
215.14357	4.0
245.22711	5.7
261.22226	5.8
263.23715	25.3
279.23129	3.8
293.24673	7.2
305.24664	5.1
325.25256	3.5
353.24768	3.5
359.25500	3.3
371.25885	17.5
389.26904	17.5
394.16589	3.2
407.28040	19.4
407.32770	4.8
425.28766	4.1
425.34149	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	425.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01881	10.8
55.05523	23.2
56.54575	1.8
57.03436	6.0
57.07067	6.5
65.03922	2.5
66.35123	2.0
67.05507	100.0
69.03432	27.9
69.07072	27.4
69.36566	7.8
69.36993	7.3
71.01348	2.5
71.04990	14.6
71.08612	4.7
73.02915	6.2
79.05499	28.1
81.03423	28.9
81.07059	99.8
83.05009	3.5
83.08618	20.2
85.02908	10.6
85.06557	3.4
91.05489	23.2
93.07035	28.2
95.04964	2.5
95.08614	69.0
97.02895	90.1
97.06520	4.6
97.10177	9.9
99.04459	67.5
99.08085	4.4
101.02388	2.3
105.07039	16.0
107.08613	15.6
109.02897	26.6
109.10168	31.8
111.04464	2.6
111.08094	3.1
111.11729	3.9
112.11257	2.7
115.05394	1.8
117.06924	1.8
119.08595	11.9
121.10138	20.5
123.11727	17.9
127.02983	3.4
127.03923	69.2
127.11195	2.3
131.08597	5.4
133.10115	15.7
135.11681	10.0
137.09624	2.6
137.13300	5.7
145.04965	18.0
145.10091	4.0
147.11714	10.1
149.13271	8.2
151.11203	2.7
151.14859	4.2
153.12743	2.0
159.11674	2.8
159.25998	2.2
161.13275	8.7
163.14799	8.9
173.09622	2.1
175.14832	8.3
177.12811	2.3
177.16464	2.8
179.14296	2.1
182.53249	2.0
183.11607	1.9
189.16367	3.4
243.21095	3.2
245.22694	11.5
261.22171	4.9
263.20972	1.5
263.23682	42.3
331.26251	7.3
341.24918	4.4
359.25772	7.2
371.25897	3.6
407.28113	3.1
411.37451	2.4
425.21497	2.6
425.34015	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	425.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79739	2.6
53.03946	5.9
54.43017	2.3
55.01865	6.7
55.05516	29.5
57.03438	7.6
57.07081	20.1
62.64902	2.2
65.03935	4.1
65.90295	2.1
66.93275	2.1
67.05508	86.9
69.03437	28.4
69.07072	40.9
71.01380	2.8
71.04971	6.4
71.08648	11.9
73.02905	4.2
79.05500	44.5
81.03418	44.1
81.07059	100.0
83.04977	9.1
83.08631	21.5
85.02902	13.2
85.06563	3.7
85.10178	3.6
89.06016	3.3
91.05487	41.8
93.07049	60.3
95.04974	15.2
95.08614	84.4
97.02885	16.0
97.06541	11.5
97.10175	16.3
99.04436	6.8
99.08117	3.0
103.05479	4.0
103.27650	2.2
105.07032	43.2
107.04947	10.9
107.08601	42.9
109.02845	6.7
109.06527	8.2
109.10152	38.4
111.04455	9.0
111.08042	5.9
111.11725	5.0
113.09679	4.3
117.07013	17.6
119.08596	34.6
121.06486	9.2
121.10141	32.5
123.04424	8.1
123.08065	5.3
123.11726	15.9
125.05956	2.5
125.09605	5.8
127.03902	9.6
127.11177	3.0
129.05461	4.1
129.06987	11.7
131.08601	28.1
133.06482	4.2
133.08638	2.9
133.10130	26.6
135.08081	9.1
135.11699	24.9
137.05978	3.7
137.09607	4.5
137.13251	12.9
139.11174	5.6
141.06985	4.1
143.08565	12.8
145.06474	5.5
145.10100	15.1
147.08064	6.2
147.11713	23.3
149.09589	3.1
149.13269	14.7
151.11194	6.0
151.14880	2.4
153.12712	2.7
155.08578	4.9
157.06494	3.1
157.10129	10.9
159.08078	4.3
159.11702	15.3
161.09605	4.4
161.13284	13.9
163.07530	2.7
163.11256	4.5
163.14783	11.2
165.12764	5.1
167.08548	3.3
167.14302	2.8
169.10109	6.1
171.07994	2.8
171.11700	7.3
173.09705	4.9
173.13203	11.3
175.11186	3.9
175.14839	10.1
177.11194	2.5
177.12714	4.6
177.16418	4.8
179.14291	3.3
181.10248	3.1
181.12207	2.4
183.11711	4.4
185.09616	2.6
185.13260	7.1
187.14818	8.3
188.41978	3.0
189.12820	3.6
189.16360	7.9
191.14308	5.0
191.17998	6.9
195.13768	3.1
199.14838	5.2
201.12660	2.7
201.16406	9.2
203.14360	8.3
203.18068	3.3
205.15857	3.7
207.13806	7.3
211.14825	2.8
213.12816	2.4
215.14348	3.5
215.17949	2.8
217.15984	3.5
217.19557	4.5
219.17479	3.5
225.16454	4.2
227.17986	3.0
229.15842	3.4
235.16881	3.9
243.17424	2.8
245.22717	3.8
261.22171	8.6
263.23718	9.9
275.23642	4.3
279.23364	4.8
285.21866	2.4
287.23831	2.9
289.17984	5.6
289.21307	2.4
291.23178	7.0
293.24835	14.9
303.23251	8.5
305.24692	7.9
315.01465	2.8
317.24704	6.8
321.24380	6.9
329.24738	6.0
343.26309	7.3
347.25769	2.7
353.24844	11.3
361.27634	2.4
371.25800	34.2
389.26788	36.6
407.28052	30.5
407.32932	5.0
408.33954	3.9
425.21729	3.7
425.28992	6.3
425.33682	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05500	1.8
53.03939	5.6
55.01866	8.6
55.05515	33.9
56.72762	2.1
57.03428	5.3
57.07066	9.1
64.03668	2.0
65.03941	4.2
67.05509	88.4
68.32825	2.1
69.03434	33.2
69.07075	32.5
69.30578	10.4
69.31000	6.7
71.01365	2.7
71.04991	6.5
71.08629	6.9
73.02891	4.3
79.05075	3.2
79.05500	45.4
80.69476	1.9
81.02994	3.9
81.03426	44.3
81.06598	5.2
81.07060	100.0
83.04993	12.2
83.08620	23.6
85.02914	18.9
85.06530	5.8
91.05489	39.5
91.06034	4.4
93.06484	3.8
93.07051	53.1
95.04965	11.9
95.08614	81.7
97.02901	10.7
97.06515	8.0
97.10187	11.6
99.04465	9.9
99.08079	3.2
103.03957	4.4
105.06393	3.9
105.07035	38.6
107.04982	5.9
107.08591	35.3
109.02893	3.2
109.06519	7.2
109.10162	34.3
111.04452	7.8
111.08086	4.9
111.11720	4.3
117.05449	3.1
117.07045	14.2
119.08585	29.2
121.06506	9.8
121.10136	28.2
123.04430	3.8
123.08101	5.7
123.11729	15.2
125.09620	3.9
127.03923	8.0
127.11158	3.2
129.05464	4.1
129.07001	7.8
131.08565	23.9
133.06502	3.9
133.10133	22.3
135.08029	4.8
135.11708	18.9
137.09618	5.2
137.13274	13.4
139.11198	2.9
143.08578	9.9
145.05006	4.4
145.06395	2.7
145.10118	16.9
147.08032	6.6
147.11676	18.0
149.09613	2.3
149.13248	10.7
151.07590	2.9
151.11172	4.6
151.14827	3.6
155.08557	4.9
157.10132	9.5
159.08012	4.3
159.11742	13.0
159.12837	2.7
161.09612	6.6
161.13251	15.1
163.11235	3.6
163.14812	7.4
165.12703	4.9
169.10124	5.5
171.08102	3.0
171.11694	7.9
173.13223	10.6
175.11098	2.5
175.14848	9.3
177.12770	2.5
177.16400	6.8
179.14302	2.6
183.11520	4.0
183.39442	2.6
185.13290	7.4
187.11258	3.0
187.14845	7.3
189.12817	2.9
189.16412	5.0
191.14375	4.1
195.13829	2.9
199.14847	7.6
201.16435	9.1
203.14375	4.6
205.15866	4.6
212.40445	2.3
213.16492	3.6
215.14241	3.1
217.15834	4.4
219.13965	2.7
219.17436	4.8
231.17484	4.0
245.22525	5.2
249.47421	2.3
257.22729	2.6
261.22131	7.0
263.23642	10.5
273.22467	3.1
275.23648	4.3
277.21765	2.6
279.23145	3.8
287.23737	3.8
291.20203	2.3
291.23108	12.0
293.24844	6.4
303.23218	5.1
305.24832	12.9
315.23285	3.4
317.24634	8.0
321.24301	6.3
329.24689	5.5
333.24246	4.2
343.26248	8.9
347.25726	6.8
353.24652	6.5
359.25909	3.3
371.25800	35.7
377.27124	2.7
384.14609	3.5
389.26941	27.4
407.27875	27.0
407.33105	5.6
425.29099	5.8
425.34079	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	425.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05095	2.4
55.05511	9.4
55.48579	2.2
57.03450	12.4
57.07077	41.4
60.28333	2.1
60.88512	2.1
65.82365	2.4
65.82735	2.6
67.05514	20.1
69.07081	19.4
71.08649	22.1
71.52613	4.7
79.05483	6.8
81.06645	3.6
81.07068	30.3
83.08624	16.6
85.10191	12.2
89.06037	4.3
91.05495	5.8
93.07058	16.6
95.08617	42.6
97.10178	7.3
105.07029	12.2
107.08613	19.5
109.10156	24.4
113.00022	49.7
119.08611	13.7
121.10152	11.7
123.11729	11.7
131.08528	4.4
133.10150	9.1
135.11700	12.6
137.13214	4.4
147.11714	5.8
149.13297	12.5
157.10217	3.5
159.11720	6.4
161.13271	9.1
163.14819	4.7
169.02632	48.2
174.76634	2.4
175.14905	4.6
177.16429	4.5
179.14409	2.7
184.07437	3.4
187.03642	2.9
187.14815	2.8
189.16368	3.5
191.17979	13.7
201.16444	4.4
203.17976	7.3
205.19557	5.3
217.19522	9.4
222.61333	2.7
233.19104	4.1
235.20647	3.5
239.23727	3.0
257.24811	2.8
274.11444	2.4
313.27399	100.0
393.23822	8.0
407.32529	5.0
407.37231	4.0
425.21747	12.8
425.28824	7.1
425.33615	6.9
425.37790	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	425.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01877	3.6
55.05505	10.1
56.96576	2.6
57.03445	3.4
57.07076	3.3
59.05007	3.7
65.03940	3.7
65.10780	2.6
67.05517	26.3
69.03437	15.6
69.07069	8.7
69.64768	15.0
70.06603	17.8
72.08158	7.1
73.02926	2.7
75.04485	4.3
78.50278	2.4
79.05495	22.9
79.49139	2.8
81.03419	6.8
81.07063	48.2
83.04990	3.1
83.08634	5.0
84.04509	2.4
84.08145	9.0
85.02916	8.0
85.06532	5.5
86.09714	11.6
87.00861	3.1
87.04466	5.7
89.03918	10.7
91.05492	38.9
93.07051	53.7
95.04963	16.8
95.08613	64.4
97.02898	22.2
97.06539	14.6
97.10159	2.9
98.97609	4.4
99.00797	2.9
100.11304	4.3
103.05505	4.5
105.07039	65.5
107.04940	5.9
107.08614	50.2
109.02907	4.5
109.06548	14.8
109.10191	9.1
110.07191	2.7
111.04450	6.9
111.08076	4.3
114.09147	3.0
114.99300	2.3
117.03376	21.9
117.07043	15.3
119.04920	5.2
119.08588	77.0
120.08125	7.8
121.06516	12.6
121.10163	22.3
123.08102	17.4
123.11690	3.4
123.65700	2.8
125.02367	6.4
125.09634	5.8
127.03915	2.8
129.05481	6.9
129.07010	4.4
129.10254	6.3
129.90381	2.5
130.07796	3.9
131.08582	38.0
132.09344	3.1
133.06516	4.7
133.10136	51.2
135.04451	6.2
135.07016	2.4
135.08066	15.6
135.11702	12.6
137.06006	8.0
137.09647	10.7
142.07784	4.9
143.08595	9.6
145.02856	65.7
145.06529	4.9
145.10138	53.3
147.04382	3.1
147.08040	3.7
147.11702	9.7
149.05972	9.8
149.09683	3.2
151.07535	9.9
151.11189	12.3
155.08574	7.4
157.10184	14.6
158.07289	4.1
158.10829	3.1
159.08058	10.4
159.11699	59.2
161.05965	2.6
161.09630	4.8
161.13286	8.7
163.03897	25.0
163.11272	4.8
163.14798	4.1
167.08591	3.2
171.11699	6.0
172.08974	5.6
172.12392	3.1
173.09677	21.2
173.13242	9.0
175.06059	30.8
175.11143	3.1
177.05479	100.0
177.09007	4.4
177.12753	16.9
177.16426	3.6
178.05850	5.3
181.05055	3.0
182.10942	4.2
185.13330	3.4
187.11214	9.7
187.14835	77.0
189.16306	3.2
193.07190	4.3
197.13289	12.3
205.15834	22.6
210.15007	3.1
215.07083	3.2
215.14319	65.6
216.14561	2.5
217.08755	3.0
233.15350	28.4
260.37985	2.8
261.07697	8.7
266.10260	5.2
303.08759	3.3
407.20547	3.5
425.16867	4.1
425.21393	13.6
425.26599	5.4
425.34445	6.3
443.21594	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	425.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61649	0.6
51.40938	0.7
53.03937	1.0
55.01864	1.5
55.05508	3.6
56.05033	2.2
57.03432	1.3
60.04519	1.1
65.03915	0.9
67.05508	3.6
69.03431	4.9
69.04562	5.8
69.07060	2.7
70.06596	17.6
71.04982	2.4
71.51829	0.6
71.52267	0.8
72.08154	5.9
74.06075	1.3
75.05592	0.8
75.11310	0.6
79.05493	4.2
80.71882	0.7
81.03437	1.5
81.07063	7.8
83.04964	1.7
83.06100	1.6
83.08617	2.3
84.04491	4.5
84.08152	17.3
84.98518	0.8
85.02909	3.8
85.06535	1.7
86.09711	9.4
87.04431	0.9
88.04018	1.3
89.03941	1.2
91.05479	7.9
93.07050	7.6
94.06548	0.8
95.04955	3.0
95.08601	8.7
97.02895	4.1
97.06535	1.5
98.97601	1.3
99.04436	0.8
100.11259	1.8
101.02375	0.7
101.07159	5.0
102.05526	0.9
103.05465	3.0
105.07039	13.7
107.04962	1.3
107.08597	7.1
109.06527	3.6
109.10148	1.9
110.07174	3.3
111.04436	2.1
112.03964	1.2
115.03889	0.9
115.08752	0.8
116.07111	0.9
117.03349	1.5
117.07010	2.3
119.04945	1.4
119.08573	12.0
120.08110	18.2
121.06506	2.3
121.08398	0.9
121.10151	2.6
123.04387	1.1
123.08039	3.1
124.76981	0.7
125.05972	1.4
127.03909	1.0
127.12305	1.5
129.06958	1.3
129.10249	5.5
130.06529	100.0
131.04912	1.1
131.08591	5.3
132.04453	20.0
132.08078	1.6
133.10132	6.8
134.03566	0.8
134.24429	0.6
135.04405	0.9
135.08078	2.2
135.11703	1.9
136.07562	2.4
137.06010	3.5
137.09633	0.9
142.06650	0.8
142.07765	0.9
143.08560	2.2
144.08101	1.0
145.02820	3.4
145.10133	9.7
146.06030	4.3
147.04422	1.7
147.11702	6.6
149.05980	1.1
151.11200	1.2
155.06038	3.1
155.08575	1.2
156.04454	0.8
157.07620	12.3
157.10101	3.4
158.06024	12.6
159.08029	1.5
159.09200	3.1
159.11688	7.1
161.09535	1.2
161.13240	1.5
163.03864	1.3
163.11201	3.2
163.14735	0.8
166.08636	3.2
167.07047	1.9
169.07568	3.4
169.10027	0.9
171.11554	0.9
173.07161	6.0
173.09605	3.5
173.13258	3.3
174.05606	3.3
175.06122	4.0
175.08676	8.6
175.11017	0.9
177.05457	7.4
177.09012	1.2
177.12752	2.1
181.07655	3.5
185.07124	4.5
185.13306	2.2
186.05562	1.7
187.08662	2.4
187.11249	2.0
187.13153	1.1
187.14795	8.7
188.07094	1.6
191.10654	1.1
193.07082	0.8
197.07063	6.3
197.13316	1.8
199.08711	3.0
203.08160	6.4
205.09785	1.0
205.15857	3.4
210.15068	0.7
213.06599	1.0
214.09750	2.2
215.08139	2.9
215.10777	0.8
215.14313	6.8
216.11385	2.0
225.06537	7.5
228.13173	1.1
232.10822	14.9
233.09271	0.8
233.11742	1.3
233.15424	2.5
242.09247	3.8
243.07672	38.0
245.15407	1.9
260.10309	16.1
262.11725	1.6
263.16745	1.0
309.07773	1.2
317.91788	0.7
350.14890	3.9
350.97247	0.7
368.16022	0.8
390.14319	5.1
407.16849	4.1
408.14532	1.5
425.17560	10.1
425.30432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
55.05506	1.7
56.05026	0.7
57.37118	0.5
60.70086	0.4
62.48717	0.6
64.73917	0.5
70.06599	4.3
70.18713	1.0
70.19096	1.0
72.08157	34.0
73.11190	0.5
79.05485	0.8
79.44811	0.4
81.07043	1.6
84.04501	0.8
84.08146	2.1
85.02901	1.0
86.09705	1.6
91.05501	0.8
94.04185	1.4
98.06066	1.6
105.07034	0.8
107.04938	0.8
109.06515	7.2
110.07153	1.1
116.07139	0.5
120.08089	0.9
122.03635	2.9
123.04441	8.5
129.10249	0.8
130.06531	6.6
131.04936	1.2
132.04453	1.2
137.05978	73.3
143.04955	0.6
145.02879	0.7
145.06532	0.5
147.04419	1.3
151.03914	1.2
156.04362	0.5
157.07652	3.1
158.05992	0.9
159.04437	1.1
161.06020	0.9
163.03929	2.1
164.07065	0.7
169.07610	0.6
175.03947	1.3
177.05540	2.3
177.06975	0.7
178.70261	0.5
184.03981	2.1
185.07147	1.0
186.03151	0.5
186.05524	0.7
187.03842	7.9
189.05493	2.9
191.06970	0.8
195.08026	0.8
201.05441	8.9
203.03404	0.8
205.06477	3.1
212.03448	2.5
214.05008	1.0
216.06387	0.6
217.05049	0.6
218.08041	0.6
221.05998	2.4
222.06851	0.5
223.07550	3.2
225.06644	0.7
226.04970	0.5
229.03659	2.4
230.04512	6.8
232.10860	0.7
233.06023	2.1
235.07585	1.8
237.09105	1.7
238.06288	0.6
242.04523	4.6
243.07703	2.2
244.06062	18.9
248.04739	0.7
249.05551	4.3
249.07901	0.8
250.06274	2.7
250.08592	0.9
251.07011	4.2
252.07738	0.6
253.08658	2.1
256.06134	2.0
260.10223	1.1
263.07077	2.0
265.08578	1.7
266.05756	1.9
268.07260	0.8
277.04959	3.8
278.05585	1.1
278.08325	0.7
279.06439	0.8
281.08084	6.6
282.08725	1.0
283.09570	1.7
284.09259	1.7
288.06552	0.6
288.12714	0.5
291.06534	1.4
292.09686	0.9
293.08130	2.2
294.05096	3.2
295.09000	0.8
307.05704	0.6
309.07568	12.8
309.11139	0.8
311.09143	1.5
322.04764	1.3
336.08630	0.9
337.07132	7.1
338.10315	1.1
339.08606	1.0
350.15143	1.1
354.09769	1.0
366.09824	2.7
390.13501	1.8
407.16992	0.8
408.14426	59.1
409.14966	1.3
425.17075	100.0
426.17554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93124	0.7
69.03403	1.0
70.47449	1.4
70.47784	1.2
72.08163	1.2
82.99814	3.4
84.08133	1.7
85.02897	1.1
94.99838	0.8
95.36419	0.6
97.02873	1.1
101.00890	21.7
109.02860	1.0
113.00896	4.5
115.02465	0.7
118.08685	2.0
119.01930	20.1
125.00791	0.7
127.02438	5.0
131.01915	8.0
136.07556	1.2
136.57196	0.6
137.02969	1.5
137.05972	1.5
139.02380	1.4
143.01903	42.9
144.01947	0.9
145.03473	10.8
147.01440	0.9
155.01892	21.3
156.04222	1.6
157.03481	7.9
161.02966	46.6
167.01901	12.4
169.03497	4.9
171.05049	2.4
173.02969	24.0
175.04510	1.9
179.01878	5.3
181.03461	1.1
184.04599	0.8
185.02965	36.3
187.04492	6.0
191.03983	3.5
195.05074	2.2
197.02957	10.6
199.04536	0.8
203.04027	15.1
209.02928	1.2
213.06105	0.7
215.03987	6.6
221.05096	3.5
227.03989	11.8
239.06110	1.5
245.05084	100.0
246.05347	1.3
257.05127	5.9
263.06140	29.0
266.92795	0.8
275.06097	12.9
293.07013	3.5
299.06027	1.0
305.07172	25.0
317.07126	0.9
335.08286	3.9
339.09210	3.7
357.10083	1.8
365.09290	8.9
381.11618	1.8
383.10327	2.1
425.05685	0.8
425.11102	15.4
425.15952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1056
Annotation	HPF
Peak:m/z	Relative Intensity
54.14358	0.5
55.30013	0.4
56.96564	0.6
58.56068	0.5
64.56770	0.5
67.14243	0.5
69.03426	0.9
69.41824	3.0
70.06610	4.0
70.06940	0.9
72.08149	1.7
84.04501	1.3
84.08142	2.1
85.02926	1.0
86.09727	2.6
90.05067	0.7
91.05458	0.9
97.02893	0.7
98.97575	1.0
109.02888	0.6
110.02427	0.6
110.07172	2.2
116.07102	0.9
120.08121	1.1
124.37017	0.5
129.10185	0.7
136.07602	0.9
137.05977	1.6
145.02785	0.9
155.02000	0.7
163.03937	0.4
164.07022	0.5
167.03233	0.6
169.94513	0.6
177.05283	6.2
182.08116	0.7
191.99654	0.5
194.67888	0.6
195.05051	1.1
213.12424	1.0
227.05341	4.1
237.06010	0.5
271.04251	7.3
323.25223	0.5
339.10098	5.2
347.18811	0.5
357.10376	1.0
363.10129	1.0
381.11551	22.6
420.50568	0.6
425.10553	100.0
426.10803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.05504	4.3
57.07074	2.2
60.08150	1.3
61.39730	1.1
62.52219	1.0
64.58289	0.9
67.05511	11.9
69.07074	39.9
70.64719	1.6
70.65061	2.5
79.05492	10.1
81.07060	100.0
83.08616	4.5
86.09703	3.1
91.05491	4.4
93.07063	9.1
95.04981	1.0
95.08611	33.8
96.08935	1.3
97.10194	2.8
98.97599	1.6
104.10712	1.1
105.07029	5.1
107.08607	7.6
109.06572	1.6
109.10164	13.9
111.11723	1.1
115.05518	1.3
118.06551	4.8
119.08585	4.4
121.10160	9.0
122.10464	1.7
123.04442	3.9
123.08082	1.5
123.11741	4.9
124.99987	2.0
129.07005	1.3
133.10150	2.9
135.11700	4.7
137.05974	3.0
137.13287	8.7
141.06989	1.5
143.04961	1.2
145.10114	2.7
146.06041	7.8
147.04379	1.3
147.11668	2.5
149.05995	4.2
149.13266	4.3
155.08597	1.3
157.10065	1.1
159.11671	1.8
161.06001	15.9
161.13316	1.1
163.07556	1.9
163.14865	3.8
164.07091	12.2
166.08749	1.2
171.11549	1.1
173.06006	8.6
175.07599	5.7
175.14865	1.5
176.07077	1.2
177.09111	1.1
179.14297	2.5
180.14696	1.6
181.10020	1.1
184.07391	6.8
187.07556	11.5
189.00874	1.8
189.09087	5.7
189.16406	1.6
191.17853	1.1
199.07584	1.0
201.09160	3.5
203.10661	2.8
203.17909	1.7
213.09099	2.4
215.10747	11.6
225.09126	1.7
227.10716	4.5
229.12262	2.2
241.12206	1.7
255.13829	3.3
257.15344	2.1
269.15378	2.2
278.63898	2.9
283.16928	1.6
317.17859	1.1
331.15857	1.7
332.26785	1.2
349.16943	3.4
406.31567	3.2
407.29398	3.0
424.32166	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.05519	9.0
57.03446	2.4
57.07075	6.9
67.05513	9.7
69.07072	10.9
71.06165	1.8
71.06506	1.5
71.08637	4.6
73.23554	1.1
75.89005	1.2
77.20219	1.1
79.05498	7.9
81.07068	20.2
81.58031	1.3
83.04990	1.9
83.08624	4.3
85.06551	5.3
89.06022	1.7
91.05496	6.6
93.07045	13.5
95.04962	1.7
95.08620	22.2
97.06538	1.3
97.10198	2.6
97.20158	1.3
99.08129	2.3
101.56796	1.5
105.07041	9.9
105.12205	1.2
107.08601	14.3
109.06532	15.9
109.10161	12.6
111.08095	1.6
111.11711	2.0
117.06966	1.3
119.08587	13.5
119.61236	1.4
121.10148	10.8
122.07259	2.3
123.08078	26.2
123.11736	4.7
131.08583	3.7
133.10146	8.8
134.18979	1.3
135.08072	8.1
135.11676	7.1
136.15234	1.3
137.13275	3.9
145.10114	6.3
147.11719	8.3
149.09607	1.7
149.13264	3.5
157.10121	3.2
159.11714	5.8
161.13303	4.3
163.14844	2.6
165.12761	1.9
167.14262	1.5
169.10233	1.8
171.11719	2.5
173.13316	4.0
175.14796	3.2
177.16405	2.7
179.14330	79.1
185.13295	2.9
187.14822	2.9
193.15919	3.3
199.14902	2.2
205.15881	4.6
213.16338	3.0
215.17976	1.4
217.19650	1.4
227.17944	1.3
229.19672	2.4
233.19078	1.7
275.20120	2.3
294.23822	1.4
331.26343	25.6
349.27350	5.1
361.56461	1.3
405.35202	11.1
423.31137	100.0
423.36374	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77659	0.6
53.03941	2.5
55.01864	2.4
55.05514	7.9
57.03426	3.1
57.07065	3.3
59.04992	0.9
64.56923	0.7
65.03931	0.8
66.74238	0.7
67.05508	20.3
69.03439	8.2
69.07072	10.6
69.73283	0.7
69.89532	1.6
69.89927	1.6
71.04997	4.3
71.08629	2.6
73.02919	1.7
76.23295	0.7
79.05072	1.2
79.05499	13.7
80.51022	0.7
81.03425	5.9
81.07055	25.3
83.05006	1.5
83.08620	5.0
85.02911	3.0
85.06541	2.1
91.05476	9.6
93.07049	16.7
95.04976	2.9
95.08611	19.3
97.02899	12.4
97.06528	2.7
97.10194	1.4
98.97587	1.0
99.04460	7.9
99.08073	1.6
105.07036	10.4
107.04962	0.9
107.08586	12.3
109.02866	4.1
109.06519	14.7
109.10156	9.8
111.04469	1.4
111.08079	2.7
117.07023	2.1
119.08581	10.7
121.10141	9.1
122.07263	0.9
123.08071	35.4
123.11711	3.3
127.03917	10.4
131.08575	5.5
133.10120	7.3
135.08063	8.2
135.11697	6.3
137.09602	2.7
137.13220	1.6
143.08578	1.7
145.04965	1.2
145.10109	5.9
147.11734	5.1
149.09622	4.4
149.13257	4.4
157.10164	1.2
159.11710	4.7
161.09644	1.2
161.13237	3.5
163.14886	1.1
165.12671	1.0
171.11658	0.8
173.13258	4.4
175.14868	1.7
177.12759	3.0
177.16678	0.8
179.14319	46.4
183.11734	0.9
187.14757	1.9
189.16408	1.1
193.15897	1.4
201.16380	1.9
203.17976	0.8
205.15874	2.1
233.19116	1.6
241.19618	1.0
243.21127	1.4
247.20546	1.0
259.20624	1.0
261.22021	4.7
275.20020	4.1
277.21631	0.9
289.25125	0.9
303.23361	1.0
303.26578	3.4
311.25540	0.9
331.26285	28.5
332.27090	0.8
349.27493	1.4
357.24008	1.0
360.22202	1.1
367.25137	0.8
405.26587	0.8
423.31131	100.0
423.35388	4.4
424.31479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45132	1.3
53.03962	1.4
55.05517	8.0
57.03431	3.1
57.07072	5.7
67.05508	12.7
69.07076	15.9
71.04986	2.0
71.08636	1.9
71.12247	3.8
79.05505	8.1
81.03413	1.8
81.07061	20.8
83.04980	2.4
83.08622	6.4
85.06503	1.4
89.06013	1.5
91.05477	7.1
93.07058	13.6
95.08622	17.9
97.06546	2.0
97.10149	3.1
99.08068	1.8
105.07035	10.2
107.04983	1.5
107.08627	13.1
109.06548	7.5
109.10191	9.1
111.11761	1.8
113.00021	4.4
117.07059	2.2
119.08577	11.8
121.10126	10.4
122.07318	1.4
123.08082	36.9
123.11688	2.6
131.08578	3.3
133.10109	7.9
135.08069	8.5
135.11688	6.1
137.09650	4.2
143.08604	1.6
145.10165	5.7
147.11732	8.4
149.09644	2.6
149.13248	6.7
151.63310	1.4
159.11736	4.8
161.13246	3.8
169.02617	4.4
170.26741	1.5
173.13245	3.5
175.14830	1.8
177.12782	6.3
179.14311	19.5
185.13321	2.2
187.14772	1.7
189.16487	1.9
199.14818	1.4
201.16504	1.9
213.16452	1.9
215.17905	2.1
229.19690	2.0
233.19121	1.5
263.20218	3.0
275.20078	6.8
303.26929	4.5
311.25836	6.8
331.26355	27.3
384.55673	1.6
387.25446	2.8
397.63983	1.6
405.35107	2.0
423.31134	100.0
423.36084	8.7
423.46869	2.4
424.31473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.0
57.03434	2.2
57.07064	3.0
59.64842	1.0
59.73323	1.0
67.05508	9.5
69.03448	1.0
69.07068	10.9
69.71426	3.0
69.71838	3.2
71.08634	2.8
79.05492	5.9
81.07060	14.0
83.08620	4.4
85.06540	3.0
91.05486	6.7
92.58054	1.2
93.07053	8.4
95.08616	13.9
97.06539	1.7
97.10200	2.3
99.08110	2.0
105.07053	6.2
107.08620	7.9
109.06525	12.6
109.10168	6.0
111.08073	1.4
117.06997	2.2
119.08595	7.9
121.10175	7.4
123.08073	35.2
123.11713	3.7
129.07040	1.8
131.08575	3.1
133.10143	5.1
135.08067	6.1
135.11716	4.2
137.09651	3.1
142.07822	1.4
143.08646	1.1
145.10123	6.3
147.08095	1.8
147.11705	3.8
149.09650	2.7
149.13261	4.1
157.10149	2.2
159.11659	3.6
161.13284	1.3
163.14948	1.3
167.14398	1.3
171.11728	1.1
173.13258	2.4
175.14742	2.0
177.12764	1.8
179.14320	48.0
191.14330	1.7
193.15828	1.6
194.39288	1.2
203.14400	1.9
205.15918	3.5
221.15439	2.1
243.13840	1.2
251.13046	1.1
275.20193	3.0
293.21106	2.1
303.26938	3.6
331.26306	26.3
340.23367	1.1
349.27457	5.6
367.25232	1.6
405.30103	1.7
405.35223	1.2
423.31128	100.0
423.36194	6.0
424.31589	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45390	0.7
55.01865	0.9
55.05273	0.8
55.05512	7.7
57.03422	2.4
57.07073	1.7
63.18855	0.6
67.05508	11.0
67.77083	0.6
69.03433	1.6
69.07071	11.4
70.81511	1.3
71.04981	1.7
71.08635	1.9
74.36685	0.7
79.05495	6.8
81.03397	0.7
81.07059	15.5
83.04957	1.4
83.08622	4.3
85.06571	1.0
91.05487	3.9
92.80149	0.7
93.07044	8.6
95.04968	1.1
95.08609	14.1
97.06528	2.4
97.10147	2.1
99.08044	0.8
105.07039	7.6
107.08597	9.3
109.06518	8.5
109.10153	7.5
111.08102	1.9
112.99996	1.0
117.07018	1.3
117.16075	0.5
119.07891	0.8
119.08586	6.7
121.06574	1.2
121.10143	7.5
123.08071	46.1
123.11696	2.7
129.06961	0.7
131.08580	2.7
133.10139	6.1
135.08072	7.1
135.11737	4.0
137.09567	3.7
143.08557	0.9
145.10146	3.1
147.11664	3.8
149.09653	2.7
149.13232	3.0
157.10152	1.1
159.11726	3.4
161.13223	2.3
163.11145	1.3
163.14871	1.1
165.12726	0.9
171.64897	0.7
173.13275	1.9
175.14851	1.4
177.12772	2.6
177.16319	0.8
178.68449	0.7
179.14313	17.1
185.13280	1.2
187.14781	1.4
199.14709	0.7
201.16420	0.7
205.15952	1.1
215.18085	0.9
233.19064	1.1
247.20494	1.4
261.22028	0.9
263.19958	0.8
275.20145	4.4
289.21960	0.9
289.25137	1.0
293.21167	3.8
303.26715	5.2
311.26010	1.8
313.25226	0.9
331.26309	26.3
349.27405	6.7
367.24863	2.3
369.24249	0.8
387.25458	1.1
405.30441	1.6
423.31082	100.0
424.31415	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01872	5.2
55.05519	10.0
56.96579	1.7
57.03434	4.1
57.07072	2.6
65.03944	1.4
66.71149	1.0
67.05505	28.4
67.05843	2.4
69.03422	10.1
69.07070	12.8
69.24409	9.3
71.01384	1.4
71.04993	5.0
71.08638	2.0
73.02926	2.1
79.05500	22.4
81.03426	10.2
81.06592	2.1
81.07062	36.5
83.04990	1.7
83.08624	7.2
85.02901	2.5
85.06516	1.2
91.05479	13.8
92.80547	1.1
93.07053	27.3
95.04990	2.4
95.08613	25.7
97.02901	22.5
97.06522	3.0
97.10139	1.3
99.04463	15.6
99.08072	1.7
101.02338	1.4
103.80076	1.1
105.07030	10.7
105.36023	1.2
107.05002	1.5
107.08597	14.9
109.02906	7.5
109.06515	12.1
109.10160	12.1
111.08080	2.1
117.07042	4.7
119.08578	14.9
121.06509	1.6
121.10155	16.5
122.00816	1.0
123.08078	41.6
123.11687	5.2
127.03918	18.7
129.07033	2.4
131.08598	8.2
133.10167	8.8
135.08063	5.9
135.11682	9.6
137.09601	2.4
137.13240	1.5
143.08562	1.7
145.04979	3.2
145.10120	5.9
147.11699	8.4
149.09628	2.2
149.13287	4.6
151.14836	1.8
159.11720	5.4
161.13298	4.8
163.11162	1.5
163.14937	1.4
170.99696	1.3
171.11751	1.1
173.13300	3.8
175.11211	1.6
175.14891	1.9
177.12735	2.5
177.16391	1.3
179.14330	28.3
185.13231	1.3
187.14874	2.5
189.16437	1.5
193.15948	1.1
199.14883	1.3
201.16397	1.2
203.17917	1.1
205.15877	1.2
211.22090	1.0
214.05482	1.0
243.21194	3.2
247.20589	1.2
259.20428	2.6
261.22165	11.6
275.20096	3.4
293.21140	2.3
303.26978	2.6
315.23233	1.4
319.19388	2.1
322.48193	1.1
329.24765	1.1
331.26303	24.3
337.20572	3.9
339.23117	1.1
349.27347	6.0
357.24451	2.0
379.21368	1.3
405.25714	1.3
423.31125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01868	0.9
55.05513	3.8
56.36576	0.5
56.39674	0.4
57.03424	1.6
57.07074	3.7
64.44966	0.4
65.03918	0.7
67.05509	10.4
69.03408	0.7
69.07075	4.6
70.12076	0.9
70.12473	1.1
71.04967	1.4
71.08630	3.2
74.64935	0.4
78.12170	0.4
79.05499	8.2
81.03414	1.2
81.06596	0.7
81.07063	14.2
81.97868	0.4
83.04978	0.8
83.08618	2.5
85.06564	2.4
91.05486	4.6
93.07052	9.1
95.04950	1.2
95.08607	13.0
97.02895	7.8
97.06528	1.5
97.10165	0.8
99.04472	3.7
99.08081	1.8
105.07040	5.2
107.08604	7.9
109.02849	1.4
109.06524	15.1
109.10169	5.2
111.08089	1.0
117.07024	1.0
119.08579	5.2
121.06529	0.6
121.10159	5.5
122.07297	1.2
123.08076	24.7
123.11707	1.9
125.09636	0.5
127.03922	2.2
129.07018	0.5
131.08588	2.3
133.10130	3.6
135.08047	5.1
135.11684	3.5
137.09601	1.9
137.13261	0.9
145.04942	1.0
145.10127	2.6
147.11713	3.1
149.09621	1.7
149.13271	3.0
151.11256	0.5
151.14824	0.5
157.10168	0.7
159.11725	2.5
161.13222	1.7
163.14868	0.7
165.12762	2.2
167.14282	1.3
173.13272	1.3
175.14777	0.7
177.12778	1.6
177.16457	0.6
179.14317	67.8
180.14679	0.6
183.38474	0.4
185.13268	0.4
187.14769	0.9
191.14330	1.4
193.15854	2.7
205.15865	3.2
219.17393	0.7
233.19101	0.9
247.20515	0.8
261.22079	2.1
275.20111	2.1
289.21973	0.6
289.25281	0.9
303.26605	1.0
313.25497	0.5
331.26343	27.0
349.27341	5.3
367.24808	0.7
405.30051	1.7
423.31082	100.0
424.31464	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03946	8.7
55.01863	10.3
55.05506	33.1
57.03424	10.9
57.07067	10.9
67.05506	89.9
69.03432	29.4
69.07062	28.2
70.77048	12.5
71.04993	13.0
71.08630	9.1
71.69137	4.3
73.67083	4.2
76.94941	4.1
77.39629	4.6
79.05489	59.3
81.03421	41.0
81.07060	100.0
83.04986	9.1
83.08622	15.3
85.02901	12.2
89.06023	6.8
91.05487	62.4
93.07043	85.6
95.04959	15.6
95.08606	77.0
97.02884	42.8
97.06519	10.6
97.10189	8.3
99.04472	20.9
102.58227	4.4
105.06394	6.1
105.07043	59.3
107.04977	6.9
107.08604	48.9
109.02892	11.7
109.06503	8.4
109.10144	30.6
111.04445	9.5
111.08055	5.4
115.03917	5.4
117.07009	26.1
119.08591	47.0
121.06498	7.6
121.10131	40.3
123.04437	5.4
123.08069	13.0
123.11712	7.9
127.03918	18.0
128.68176	5.0
129.05501	4.6
129.06970	13.9
131.08571	35.6
133.06462	5.9
133.10123	28.5
135.08040	10.7
135.11673	23.3
137.09583	7.1
137.13260	4.9
143.08548	13.3
145.06485	7.2
145.10121	24.9
147.08037	5.9
147.11673	17.4
149.13246	20.7
151.07520	5.9
155.08536	7.3
157.10074	11.2
159.11742	22.3
161.09610	5.7
161.13263	20.5
171.11710	11.6
173.13254	19.4
175.11209	6.5
175.14781	4.6
179.14290	7.0
183.11656	6.4
185.13263	13.7
187.14775	7.4
189.12750	6.1
195.11629	6.4
199.14857	6.1
213.12749	5.1
233.18996	4.6
243.21059	7.8
247.41364	4.3
259.20566	6.6
261.22192	17.4
273.22235	5.6
277.21689	10.1
289.21609	12.0
291.23236	8.2
301.21768	5.4
303.23279	12.8
315.23138	10.9
341.24692	10.2
345.24127	10.8
351.23166	10.5
369.24216	25.8
387.25311	38.0
395.41992	4.6
405.26294	38.8
423.26910	8.6
423.31821	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
55.01870	11.8
55.05510	33.3
57.03424	9.2
57.07080	7.4
65.03964	3.8
67.05508	99.1
69.03432	36.5
69.07073	43.4
69.29767	9.2
69.30193	17.5
71.04999	9.9
72.08170	4.4
73.02911	4.3
79.05499	73.4
81.03420	50.3
81.06586	6.4
81.07062	100.0
81.97384	2.9
82.30820	3.5
83.04986	14.1
83.08632	16.4
85.02905	19.0
85.06506	3.6
87.04477	3.9
91.05476	71.7
91.12568	2.9
93.07043	88.4
95.04965	16.7
95.08607	82.4
97.02891	13.5
97.06532	10.4
97.10162	7.7
98.97585	4.1
99.04469	11.2
103.05457	3.7
105.07040	69.1
107.04984	6.2
107.08603	57.7
109.02901	8.0
109.06519	13.4
109.10165	44.9
111.04448	11.2
115.05442	5.6
117.07023	33.6
119.08585	59.8
119.09373	4.9
121.06552	7.4
121.10146	56.7
123.04488	4.0
123.08078	10.7
123.11699	12.3
127.03930	7.8
129.05501	5.2
129.06999	22.7
131.08559	32.6
133.06519	7.6
133.10164	41.3
135.08090	7.9
135.11708	35.1
137.13261	4.3
141.06999	3.9
143.08554	16.1
145.06500	6.8
145.10143	33.8
147.08044	8.1
147.11700	34.5
149.05952	3.3
149.09628	6.9
149.13290	17.9
155.08548	8.9
157.06519	3.9
157.10153	17.3
159.08049	5.3
159.11700	30.3
161.06010	3.8
161.09633	8.1
161.13251	20.1
163.11143	5.6
163.14833	8.7
165.12761	3.8
167.08591	5.3
169.10110	8.0
170.86330	3.4
170.99644	3.3
171.11714	15.4
173.09683	5.9
173.13319	22.6
175.14844	6.1
177.12718	5.3
179.14281	3.4
181.10115	4.3
182.58411	2.8
183.11691	7.8
185.09712	4.8
185.13332	14.8
187.11163	4.4
187.14810	15.7
189.12703	6.0
189.16435	4.4
195.11880	3.8
197.09572	4.2
197.13399	4.6
199.14876	10.5
201.12767	5.4
201.16458	8.7
203.14336	4.7
209.13245	4.0
211.14757	8.6
213.12764	4.0
213.16335	3.8
223.14941	3.5
235.13046	3.5
241.19519	5.5
243.21249	4.2
259.20627	16.2
261.22183	30.9
267.16757	3.3
271.20731	4.2
273.22070	6.9
277.21655	9.2
285.22083	7.7
289.21652	7.3
291.23242	8.6
291.83008	2.8
301.21753	5.1
303.23187	23.2
313.21548	4.6
315.23074	8.0
319.22714	6.0
323.23868	4.9
327.23099	6.0
341.24762	7.1
345.24405	7.0
351.23114	16.3
359.25421	3.2
369.24277	45.0
387.25323	31.5
405.26328	45.7
423.27042	20.9
423.31952	9.1
423.36469	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18885	3.0
53.03937	9.8
55.01860	12.0
55.05516	34.5
57.03428	8.6
57.07077	4.3
65.03919	3.3
66.85621	2.8
67.05506	89.5
69.03432	29.8
69.07068	31.8
71.04977	6.6
71.08639	3.9
71.52686	4.7
73.02908	6.7
79.05073	4.1
79.05501	57.0
81.03421	36.8
81.06593	5.5
81.07060	100.0
83.04967	8.8
83.08620	14.3
85.02908	16.3
85.06531	5.4
86.09760	2.9
86.18474	2.8
91.05494	51.0
91.06039	5.5
93.06492	4.4
93.07049	69.6
95.04964	16.2
95.08610	68.2
97.02901	20.5
97.06538	10.6
97.10155	8.4
98.97552	4.2
99.04451	7.2
103.05561	2.8
105.07041	61.3
107.04956	6.6
107.08601	48.9
109.02891	8.9
109.06512	13.7
109.10159	41.1
111.04442	12.1
111.08069	6.4
111.11701	2.8
115.03940	4.4
115.05453	3.6
117.07021	27.2
119.08591	47.7
119.30257	2.7
121.06488	7.8
121.10155	41.5
123.04430	4.1
123.08057	8.2
123.11685	12.5
127.03906	6.9
127.47223	3.0
128.06232	8.1
129.05479	4.3
129.07013	17.8
131.08582	39.7
133.06516	7.1
133.10155	38.5
135.08069	8.9
135.11688	32.3
137.05942	4.5
137.09630	7.7
137.13188	3.9
139.11246	4.0
141.07019	5.4
142.07782	3.7
143.08565	16.1
145.06505	5.3
145.10133	32.2
147.08046	7.2
147.11676	25.7
149.09619	7.9
149.13261	13.6
151.07568	4.9
155.08498	7.2
157.10146	18.9
159.08076	4.4
159.11707	27.3
161.09665	6.6
161.13298	14.6
163.11159	5.1
163.14842	5.4
167.08559	4.3
169.10141	9.2
171.11644	13.6
173.13239	18.5
175.11189	8.3
175.14851	6.8
177.12784	6.1
179.10516	3.4
179.14355	7.8
183.11755	8.4
184.07332	7.0
185.09622	5.4
185.13254	11.6
187.11189	6.4
187.14777	9.9
188.70122	3.2
189.12814	5.5
189.16405	4.6
191.14343	4.3
195.11784	5.5
195.13696	3.0
197.13252	7.9
199.14789	7.6
201.12837	4.8
201.16344	6.6
203.14537	4.9
205.12299	3.1
209.13292	4.0
213.12746	5.7
213.16481	3.3
217.15843	3.8
219.13950	3.6
233.15639	3.8
235.16850	3.7
241.19626	3.7
243.21136	3.6
259.20618	11.8
261.22174	17.1
271.20544	3.9
273.22086	7.2
276.03027	3.5
277.21619	8.2
279.23257	4.8
283.20740	4.3
285.21985	4.0
289.17813	3.6
289.21552	6.9
291.23178	9.5
299.23581	3.8
301.21561	8.7
303.23126	20.6
313.21606	6.1
315.23175	6.5
319.22540	9.0
323.23898	3.8
327.23157	6.1
329.21042	5.4
341.24658	10.6
345.24057	6.2
351.23138	12.3
359.25818	6.8
369.24234	36.0
387.20804	4.5
387.25366	40.2
405.26392	46.1
423.26932	18.7
423.32062	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
52.09090	1.9
53.03947	8.6
55.01866	8.8
55.05512	28.2
56.96563	4.2
57.03431	4.7
57.07076	4.9
59.04990	2.1
63.81518	1.9
65.03935	6.1
65.05941	1.7
67.05508	78.6
69.03426	21.6
69.07069	24.2
69.14994	7.6
69.15422	11.7
71.01353	3.3
71.04989	10.1
73.02931	3.8
79.05493	82.5
81.03419	22.2
81.07059	89.0
83.04991	3.3
83.08627	12.9
85.02891	7.2
85.06528	3.4
86.71964	2.0
91.05482	53.0
93.07045	100.0
94.46902	1.7
95.04970	7.1
95.08607	79.7
96.20164	1.7
97.02895	87.2
97.06525	5.5
97.10153	5.7
98.97582	8.7
99.04452	23.8
105.04516	2.7
105.07041	41.6
107.08589	52.7
109.02881	11.3
109.06529	4.5
109.10158	35.1
109.29040	2.0
110.97542	2.6
111.04450	3.4
111.08027	2.7
116.98638	3.3
117.07011	16.4
119.04952	1.8
119.08591	36.3
121.10149	56.0
123.08075	8.2
123.11726	9.6
125.09650	2.2
127.03917	32.1
129.07008	5.1
131.04906	4.6
131.08562	28.1
133.10135	22.8
135.08052	4.5
135.11705	36.0
137.13269	3.9
143.08597	4.5
145.04955	5.2
145.06497	4.3
145.10141	23.3
147.08018	3.6
147.11691	21.8
149.09631	3.5
149.13258	15.7
151.11205	3.6
155.08545	2.7
157.10127	6.4
159.08043	3.0
159.11694	20.9
159.78810	2.1
161.09641	3.8
161.13277	15.4
163.11234	3.4
163.14810	5.3
165.12845	2.2
169.10159	3.1
170.99579	2.2
171.11705	5.8
173.09631	5.4
173.13286	18.7
175.11201	2.4
175.14844	8.3
177.12758	3.3
177.16344	3.0
179.14313	8.9
181.10114	2.0
183.11664	4.7
184.01535	2.1
185.13272	5.7
187.14813	8.3
189.00661	3.8
189.16429	5.4
195.11661	2.0
199.14807	4.4
199.70108	1.8
201.12737	3.0
201.16414	6.9
203.18028	2.5
205.15775	2.0
209.13373	3.0
215.14360	3.1
215.18175	2.5
231.21138	3.4
241.19460	4.3
243.21066	9.6
255.21089	2.7
259.20557	8.9
261.22141	47.1
273.22064	4.7
277.21683	2.6
289.21506	2.4
313.21619	2.7
329.24673	5.2
329.90601	1.9
331.26172	5.3
337.20499	2.8
339.23163	7.9
357.24106	7.4
378.14453	3.6
383.04959	4.5
405.26492	4.3
423.26645	4.6
423.32245	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	423.2358
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05517	1.3
59.43864	0.5
67.05518	1.8
69.07074	1.9
70.06592	1.0
71.52105	1.2
79.05501	1.0
81.07058	4.3
83.08629	1.6
84.08177	0.7
86.09728	0.6
91.05480	2.0
93.07040	3.7
95.08617	6.4
97.06518	0.7
97.10213	0.6
98.97624	0.8
105.07052	4.7
107.08611	4.4
109.10147	3.8
117.07011	0.6
119.08587	4.6
121.06578	0.6
121.10172	3.3
123.11685	2.6
131.08604	3.2
133.07623	0.5
133.10158	3.0
134.85979	0.5
135.11699	1.3
137.13284	1.4
141.59152	0.5
143.08572	1.3
145.10161	3.0
147.11681	2.9
149.06003	1.1
149.09685	0.6
149.13284	1.8
157.10149	1.8
159.11697	4.2
160.73584	0.6
161.13306	2.7
163.14810	0.9
171.11743	1.9
173.13268	3.6
175.14902	1.5
183.11731	1.1
185.13225	1.2
187.14824	4.0
189.16435	1.5
191.17975	1.6
197.13344	0.9
199.14890	0.9
200.83215	0.5
201.03716	14.7
201.16411	0.8
203.05278	12.6
203.18031	1.5
205.12175	1.0
205.19620	0.7
210.17392	0.6
213.16498	0.7
215.17935	0.6
219.13840	2.0
227.17967	0.9
229.19452	0.7
231.13725	1.2
233.15385	1.8
239.18175	0.9
242.06410	0.7
243.17232	1.0
243.21089	0.8
245.16350	0.5
245.18756	3.2
269.22705	0.8
377.32141	1.3
421.29968	0.5
423.23608	100.0
423.32010	10.8
424.23920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15555	0.6
55.05507	1.4
57.07055	0.9
61.07122	0.5
63.53331	0.6
67.05499	2.4
69.07066	2.4
69.33608	4.6
70.06588	0.8
72.08146	0.7
79.05484	1.9
81.07049	5.8
83.08617	1.3
86.09718	0.8
87.69959	0.5
91.05482	2.2
93.07047	3.0
95.08611	6.6
97.10191	1.0
98.21496	1.0
98.97591	0.8
105.07030	7.3
107.08587	4.8
109.06570	0.6
109.10160	3.8
111.08171	0.6
117.07050	0.6
119.08581	6.0
121.10110	3.1
123.11726	2.1
129.06999	0.7
131.08633	2.8
133.10120	3.2
133.92909	0.5
135.11687	1.7
137.13321	1.0
143.08522	1.4
145.10135	3.2
147.11650	3.0
149.13268	2.3
157.10184	1.4
158.10977	0.6
159.11743	3.7
161.13271	2.4
163.03828	0.6
163.14836	0.8
171.11697	1.7
173.13292	3.9
175.14824	2.3
177.05414	0.7
177.16374	0.7
185.13289	1.9
187.14792	4.6
189.16383	2.0
191.17964	2.6
193.12230	0.7
197.13257	1.2
199.14857	1.1
201.03719	16.7
201.16487	0.8
203.05281	12.6
203.17996	1.8
205.12276	0.7
215.72118	0.5
217.19603	0.8
219.13849	2.0
225.16461	0.7
227.17821	0.9
231.13799	1.1
232.16347	0.6
232.64024	0.6
233.15335	2.8
239.18106	0.7
243.17236	1.1
243.21100	0.8
245.15369	0.9
245.18817	2.0
259.17252	0.6
269.22653	1.0
313.21494	0.6
377.32056	1.2
405.31616	0.8
423.23584	100.0
423.32068	13.8
424.23990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2356
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05508	1.1
56.96568	1.0
57.07076	0.9
66.46876	0.5
66.50314	0.4
67.05499	2.1
69.07054	1.4
70.06596	1.3
71.51362	0.8
72.83661	0.5
79.05499	1.1
81.07069	3.8
88.07613	1.2
91.05483	0.7
93.07047	2.5
95.08620	3.7
97.02846	0.5
98.97588	1.4
102.09200	0.9
105.07036	2.5
107.08615	3.3
109.06525	0.8
109.10172	2.2
119.07839	0.6
119.08581	2.6
121.10136	2.4
123.08060	1.0
123.11693	1.2
131.08571	1.4
133.10165	2.0
135.08031	0.7
135.11699	1.6
137.13249	0.8
143.08559	0.9
145.10161	1.3
147.11798	1.3
149.02353	3.5
149.13293	0.8
150.02713	2.5
159.11723	1.0
161.13225	1.0
171.11777	0.7
173.13248	1.4
179.14342	2.0
182.48734	0.7
183.11868	0.6
185.13243	1.2
187.14908	1.5
189.16428	1.5
191.17986	0.8
193.04973	4.6
194.05263	3.4
195.09966	0.7
201.16393	0.7
215.18179	0.6
219.13931	0.6
256.26443	0.9
257.26712	2.8
331.26413	0.9
349.19785	1.0
405.31665	0.8
415.89734	0.6
423.23615	100.0
423.29510	9.8
423.32599	3.2
424.24149	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
55.05524	2.5
56.05037	4.5
57.03424	1.4
58.99575	2.0
60.04521	2.1
61.01144	8.6
67.05504	2.1
69.03418	2.7
69.07069	2.5
70.06595	29.1
71.05007	1.9
71.51431	1.5
72.04523	10.5
72.08159	30.8
73.02904	2.5
74.06073	4.9
78.03795	14.0
79.05495	1.7
81.03420	2.1
81.07047	1.4
83.04965	1.8
83.06099	2.7
84.04530	8.7
84.08146	9.3
85.02916	11.7
85.06541	2.3
86.06072	4.6
86.09701	16.5
88.02197	6.2
88.04007	2.5
91.05464	5.0
95.04955	3.1
97.02879	2.2
98.02428	1.8
98.06066	1.3
98.97600	2.2
99.04465	5.5
99.05586	3.3
101.07175	1.5
102.03773	27.0
102.05519	1.1
103.02176	3.6
103.03942	14.1
104.05311	1.2
107.04933	1.9
109.02872	4.4
110.07161	9.1
112.08763	2.3
113.06003	2.6
114.03732	2.9
114.05533	3.7
116.07117	2.2
116.59998	1.2
118.03250	1.2
119.04971	3.3
119.08607	1.5
120.04790	5.1
120.06619	1.4
120.08106	26.4
124.07597	1.5
126.05521	20.5
127.03929	7.9
129.10229	5.5
130.08640	2.0
131.06393	10.2
132.04791	14.4
132.10228	2.8
136.07590	18.0
137.05988	3.0
142.08627	6.6
145.02856	1.5
147.04404	4.4
149.06160	2.6
149.07439	50.7
151.03914	3.6
152.07065	1.8
154.08658	2.9
155.07057	1.4
156.07726	3.2
159.05879	3.5
161.07249	1.4
167.07031	2.4
174.09146	1.2
175.05397	2.8
177.05495	5.5
177.10226	5.8
180.06557	14.1
181.04924	1.3
181.09760	1.5
184.09724	2.2
198.07663	2.9
205.09843	7.1
207.11322	1.6
216.08717	1.9
219.13416	3.9
231.11485	4.4
241.09473	2.3
242.07961	1.4
242.10208	2.4
253.16618	1.5
254.16249	1.5
257.09369	1.7
261.12628	3.7
263.07245	2.6
275.10474	1.7
278.12302	1.6
285.83389	1.7
293.11667	100.0
302.12106	1.8
304.16815	1.2
318.13925	1.4
326.19348	1.7
327.09744	3.0
345.10861	2.0
362.64899	1.4
405.12485	4.5
405.17029	32.6
405.21411	2.2
406.09079	1.5
423.13977	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	423.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
60.04534	0.4
62.23472	0.4
64.32196	0.4
67.05522	0.5
69.07100	0.5
69.18983	1.7
69.19417	1.8
70.06596	4.3
71.05000	0.4
72.08158	56.6
79.05525	0.4
81.03462	0.4
84.04503	1.0
84.08166	2.8
85.02911	1.1
86.09707	7.2
91.05476	0.8
93.07072	0.5
95.04993	0.6
98.21492	0.6
98.97604	0.8
103.05506	0.6
107.04961	0.5
109.02872	0.6
110.07173	0.9
116.07128	0.4
119.08651	0.4
120.08119	5.3
121.08426	0.4
129.10263	1.1
133.02856	0.4
136.07619	1.3
147.04445	0.5
151.03851	0.5
163.03972	0.5
166.08643	0.5
167.07085	1.4
173.12843	0.7
177.05525	1.2
208.05118	0.4
219.08127	0.5
221.06059	1.4
223.07570	0.6
224.04753	1.0
231.04572	0.4
232.07310	0.4
236.04739	1.1
237.05479	1.1
240.13576	0.8
245.36664	0.5
246.05554	1.4
248.04860	0.5
248.07106	0.7
249.05478	2.8
251.03468	0.5
251.06984	1.2
252.04219	0.8
261.05643	1.2
264.04224	1.6
265.04932	0.6
266.05713	0.8
268.03705	0.6
274.04959	2.8
275.03336	0.6
276.04239	1.8
276.06863	0.7
277.04852	2.7
278.05493	0.8
279.06607	1.5
279.16983	0.8
282.05240	0.6
291.05353	1.2
292.03629	13.6
293.04349	1.3
293.07864	1.2
294.05295	0.5
296.03195	1.1
302.04492	5.5
303.02866	1.5
304.03503	12.1
305.04474	1.4
306.07764	0.7
307.06024	5.7
308.03189	2.2
308.06528	0.9
309.07663	1.1
310.04791	1.2
314.04547	0.4
318.07761	0.6
320.05911	2.2
321.03992	1.1
321.07224	1.2
322.04626	3.6
332.05579	4.0
334.07071	5.3
335.05484	18.3
336.08667	1.2
337.07095	1.4
348.05109	5.0
349.05939	1.8
350.06631	0.5
352.08182	7.4
352.12231	0.6
353.06464	3.5
364.08154	100.0
365.08603	1.8
391.10977	0.6
405.14502	0.7
406.12860	70.1
407.13339	1.5
423.15518	84.5
424.15823	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	2.4
56.05018	1.3
57.03413	2.6
60.04518	0.9
69.03391	0.7
69.07038	0.6
70.06592	6.7
70.08421	1.6
70.08815	1.1
72.08159	14.4
74.06065	1.1
81.07034	0.9
83.04976	0.7
84.04469	1.6
84.08161	3.6
84.95970	0.6
85.02869	2.0
86.06059	0.9
86.09718	7.0
87.05569	1.2
91.05472	1.3
93.07018	0.8
97.02891	1.1
98.97595	1.0
105.07035	0.7
107.08555	0.7
109.21797	0.6
110.07138	2.4
111.04391	0.6
112.08704	1.0
115.08674	0.5
119.08563	0.8
120.08085	2.7
127.03904	0.6
129.10234	1.3
130.06506	0.7
137.05959	1.1
146.05988	0.7
151.03766	0.7
151.07549	0.7
165.07001	0.6
167.07063	5.0
173.12874	1.7
175.07404	0.7
177.05513	1.0
179.07010	2.5
188.07069	1.0
191.12070	0.6
205.09825	0.8
208.05219	0.7
221.05830	1.2
227.09229	1.1
236.04712	1.8
236.07066	0.8
237.07657	0.6
246.05501	2.0
248.07127	1.3
249.05612	1.1
249.07874	0.6
251.07095	1.1
252.04155	0.7
254.04526	0.9
260.07108	0.7
262.02625	3.7
262.05051	1.5
263.03418	1.2
264.04327	7.9
264.06793	0.8
265.07291	1.2
274.05011	2.6
276.04071	1.2
276.06625	6.8
277.04883	1.9
277.07541	0.9
278.04373	3.1
279.05563	2.0
280.06210	1.2
283.06006	1.3
288.06616	0.7
290.01968	0.8
290.04568	7.4
291.05698	0.6
292.03366	1.4
292.04416	0.9
292.06403	3.8
293.06952	4.0
302.04514	5.2
303.02606	1.0
304.06165	10.6
305.04126	1.3
305.07083	1.5
306.04034	1.4
306.07489	1.3
307.06116	3.6
308.05878	0.7
308.09125	1.6
316.06219	0.7
320.05707	1.2
321.06378	10.5
322.07202	3.0
331.04901	0.8
332.05554	9.6
333.03113	0.9
333.06989	2.8
334.07074	2.5
335.05713	2.0
336.08679	20.5
337.05930	1.0
346.07193	1.1
346.10938	1.4
348.04941	0.8
349.05856	5.4
352.08170	1.9
364.08179	82.7
365.08466	1.9
371.26163	0.7
400.07193	0.6
406.12888	43.1
407.13324	1.5
423.15546	100.0
424.15833	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
56.05032	2.3
56.96541	1.0
60.04531	0.8
60.05640	0.8
61.58170	0.7
64.83710	0.8
67.89896	0.7
68.05035	1.8
69.03428	3.6
69.07090	1.5
70.06600	18.0
70.71816	2.3
72.08166	6.8
74.06068	1.5
74.92393	0.8
77.00437	0.8
81.03407	2.1
82.06534	0.8
82.99863	2.0
84.04499	5.9
84.08152	13.3
85.02925	5.4
86.06062	6.7
86.09701	3.5
86.99324	1.0
87.04448	0.9
91.05453	1.5
95.04974	0.9
97.02890	4.1
98.06055	2.9
98.97588	2.6
101.00904	12.7
101.04253	1.8
102.05538	2.0
104.05316	2.0
107.04932	1.1
109.02879	1.2
110.07180	14.7
110.97615	1.3
112.08730	2.3
113.00877	3.4
114.05484	1.1
115.02415	2.3
115.08688	2.3
116.07144	1.1
116.98592	1.1
118.08649	3.2
119.01938	14.2
119.04926	0.9
120.08101	5.2
123.04411	1.4
127.02418	9.5
127.03934	2.3
129.04013	2.1
129.05463	0.7
129.10237	6.7
130.08646	1.1
131.01924	6.5
132.06627	1.4
133.03476	3.7
136.06216	1.0
136.07632	1.3
137.00862	2.4
137.05981	3.8
139.02449	2.0
141.04010	1.4
143.01898	11.4
145.03477	29.1
147.01389	2.0
147.07613	0.8
152.07065	1.4
153.04019	1.7
155.01886	19.0
156.07712	4.5
157.03458	13.0
159.05023	2.8
161.02980	8.8
163.04488	3.3
167.01868	6.0
167.06969	1.0
169.03473	4.7
171.01141	7.7
171.05052	7.6
172.01450	6.0
172.04234	6.1
173.02982	19.5
173.06650	2.0
175.04517	2.9
181.03494	1.7
183.05022	2.9
185.02969	17.7
187.04536	3.4
189.06100	2.9
193.03522	1.0
195.01323	0.9
197.02969	3.8
199.04559	2.0
201.06128	2.8
203.04045	9.7
209.03096	1.9
211.04559	1.6
213.06090	1.5
215.04033	4.8
221.02998	1.9
221.05124	4.0
223.11925	1.5
225.06171	1.3
227.04027	3.0
229.05569	1.0
231.07047	1.2
239.04016	2.1
245.05008	0.9
245.11426	4.7
249.08215	24.2
257.05142	2.6
261.06439	1.2
261.09039	1.5
267.09286	10.1
269.05130	1.1
271.06720	2.6
287.06299	1.0
291.09262	1.7
299.06177	1.1
305.10785	1.1
315.09210	5.0
333.10336	35.5
335.04138	1.1
342.16537	3.7
345.10281	3.4
363.11383	100.0
364.11652	1.6
381.12259	1.8
385.71515	1.0
423.13553	9.3
423.20114	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	422.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06050	1.0
54.48736	1.0
56.96302	1.5
56.96565	21.0
67.05511	1.5
67.32712	1.0
71.52769	1.2
71.95244	1.9
81.07037	1.7
89.15751	1.1
89.49963	1.0
93.07040	1.8
95.08603	1.8
97.99139	1.5
98.97594	1.7
109.10171	1.6
116.00224	1.4
130.01750	4.1
141.02199	1.8
142.01762	2.2
143.62978	1.1
144.06700	1.4
160.02696	1.2
173.04869	1.4
182.04814	1.1
184.06500	1.1
198.08025	1.6
216.09033	2.4
224.06044	1.3
238.11098	2.3
240.12747	1.8
252.12633	4.1
254.14233	1.8
256.12357	1.2
264.43350	1.2
270.13736	1.6
289.38763	1.1
292.27972	1.0
319.19330	2.1
330.21082	1.3
332.22620	7.2
338.25903	1.2
344.22513	1.9
346.20444	2.0
348.22067	9.7
350.19669	1.8
350.23688	27.9
362.23666	100.0
363.24191	1.8
380.24619	1.3
403.26224	3.7
422.25705	14.1
422.30438	3.6
422.35233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55334	1.7
52.10204	1.7
55.05504	4.1
57.07076	12.8
57.75740	2.3
58.41829	1.8
65.34248	1.8
67.05530	9.2
69.07079	12.4
69.17045	5.2
69.17447	15.5
71.04988	5.9
71.08638	13.7
74.48874	1.7
81.07040	10.8
82.07375	3.2
83.08611	5.4
89.06034	4.1
91.05480	3.8
93.07037	5.9
93.82649	1.9
95.08610	10.4
96.08938	2.6
98.21468	4.4
100.59895	1.9
105.07038	5.1
106.07353	4.0
107.08579	7.0
109.10167	46.1
117.06917	1.9
119.08585	5.9
121.02827	2.3
121.10124	3.5
123.11682	2.1
127.11198	100.0
131.08531	2.5
133.08623	2.7
133.10100	6.1
134.10403	3.0
135.11647	3.5
145.10165	4.2
146.10457	4.4
147.11708	5.5
148.12057	2.5
149.01175	3.6
149.02347	64.3
149.13306	3.4
157.10094	3.6
159.11710	2.8
161.13203	2.6
173.13181	3.0
183.11621	2.2
185.13222	3.8
188.15205	2.5
198.13637	2.6
200.15195	3.9
212.14980	2.1
213.16394	2.0
214.16812	2.1
228.18257	3.1
358.64093	2.3
404.33905	4.6
422.35172	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	422.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34785	1.2
51.20658	1.1
53.03944	2.7
55.01865	3.1
55.05508	3.4
56.05027	2.3
57.03436	3.0
60.04515	2.2
67.05509	6.5
69.03422	5.9
69.07059	4.1
70.06595	21.3
71.04974	4.3
71.06937	1.4
71.51901	1.9
72.08154	10.6
74.06071	1.6
79.05501	16.9
81.03406	1.9
81.07059	10.7
83.04975	3.6
83.06068	1.3
84.04510	7.2
84.08142	10.7
85.02910	16.8
86.09711	21.5
88.04014	1.6
91.05476	6.7
93.07010	6.2
95.04974	8.7
95.08611	3.7
97.02894	5.2
97.06524	4.6
98.97571	2.0
99.04444	5.5
102.05518	1.6
105.07044	9.3
107.04957	21.9
107.08583	4.7
109.02860	2.0
109.06496	6.7
109.10163	29.1
110.07204	6.7
111.04440	3.8
112.08759	1.7
116.07134	2.2
117.07012	1.9
119.04970	1.3
119.08589	13.2
120.08121	15.4
121.06493	2.9
121.10158	2.7
123.04456	2.1
123.08066	2.0
125.05959	2.5
127.03938	2.6
128.06230	4.4
129.07031	2.4
129.10246	6.8
130.06519	2.2
133.06512	1.5
133.10136	10.9
135.08041	2.3
135.11694	1.6
136.07613	1.8
137.05981	4.3
137.09622	59.7
143.06999	1.5
143.08580	13.4
145.04961	2.5
145.10141	3.3
146.07224	2.8
147.08054	20.3
147.11687	2.2
149.05983	1.5
151.11148	1.5
156.07782	1.9
161.09622	98.5
162.07620	4.4
163.03947	1.7
163.07602	1.4
163.11209	3.2
165.09119	93.6
167.07014	2.1
174.06706	2.3
177.05530	1.9
179.10721	9.5
183.10133	3.1
189.09125	11.7
197.11769	4.2
207.10165	100.0
225.11220	50.1
225.14658	6.7
233.16454	5.2
243.12280	2.3
260.12915	1.7
267.17087	1.4
376.22122	2.2
394.23026	1.7
395.21451	2.3
422.17603	2.2
422.22339	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	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31365	1.7
53.03955	10.5
55.01876	14.6
55.05513	2.6
56.96551	2.9
57.03443	10.1
60.04510	1.6
61.02924	8.4
67.05499	5.8
68.99790	2.7
69.03433	38.3
69.07070	5.6
69.22918	1.4
70.06602	1.8
70.09283	2.5
70.09661	3.3
71.04987	6.4
73.02926	13.9
79.05506	2.3
81.03419	36.6
81.07071	7.3
83.04984	1.7
83.08618	2.2
83.72007	1.3
85.02911	100.0
86.09727	2.0
87.00831	47.5
87.04436	1.5
91.03975	3.3
91.05483	2.0
93.07056	4.9
95.08613	4.1
95.53283	1.3
97.02894	67.4
98.97591	4.1
99.04453	18.6
105.01871	66.7
105.06996	3.4
107.08618	4.1
108.04514	8.2
109.02879	42.0
109.10168	3.2
117.01871	5.9
119.08572	3.2
121.10170	2.2
126.05489	3.4
127.03920	91.0
129.01863	5.9
131.08641	1.8
133.10155	2.0
135.11729	1.7
139.11195	5.5
145.04967	52.9
147.02904	3.9
147.11711	2.7
149.13293	2.3
159.02911	25.9
159.11700	4.1
163.14754	1.3
164.65758	1.6
187.14908	1.9
198.96837	2.2
205.00452	1.7
213.04016	7.1
229.14354	3.7
230.06538	1.9
231.05014	24.2
248.07619	3.0
249.06171	4.4
269.17484	4.8
277.21664	1.7
290.12289	1.8
351.25320	1.9
359.04822	1.5
387.16531	3.9
399.04700	1.7
399.77515	1.5
422.22559	1.7
422.31662	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	421.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	14.8
57.46398	0.3
58.06577	0.3
62.84112	0.3
67.05500	0.5
69.07061	0.4
71.52149	0.3
81.07056	1.0
83.08619	0.3
84.08134	0.4
86.76629	0.3
88.07666	0.3
91.05470	0.9
93.07029	0.6
95.08607	0.6
105.07031	1.0
107.08574	0.7
109.10171	0.8
119.08601	1.0
121.10130	0.6
123.11718	0.4
125.07143	2.0
126.05521	2.3
131.08618	0.4
132.44717	0.3
133.10155	0.5
135.11726	0.5
137.05902	0.3
145.10124	0.5
147.11671	0.5
149.02336	1.0
159.11636	0.6
161.13351	0.3
171.11540	0.3
187.14943	0.4
189.16409	0.5
191.11763	0.3
193.04959	2.1
208.14479	1.1
209.12846	6.6
210.11253	0.4
210.23734	0.3
215.96555	0.3
215.98454	0.3
218.12894	2.5
219.11339	1.0
256.26328	0.6
260.15201	0.5
274.19147	0.4
275.17563	4.3
292.20163	4.5
292.23215	0.4
293.18539	4.9
302.18622	8.6
338.96820	0.5
343.22418	0.3
358.24835	1.3
376.25940	100.0
377.26495	1.7
394.27139	2.4
421.08362	0.3
421.31357	7.5
422.28940	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13842	0.2
52.17667	0.2
53.09972	0.2
54.22358	0.3
55.01862	0.4
56.05020	0.3
57.03424	0.8
58.21480	0.3
60.04521	0.3
60.28060	0.2
61.02916	0.7
66.92321	0.3
69.03438	2.2
69.75091	1.5
70.06592	1.1
71.04977	0.7
72.08148	1.1
73.02911	0.4
74.00668	1.0
74.06065	0.3
76.92468	0.3
81.03438	1.7
84.04507	1.0
84.08148	2.1
85.02911	7.1
86.09739	0.5
87.42522	0.3
87.44316	0.3
88.04035	0.3
91.03943	0.4
97.02901	2.7
99.04470	0.3
101.00893	0.4
107.04875	0.3
109.02882	0.9
109.06638	0.3
110.07148	0.7
115.02165	2.1
116.07129	0.3
118.08672	0.7
119.04934	0.4
120.01167	0.8
121.13377	0.3
123.04411	0.7
127.03886	1.3
128.61627	0.2
129.05493	0.3
129.10257	0.9
132.10184	0.3
136.06279	0.4
137.05962	0.8
139.03999	0.4
143.01634	18.7
145.04953	1.0
152.05719	0.5
152.07036	0.6
155.01894	0.3
163.03879	0.8
164.04008	0.3
171.01120	100.0
172.01459	0.5
202.09219	0.3
243.03334	0.7
260.05896	18.9
260.09982	0.5
297.09424	0.3
302.06943	0.7
302.10648	0.6
302.29614	0.3
311.01849	0.3
363.11084	0.5
369.15283	0.3
386.08948	0.8
404.10089	0.5
422.10648	0.4
422.18799	0.5
422.99210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34425	2.0
52.74158	1.9
53.03943	3.1
54.39073	2.0
55.01867	5.2
55.05520	14.3
56.20855	1.7
57.03453	10.5
57.07071	8.1
57.94613	1.5
60.99204	1.9
64.78917	2.0
67.05511	23.2
67.08073	2.0
68.02768	1.7
69.06743	2.4
69.07079	28.0
69.24506	5.5
69.24914	10.0
71.05000	2.4
71.08644	3.4
79.05502	17.1
81.07067	30.1
83.05003	3.7
83.08616	8.1
84.59841	1.6
85.06543	6.7
86.09688	4.4
91.05488	11.2
93.07064	24.8
95.04968	4.2
95.08617	25.9
97.06531	8.4
97.10182	1.9
98.01804	1.7
98.21534	3.3
105.07026	11.2
107.08586	24.7
109.06528	15.5
109.10168	11.4
110.07158	9.4
111.04434	5.3
111.08078	5.0
119.08579	10.8
121.06465	2.3
121.10143	11.5
123.08100	10.0
123.11691	2.7
125.06003	5.6
131.08623	3.6
133.10165	10.5
135.08073	31.0
135.11688	12.9
137.06021	16.4
137.09598	2.9
137.13275	2.9
137.63765	1.7
143.08583	3.1
145.10155	5.7
147.11694	5.9
149.09648	7.2
149.13248	5.9
151.07545	6.6
153.12743	4.1
154.94107	2.2
156.07695	2.4
159.11708	3.8
161.09625	3.0
161.13278	4.2
163.11261	3.3
163.14786	3.0
165.12816	4.6
167.14293	2.9
171.11690	2.1
175.14845	2.9
177.12729	9.3
179.14323	5.8
181.12239	9.0
184.07361	3.1
187.14880	3.1
191.14389	2.0
193.12386	2.9
193.15982	2.0
197.13057	2.0
206.91463	2.1
217.14351	2.2
221.18988	3.1
235.20621	2.6
263.20178	3.6
287.23679	2.3
305.24762	79.7
319.26340	23.7
329.24722	7.2
337.27301	3.5
347.25824	100.0
365.26938	10.8
393.30020	4.8
403.28583	5.1
421.29562	87.0
422.30145	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00813	1.0
55.01871	3.8
55.05523	8.5
57.03442	8.9
57.07084	30.3
58.09042	1.1
67.05506	13.5
69.07066	11.7
71.08667	1.5
71.45298	2.5
76.43472	1.3
79.05500	9.6
81.07063	27.8
83.04993	3.0
83.08632	4.1
85.06548	14.2
90.62277	1.2
91.05493	8.0
93.07055	16.5
95.04979	2.7
95.08614	19.0
97.06538	3.9
104.99236	1.2
105.07015	9.4
107.08604	15.4
109.06524	15.1
109.10171	8.1
111.04457	4.8
111.08092	3.3
117.07072	2.0
119.08596	10.5
121.06503	1.4
121.10145	7.4
123.08085	11.9
123.11732	3.6
124.99990	1.3
125.05981	3.0
125.09573	1.2
131.07510	1.3
131.08543	3.4
133.10173	6.9
135.08061	24.0
135.11705	4.1
137.05991	21.2
137.09634	1.9
139.07561	2.5
143.08612	1.2
145.10139	5.2
147.11711	7.1
149.09641	5.5
149.13231	3.1
151.07582	5.5
151.11143	3.8
153.12778	2.6
157.10179	4.0
159.11707	4.3
161.09639	3.4
161.13309	4.1
163.11154	1.4
165.12772	7.5
171.11700	4.0
173.13251	2.0
175.11234	2.0
175.14890	2.1
177.12749	7.6
179.14340	3.8
184.07358	3.8
185.13235	1.5
187.14844	2.3
191.14378	2.4
193.12257	2.3
207.13795	9.5
215.18117	1.5
229.69102	1.3
233.19025	3.0
263.20157	4.1
277.18011	1.4
277.21350	1.2
291.19659	1.3
305.24841	2.9
319.26376	9.7
329.24796	5.1
337.27344	4.0
338.96802	1.6
347.25839	100.0
348.26099	2.1
365.26923	20.9
393.29916	10.5
403.28857	3.4
409.44479	1.2
421.29538	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.8
55.01876	8.0
57.03432	5.4
59.22911	1.1
61.02924	5.3
68.99785	3.3
69.03432	31.4
70.06607	2.6
70.95023	2.7
71.04996	4.4
72.08148	2.5
73.02911	9.5
79.05478	1.3
81.03420	30.1
83.01387	1.2
84.08160	1.8
85.02907	100.0
86.03240	1.3
86.09744	2.4
87.00831	35.4
87.01361	2.1
91.03951	2.7
91.05476	10.3
97.02894	39.3
99.04451	14.8
103.03936	2.4
105.01869	44.9
105.07047	4.0
107.04966	2.7
108.04497	1.8
109.02879	30.7
109.06512	1.2
115.03940	1.6
117.01864	3.6
119.04936	4.1
123.04408	3.3
126.05479	1.3
127.03921	62.5
129.01833	4.8
129.06958	3.3
131.45442	1.3
133.06502	3.9
137.05182	1.6
137.05984	45.8
137.65579	1.1
145.04971	37.9
147.02888	4.2
147.04428	2.8
147.08098	1.8
149.05986	2.5
151.07536	13.9
153.06952	1.8
157.06522	3.3
157.28909	1.2
159.02899	23.0
161.05981	14.3
163.01323	1.2
163.07579	1.9
165.05475	8.0
171.02864	1.3
173.05959	1.5
175.07579	8.7
177.04045	1.8
177.05515	1.9
179.07047	37.0
185.06023	3.0
189.03989	10.6
192.10289	1.7
197.08139	2.0
199.07542	4.1
203.07048	13.0
210.11232	1.9
213.03940	2.8
217.08586	2.9
221.08107	20.5
227.07011	4.3
231.04968	12.4
245.08101	24.6
249.05951	2.8
263.09174	34.9
322.46414	1.3
323.11356	1.3
349.09219	10.4
367.10242	8.4
385.11172	1.7
402.17575	1.7
420.13577	1.4
420.18616	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
56.05027	1.8
57.03436	25.3
59.04985	4.6
60.04523	4.1
61.02930	2.5
65.03943	1.7
67.05480	2.0
69.03430	81.0
69.83469	9.3
70.06596	13.3
72.08167	10.3
73.02896	1.8
75.04528	2.0
79.05489	4.8
81.03431	3.2
84.04481	4.8
84.08139	9.8
85.02906	64.6
85.06531	4.2
86.09711	12.3
87.04473	56.8
87.10033	3.1
91.05484	100.0
94.16824	1.8
96.04515	2.1
97.02892	76.5
99.04446	4.2
103.05457	2.4
105.07024	5.6
107.04967	7.0
109.02910	2.0
110.07146	4.0
115.03931	82.3
116.07064	2.0
117.05466	2.9
117.07001	5.4
117.98404	1.5
119.04946	1.8
119.08525	1.7
120.08094	5.6
127.03939	9.7
129.07031	2.0
129.10233	4.9
131.04904	7.4
131.08611	2.6
133.04967	89.5
133.06511	5.4
137.05971	35.7
145.05014	12.2
145.06430	11.1
149.09608	2.1
150.07599	13.5
153.56714	1.9
161.04500	3.2
163.06107	3.8
163.07509	21.3
164.07083	3.0
167.06966	2.5
171.07996	1.9
175.07512	2.6
177.09126	10.5
186.64207	1.6
205.08633	18.9
209.11754	3.9
217.08658	2.2
223.06129	3.3
223.09654	28.8
227.12694	9.8
237.07529	1.9
241.07053	2.8
241.10745	4.9
253.10724	3.2
259.08124	7.1
277.09097	3.4
288.72031	1.7
295.10281	4.1
343.16446	1.9
420.14182	12.1
420.22391	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03935	1.1
55.01867	1.2
56.05028	0.9
65.03938	3.0
67.05499	1.5
69.03410	0.4
69.45900	2.6
69.77372	0.4
70.06591	8.7
71.01357	4.7
71.06932	0.9
72.08150	2.2
78.04713	0.5
79.05497	5.1
81.03420	1.3
84.04498	0.9
84.08157	2.6
85.02903	1.4
86.09705	3.9
89.03925	0.5
91.05476	2.0
93.03383	3.4
95.04977	3.6
97.02873	0.5
97.06563	0.7
102.05533	0.7
103.05476	0.8
105.03364	0.7
105.04514	0.5
105.07048	0.8
106.02942	1.1
107.04962	6.2
108.02100	2.4
109.02880	1.3
110.03652	1.7
110.07190	0.6
111.04445	2.4
113.07141	0.6
116.07098	1.3
117.03371	0.9
118.04166	3.1
119.04950	1.8
120.08093	2.9
121.02910	0.6
121.06514	1.9
121.08399	0.5
122.03671	0.7
123.04445	2.5
124.03975	1.1
124.05248	1.0
125.02485	0.5
125.05999	6.6
127.03907	0.4
127.08714	0.7
129.10251	1.0
131.04924	1.0
133.02850	1.9
134.03694	0.6
135.04422	9.4
136.01515	1.0
136.07594	0.7
137.02335	1.1
137.05983	6.5
141.05496	3.1
145.02733	0.4
146.03633	3.8
147.04420	5.6
149.05997	4.5
150.03140	0.6
150.06781	7.3
151.03912	100.0
151.04991	7.0
152.04550	0.8
153.05467	8.5
154.02606	1.0
161.05992	3.9
163.03918	5.3
164.04668	0.5
164.07031	0.5
165.05504	4.7
166.06244	1.9
167.03387	0.8
167.07057	7.7
169.04964	1.1
177.05498	7.0
178.06258	35.3
179.03326	0.6
179.06979	1.7
181.04968	4.6
184.03717	0.5
191.03474	0.7
191.06989	0.5
193.04965	0.5
195.06537	12.5
195.08266	0.7
196.07315	30.1
197.04446	2.9
202.20248	0.4
207.06595	0.6
223.05998	12.2
225.03954	5.7
225.07651	1.1
237.07437	0.6
240.07521	0.5
251.05478	0.5
269.06485	2.5
269.10587	0.5
303.12692	0.6
317.10797	0.4
339.75912	0.4
371.07895	0.9
385.13937	1.3
403.10330	0.7
403.15012	0.7
421.11362	2.0
421.15756	1.5
421.24597	0.5
445.09976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1348
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	0.8
56.05032	0.3
57.03439	1.0
60.04515	0.9
61.02944	0.5
68.55784	0.4
69.03438	3.8
69.95260	0.8
69.95650	0.8
70.06600	1.7
72.08174	1.6
74.06084	0.7
81.03420	0.6
84.04480	0.8
84.08135	1.3
85.02912	5.1
86.09718	1.5
87.00822	0.4
87.04502	1.8
97.02888	2.5
98.97586	0.7
105.01845	0.5
109.02903	0.9
110.03259	0.5
110.07178	0.7
115.03942	1.5
116.98620	0.4
119.86047	0.3
120.08096	0.4
127.03930	100.0
128.04276	1.0
129.10268	0.5
130.64183	0.4
133.04985	1.2
137.05977	1.0
145.04955	1.1
159.09099	0.4
180.07407	0.5
237.02864	0.5
246.08485	0.6
264.09607	0.3
273.08337	0.4
277.53159	0.4
289.09171	3.6
421.11331	1.1
421.16739	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	418.3318
Annotation	Olvanil
Peak:m/z	Relative Intensity
51.81875	0.1
53.03928	0.2
55.01851	0.1
55.05276	0.2
55.05516	2.9
55.76956	0.1
56.61507	0.1
57.07078	0.9
65.03944	0.8
67.05511	2.6
68.16018	0.1
69.07073	4.1
70.16315	0.3
70.16708	0.3
71.08618	0.4
79.05506	1.2
81.07059	2.7
83.08157	0.2
83.08621	2.4
85.06534	0.2
91.05486	14.3
93.07043	1.1
94.04171	0.1
95.08614	3.0
97.10174	1.0
98.98466	0.2
107.08592	0.5
109.06518	1.1
109.10156	1.1
111.08082	0.2
111.11743	0.3
119.04951	9.5
121.10184	0.8
123.11681	0.2
135.11702	0.6
137.05984	100.0
138.06323	0.8
149.13191	0.2
154.08636	36.9
155.01015	0.2
155.08980	0.3
186.62537	0.2
238.47069	0.1
247.24234	0.2
265.25275	0.4
282.27979	0.2
402.61560	0.2
404.29108	0.2
408.49872	0.2
418.33194	17.7
419.33307	0.4
424.15869	0.2
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	Unknow
Peak:m/z	Relative Intensity
55.01847	1.6
65.67902	1.9
69.03398	1.7
70.90712	4.9
72.74940	1.6
73.31402	1.8
78.04725	1.9
79.05497	4.7
81.03433	2.8
81.73926	1.8
86.16412	1.8
88.06379	1.7
91.02338	1.7
91.05499	2.6
93.07042	2.7
105.07030	2.3
107.04957	8.6
112.32269	1.9
115.05488	2.3
117.07072	3.5
123.04437	3.7
124.05212	2.4
131.08568	2.2
133.06551	2.3
144.05644	2.1
145.02814	4.1
145.06487	7.3
149.05986	1.8
151.36626	2.0
151.54744	2.0
156.05737	3.2
159.08069	4.9
167.03398	2.0
167.07036	52.1
168.07449	4.5
169.07677	2.6
173.05986	7.9
177.05457	13.1
181.02661	1.9
181.04967	4.5
187.07593	5.1
190.06239	2.1
190.35500	1.7
195.06596	3.2
205.08574	9.0
205.93506	1.9
207.06549	3.9
208.05203	14.8
209.08084	4.2
217.08577	13.8
218.07245	1.8
225.05377	2.1
226.06281	2.6
231.08115	2.2
232.08853	2.0
235.09598	2.0
236.04703	5.0
241.08536	2.8
247.07513	3.4
247.09703	10.5
248.08356	1.9
254.05795	8.9
263.10614	3.2
267.06589	3.0
269.08066	21.4
272.06918	2.8
282.05460	1.7
282.08810	4.1
285.07925	2.0
287.09177	2.2
291.10135	3.7
293.08224	3.2
297.07770	1.8
301.07410	1.8
310.08322	3.9
315.08624	65.6
319.09583	2.6
323.12964	5.0
330.10977	100.0
331.11490	4.2
336.09827	2.4
339.12091	4.3
343.11862	6.1
351.12234	8.2
352.12787	2.1
369.13254	6.0
383.14944	12.0
401.15903	6.2
435.75000	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
53.82024	0.8
55.01870	7.7
55.05506	0.9
57.03441	5.7
57.44416	0.7
61.02933	5.9
62.91263	0.7
63.54624	0.7
68.99793	2.4
69.03431	34.1
69.07056	1.2
69.28310	6.7
70.06590	6.5
71.04993	6.7
72.08152	3.0
73.02916	6.4
78.04697	1.0
79.05487	5.8
81.02933	1.3
81.03423	24.6
83.01318	1.0
83.04974	0.8
83.94196	0.7
84.04515	2.3
84.08143	6.6
85.02908	100.0
86.09718	5.8
87.00832	39.1
87.04451	1.3
88.03976	0.9
91.03958	1.2
91.05485	2.0
92.05799	0.7
93.07053	0.8
97.02892	29.1
99.04456	12.9
101.26795	0.7
102.05531	0.8
103.03948	1.0
103.05473	3.8
105.01870	59.0
105.07030	14.2
107.04982	1.9
107.36277	0.7
108.04491	3.3
109.02886	31.6
109.67816	0.8
110.07185	1.6
110.99394	0.8
111.09909	0.8
115.03938	1.2
115.05485	0.8
116.07104	0.9
117.01866	2.9
117.03403	1.7
117.07034	1.7
119.04958	1.7
119.08556	0.9
120.05715	2.7
120.08102	4.0
123.04430	2.1
126.05518	1.6
127.03921	61.0
129.01833	4.0
129.10248	6.4
130.04179	0.8
133.06494	0.8
134.86905	0.8
135.08060	77.6
136.08411	1.0
136.96219	0.8
137.06001	1.4
144.82414	0.7
145.02893	2.5
145.04965	30.9
146.06998	0.9
147.02902	2.3
147.08072	1.1
149.05986	1.0
149.09631	2.1
154.79785	0.8
159.02899	16.3
159.07985	1.1
161.05916	1.0
163.03891	0.8
163.07582	1.3
167.07051	13.4
167.33824	0.9
168.07399	7.8
171.02898	1.5
173.05977	1.4
174.06305	1.7
177.04047	1.3
177.05513	4.6
177.09071	8.5
181.05019	5.3
182.05367	2.8
189.03932	5.6
191.06981	4.2
192.07800	2.1
195.10220	1.2
197.09540	0.8
201.09227	1.4
201.12373	3.3
205.08563	1.1
208.04395	0.9
208.07233	0.9
213.03999	2.5
215.10643	0.9
219.10165	4.2
225.08977	1.1
230.06673	0.9
231.05002	23.6
233.08009	1.0
237.00742	1.6
243.10181	4.3
248.07666	2.8
249.06075	6.1
251.09180	1.3
256.22766	1.6
261.11224	5.2
262.33054	0.8
266.08746	1.0
301.10645	1.1
315.08710	1.2
329.10342	1.3
330.10928	1.4
347.11359	3.1
365.12265	1.9
388.14832	3.7
400.12180	1.8
409.83472	0.9
418.12015	1.5
418.15991	5.7
418.21466	2.1
418.27945	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1751
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	1.1
55.01877	1.6
55.05511	2.1
57.03440	1.4
57.07087	1.7
59.05008	0.6
61.02943	0.8
63.89310	0.4
65.03959	1.1
67.05506	4.3
68.99798	0.6
69.03432	8.9
69.07082	1.8
69.75009	0.4
70.06598	3.6
71.04996	3.2
71.51813	0.6
71.77032	0.3
72.08150	1.8
73.02928	1.0
78.04721	1.5
79.05492	2.3
81.03423	3.8
81.07056	5.4
83.04987	2.7
83.08631	1.5
84.08138	2.0
85.02909	10.5
85.06546	9.5
86.09718	3.8
87.00825	3.1
91.05482	2.3
93.03415	0.7
93.07061	1.5
94.76839	0.3
95.04981	2.1
95.08605	1.8
97.02896	3.2
97.06552	1.1
98.21622	0.4
98.97563	0.4
99.04464	1.9
100.07668	0.6
100.11265	2.1
100.31020	0.4
103.05475	1.0
105.01878	1.8
105.07035	1.1
106.04186	0.9
106.23054	0.3
107.04957	1.7
107.08605	1.9
109.02866	3.0
109.06524	3.6
109.10162	9.9
110.03699	0.5
110.05995	0.4
110.07156	0.6
111.04437	1.2
111.08095	2.2
113.06007	2.1
115.05465	2.1
116.98626	0.5
117.07031	3.1
119.04919	0.4
119.08585	0.9
120.08099	0.9
121.10152	3.0
123.04439	4.5
123.08084	1.3
123.11716	10.8
124.05209	1.9
125.02312	0.4
125.06010	0.5
127.03918	5.2
127.05413	0.6
129.10231	1.0
133.10120	1.1
136.08739	0.3
137.05988	1.1
139.11185	4.2
143.11671	0.5
145.02792	0.5
145.05009	1.1
145.06499	5.8
147.04401	0.9
147.08093	0.4
149.09529	0.5
151.03949	1.1
151.11200	6.6
152.04681	1.4
153.05559	0.6
153.12756	1.5
155.06044	1.7
155.07109	0.8
156.05745	0.5
159.02921	0.8
159.08005	0.4
160.93021	0.4
161.06026	0.6
161.09657	0.5
163.03908	0.5
164.65994	0.3
167.07048	58.3
168.07300	0.6
169.12244	100.0
170.12581	1.1
171.06461	0.4
173.06006	9.2
173.85384	0.4
177.05432	0.7
177.36916	0.3
181.03395	0.8
181.04964	12.3
182.15363	1.2
190.83414	0.4
191.07053	0.8
195.06540	0.6
201.05524	0.7
201.12411	0.9
205.08609	1.9
209.16406	0.6
210.14880	1.9
217.08696	1.0
218.05708	0.4
230.39114	0.5
231.04875	0.7
233.08095	4.7
235.09744	2.2
263.09332	0.4
265.08676	0.4
307.09680	0.6
333.07791	0.6
337.21445	0.5
381.23651	0.5
384.15604	0.4
387.14417	8.5
399.14230	1.0
399.24893	2.4
417.15717	24.1
417.32047	0.9
418.15735	0.6
423.15472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57468	0.4
55.05505	0.4
60.62616	0.4
65.03947	0.5
67.05515	0.7
69.03434	1.2
69.07072	0.8
70.06591	3.5
70.12894	1.6
72.08163	1.5
75.05578	0.4
78.04719	0.7
78.89531	0.4
79.05496	1.1
81.03426	0.5
81.07081	0.7
84.04550	0.5
84.08152	1.2
85.02914	0.9
85.06519	0.6
86.09710	10.1
88.04002	0.6
91.05489	0.8
93.07069	0.3
95.04954	0.8
95.08656	0.5
97.02884	0.8
97.06550	0.6
98.19531	0.4
98.97564	0.3
103.05480	0.8
105.07046	0.5
106.04186	0.4
107.04975	1.5
107.08611	0.6
109.10175	1.0
110.07198	0.5
111.04441	0.4
115.05453	0.8
116.07160	0.4
117.07035	0.9
119.08623	0.4
120.08105	0.6
122.94402	0.4
123.04465	1.4
123.08051	0.4
124.05247	0.5
125.05963	0.5
129.10304	0.4
130.80272	0.4
131.04996	0.4
132.10207	0.6
133.10112	0.6
134.06950	0.4
137.05998	0.6
137.09648	1.6
138.52078	0.3
141.10228	0.6
143.08624	0.5
143.10855	0.4
143.11784	1.9
145.06503	1.5
147.08044	0.4
152.04697	0.6
155.06068	0.8
156.10294	0.4
161.09593	2.2
163.07497	0.3
165.09099	2.3
167.07048	17.4
169.12262	1.0
171.11383	0.7
173.06000	3.3
175.06111	0.6
177.05510	0.5
181.04951	4.4
189.12416	0.6
191.07108	0.3
201.12405	2.7
205.08618	0.7
207.06602	0.6
207.10191	1.2
213.12482	0.6
217.08646	0.5
225.11151	0.6
229.11891	1.1
233.08171	1.4
235.09785	0.6
245.06302	0.6
247.13036	0.4
263.09363	0.4
285.12253	0.4
286.14059	0.6
289.05258	0.5
303.12915	0.5
373.14914	0.5
387.14368	2.7
391.89609	0.4
417.17459	100.0
418.17670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03934	0.5
55.01868	0.8
65.03943	2.8
67.05514	1.4
69.03412	1.0
70.56302	0.8
78.04703	2.6
79.05493	2.4
81.03406	0.5
81.07056	0.7
82.04184	1.2
83.04970	0.3
85.02910	2.0
91.05473	2.1
93.03390	0.8
93.07076	0.3
95.04959	1.7
96.01479	0.3
97.06516	1.1
100.37124	0.3
102.04678	0.5
103.05472	6.9
103.06152	0.5
105.03377	0.7
105.04516	0.5
105.07017	1.2
106.04174	2.2
107.04956	4.6
108.02067	0.5
109.02886	0.3
109.06532	0.6
109.07815	0.3
110.03672	1.5
111.04395	0.5
111.08079	0.3
114.03040	0.3
115.05452	3.5
117.06234	0.4
117.07017	5.5
118.04164	1.0
119.04932	0.9
119.08553	0.3
121.06514	0.8
121.10147	0.4
122.03655	0.5
123.04434	7.1
124.05225	2.8
125.05982	1.0
127.05429	0.8
128.06239	0.4
129.06985	0.3
130.04147	0.7
131.04021	0.5
131.04936	5.3
132.05685	0.7
133.02852	1.0
133.06487	1.2
134.03658	0.6
135.04358	0.5
137.05945	0.8
138.03099	0.9
142.02603	1.2
144.05710	0.5
145.06482	7.6
147.04366	0.4
147.07974	0.6
148.05205	3.9
149.05977	0.5
151.03893	1.8
152.04681	2.0
153.05435	0.8
155.06027	3.4
157.06511	0.3
159.04390	0.5
159.07990	0.4
161.05977	0.7
163.07553	5.9
165.09108	0.3
167.07037	100.0
168.07375	0.6
171.06561	1.4
173.05986	16.7
175.07515	0.8
176.04666	0.9
177.05476	0.5
179.06975	0.4
181.04958	44.6
187.03970	0.3
187.07468	0.6
189.05379	0.3
190.06255	0.4
191.07031	20.9
193.08672	0.7
195.06523	1.1
201.05481	1.2
205.08621	3.3
207.06448	0.4
207.10149	0.7
209.08180	0.5
217.08617	0.5
219.10220	1.2
221.08107	0.5
233.08063	7.6
235.07494	0.6
235.09618	4.2
245.08081	0.4
263.09210	1.0
323.08990	0.5
325.10901	0.5
339.12396	0.5
357.13443	0.5
367.11563	0.3
369.13150	0.3
371.14957	0.5
381.13449	0.8
385.12857	1.1
387.14371	13.5
399.14462	1.4
417.15424	38.0
418.15915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1543
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
50.00166	0.4
52.64149	0.4
53.03928	1.1
55.01862	1.3
60.47339	0.4
63.50456	0.4
65.03941	3.0
67.05491	1.3
69.03429	0.9
71.02791	0.8
71.03109	0.5
73.22277	0.6
78.04711	2.5
79.05492	3.8
81.03397	0.6
82.04173	1.2
83.07200	0.4
85.02888	2.0
91.05453	1.3
93.03398	1.0
95.04969	0.9
95.88486	0.4
96.26844	0.4
97.02869	0.6
97.06519	1.0
103.05469	5.3
105.07002	0.7
105.32365	0.4
106.04159	1.8
106.18568	0.4
107.04952	7.0
109.06506	0.5
110.03660	1.4
111.04442	0.7
115.05457	3.6
117.07015	4.8
118.04135	1.1
119.04921	0.6
122.03644	1.0
123.04427	6.8
124.05216	3.5
125.05995	1.0
127.05489	0.9
130.04123	0.4
131.04906	3.0
132.05719	0.5
133.06526	1.0
134.03589	0.8
135.08046	0.5
137.05963	1.3
138.03131	1.2
142.02609	1.0
145.06474	8.2
145.07527	0.8
147.08009	0.9
148.05186	2.9
151.03923	1.5
152.04677	2.9
153.05452	1.5
155.06046	3.5
156.97043	0.5
161.05991	0.7
163.07555	4.4
163.46225	0.4
167.07036	100.0
168.07414	0.9
171.06503	1.5
173.04459	0.8
173.05977	15.7
175.07581	0.6
176.04599	0.5
179.07076	0.5
181.04955	52.7
191.07034	15.0
191.08784	0.6
193.04996	0.5
195.06544	1.6
201.05537	0.5
205.08586	2.8
209.07957	0.6
217.08644	1.1
219.10156	1.1
225.07613	0.5
233.08093	7.5
235.09683	2.7
251.05992	0.4
263.09180	1.3
267.73862	0.4
267.89597	0.5
279.09610	0.4
329.10260	0.7
337.10806	0.8
343.11362	0.5
357.13046	0.7
367.11749	0.6
371.14792	0.8
381.13306	1.8
385.12680	0.9
387.14362	13.9
387.19275	1.0
399.14294	2.6
417.15445	37.0
418.15738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
52.79540	0.2
53.03942	0.4
55.01857	0.5
56.05014	0.3
60.92894	0.3
65.03930	1.0
67.05493	0.8
69.03417	0.8
69.07063	0.8
69.47722	0.3
70.06601	1.3
70.90144	0.7
72.08160	1.3
78.04711	2.9
79.05493	1.9
81.03410	0.7
81.07024	0.4
82.04196	0.3
84.08141	0.4
85.02907	0.8
86.09229	0.5
86.09713	7.6
88.04006	0.3
91.05502	1.2
93.03387	0.5
95.04987	0.7
97.02900	0.3
97.06555	0.4
103.05495	1.3
105.03384	0.3
106.04153	1.4
107.04955	2.5
109.02892	0.4
110.03695	0.5
113.02340	1.4
115.05454	3.0
117.07016	5.9
120.08093	0.5
122.03655	0.4
123.04432	6.1
124.05217	2.1
125.06027	1.0
127.03934	0.3
127.05435	0.7
131.04932	0.4
132.10211	0.4
134.03625	0.6
137.06007	0.6
138.03133	0.4
142.02655	0.4
143.04851	0.4
143.07028	0.5
143.11807	2.1
144.05733	0.4
145.05414	0.5
145.06502	7.9
145.07655	0.4
147.08064	0.5
151.03902	1.1
152.04686	2.1
153.05444	0.7
155.06041	3.7
167.07043	100.0
168.07361	0.6
171.06516	0.6
171.11383	0.5
173.05992	14.1
177.05519	0.4
181.04964	19.8
189.12408	0.3
201.05618	0.4
201.12334	1.5
205.08580	2.9
207.06474	0.3
212.09332	0.3
213.12593	0.3
217.15526	0.3
229.11871	0.5
233.08075	6.7
235.09657	3.1
245.07887	0.3
247.12894	1.3
387.14392	14.6
417.15454	37.3
418.15820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1548
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03937	1.4
55.01873	0.8
65.03940	3.2
67.05489	1.5
69.03417	0.6
70.84345	0.8
78.04725	2.8
79.05495	3.0
81.03413	0.9
81.07033	0.8
82.04185	0.9
85.02914	1.9
91.05453	1.7
93.03397	0.8
93.07014	0.5
95.04967	1.6
97.06540	0.9
103.05469	5.6
105.03368	0.6
105.07014	0.8
106.04166	1.7
107.04970	4.6
108.02097	0.9
110.03656	1.4
111.04439	0.8
115.05463	3.6
117.07017	6.0
118.04173	1.2
119.04948	0.5
120.02043	0.5
120.36736	0.4
121.06448	0.6
122.03619	0.6
123.04438	6.3
124.05203	2.7
125.05993	1.2
127.05447	0.8
130.04114	0.6
131.04926	4.5
133.02806	0.5
133.06444	1.0
134.03641	0.6
135.08022	0.6
137.06017	1.1
138.03072	0.9
142.02599	0.8
143.04938	0.6
144.05746	0.7
145.06488	7.8
147.07994	0.5
148.05202	3.1
149.06006	0.5
151.03894	1.6
152.04662	1.4
153.05443	1.3
155.06030	3.9
161.05995	1.4
163.07553	5.2
167.07045	100.0
168.07451	0.8
171.06555	1.2
173.05998	15.8
175.07573	0.6
176.04588	0.7
177.05571	0.8
181.04967	41.9
182.05292	0.5
182.37788	0.4
191.07047	16.5
195.06523	1.1
197.48787	0.4
198.60536	0.4
201.05403	0.9
205.08617	3.1
207.10173	0.5
209.08122	0.5
209.79520	0.4
212.30086	0.4
217.08598	1.1
219.10245	0.8
220.36203	0.4
221.08272	0.4
233.08089	7.3
235.09683	3.5
241.08536	0.5
263.09167	1.0
329.10226	1.1
357.13263	0.7
367.11703	0.5
381.13425	0.8
385.13007	0.8
387.14429	14.7
399.14407	1.2
417.15448	39.9
418.15692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
50.97866	0.4
53.03941	0.9
55.01874	0.6
55.05507	0.6
56.70448	0.5
64.00017	0.4
65.03944	2.2
67.05498	1.1
69.03429	0.5
69.77021	2.1
78.04713	2.9
79.05489	2.8
81.07067	0.8
82.04192	0.9
84.07504	0.4
85.02894	1.7
91.05476	1.9
95.04964	1.4
97.06524	0.9
100.11250	1.1
103.05486	4.7
105.04528	0.4
105.07050	0.9
106.04169	1.7
107.04955	4.7
110.03641	1.6
115.05466	3.8
117.07037	5.9
118.04166	1.2
119.04916	0.6
119.08597	0.5
121.06524	0.8
123.04410	6.2
123.05222	0.6
124.05218	3.1
125.06010	0.7
127.05428	0.9
130.04057	0.7
131.04935	3.9
132.05727	0.6
133.06511	0.9
134.03619	0.8
136.44357	0.4
136.58911	0.5
137.05940	0.7
138.03134	0.5
138.74854	0.4
142.02623	0.8
145.05432	0.6
145.06497	8.3
147.08054	0.6
148.05177	2.7
151.03900	1.2
151.07457	0.5
152.04698	2.1
153.05466	1.2
155.06062	3.9
158.01187	0.4
161.05983	0.8
163.07561	3.8
167.07045	100.0
168.07402	0.8
171.06540	1.6
173.05995	14.4
174.06447	0.5
175.07600	0.4
176.04732	0.6
177.05470	0.7
181.04965	42.5
182.15451	0.7
187.07669	0.7
191.07043	14.7
193.08543	0.5
195.06566	1.3
205.08597	3.1
207.06639	0.6
209.08131	0.8
209.16516	0.6
210.14861	1.0
217.08675	1.0
219.10139	0.8
221.08078	0.4
233.08096	6.9
233.23247	0.5
235.09631	3.7
242.14780	0.4
263.09207	0.7
304.43994	0.4
325.10614	0.6
329.10245	1.4
339.12509	0.5
367.11661	0.8
381.13446	0.9
385.13040	0.9
387.14404	13.1
387.19263	0.8
399.14297	1.6
417.15472	36.5
418.16092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99870	0.7
68.98304	0.4
69.07072	1.6
70.06580	0.7
70.12087	1.2
76.76577	0.4
77.00913	1.0
84.08137	0.3
86.09708	26.2
97.06519	0.3
100.03635	0.3
107.05978	0.3
124.06059	0.7
126.07643	1.6
128.05579	0.5
130.03522	0.6
131.01877	0.7
132.10182	1.0
142.07158	5.3
144.08693	4.5
154.07091	2.7
155.05521	0.6
160.08211	4.4
162.09760	3.3
172.08191	21.4
173.06596	2.3
174.09798	1.4
189.10872	0.7
190.09241	3.7
191.07657	2.1
195.09904	0.4
198.09799	0.4
207.11894	1.0
208.10274	1.7
209.14957	0.4
226.09305	0.4
227.16122	0.5
228.09369	0.4
239.16052	2.8
240.14413	2.8
241.17778	0.3
242.15808	0.4
249.14491	0.5
252.13292	0.4
255.15555	1.3
257.17142	7.0
258.15543	1.3
267.15543	2.5
268.13910	1.0
273.16583	1.1
275.18146	5.2
285.16586	28.4
286.14783	2.1
303.17654	100.0
304.17963	1.7
321.18698	5.6
326.19284	1.4
416.25894	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3161
Annotation	Myxalamid A
Peak:m/z	Relative Intensity
53.03946	0.3
55.05513	2.0
57.07069	0.4
57.16827	0.1
65.03934	1.1
67.05506	6.9
69.07069	2.0
70.40401	0.1
71.08623	0.3
71.34374	0.3
78.03430	0.1
79.05497	2.0
81.07059	7.0
83.08624	1.3
86.06075	0.2
91.05483	15.3
93.07041	1.6
95.04919	0.2
95.08609	4.7
97.06548	0.5
97.10172	0.5
98.21224	0.2
99.08105	0.2
105.07038	0.8
107.08601	1.1
109.06506	1.0
109.10159	1.8
113.09658	0.1
119.04943	9.6
119.08562	0.7
121.10161	1.0
123.11708	0.6
133.10141	0.7
135.04369	0.2
135.11690	0.4
137.05980	100.0
138.06291	0.6
142.64754	0.1
147.11710	0.3
149.05948	0.1
149.13268	0.2
152.07057	1.1
154.08633	35.5
161.13281	0.5
163.14851	0.3
172.02325	0.1
175.14824	0.3
179.18037	0.2
180.06601	0.5
204.12915	0.1
222.11339	0.2
222.31947	0.1
236.12810	0.1
245.22641	0.9
250.14525	0.2
263.23654	0.6
278.17819	0.2
280.26477	0.2
290.17435	0.1
320.22336	0.2
346.24136	0.1
408.30670	0.1
416.31592	14.0
417.31879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3209
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
50.91596	1.9
53.03965	2.1
55.01866	4.1
55.05518	16.6
57.07066	6.3
59.04994	5.6
60.65656	1.9
67.05508	17.7
67.43661	1.8
69.07069	10.3
69.44224	13.9
71.05000	4.5
79.05492	9.2
81.07054	29.7
83.04974	3.3
83.08640	5.1
84.42652	2.0
85.06512	3.3
89.06073	3.4
91.05474	16.6
93.07045	40.1
95.08607	59.9
95.09184	4.4
97.06518	2.6
97.10150	3.2
99.04461	6.5
101.06016	8.1
105.07033	33.1
107.07873	4.6
107.08591	71.6
109.10162	34.8
117.07008	7.2
119.08588	81.7
121.06509	3.5
121.10136	45.3
123.11708	7.9
131.08586	12.8
133.10139	51.3
135.04373	2.4
135.08047	6.9
135.11693	100.0
137.05894	2.2
144.09302	2.5
145.10123	24.6
147.11696	34.0
149.13242	16.4
152.07072	5.0
153.09171	3.4
157.10086	2.7
159.11696	26.1
161.13237	17.3
163.11174	12.5
163.14833	4.2
165.12761	2.7
171.11700	4.9
173.13191	13.9
175.11189	2.8
175.14874	10.0
177.12738	43.1
177.16406	3.8
181.12204	13.1
183.79266	2.2
185.13254	2.8
187.14857	18.4
187.40013	2.2
189.12781	3.4
189.16354	19.1
191.14342	3.7
191.18027	2.9
193.12280	7.9
193.15918	2.4
195.12000	4.1
195.13797	72.4
197.13310	2.3
199.14763	3.8
201.16399	46.6
201.18262	3.4
203.17914	22.8
207.13824	17.6
209.15364	12.2
213.16324	2.2
215.17915	11.1
217.19321	2.4
219.17508	11.6
235.16696	2.2
289.21680	7.7
313.21857	2.5
379.29901	9.5
397.30969	56.9
397.35876	3.4
415.32376	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71591	0.2
53.03943	0.3
53.22451	0.2
64.35910	0.2
65.03924	0.2
67.05497	0.4
67.27712	0.2
69.03413	0.4
69.42873	1.3
72.08196	0.2
79.05490	1.0
80.61155	0.2
81.03413	0.3
81.07042	0.5
91.05485	6.8
93.07048	0.7
95.04928	0.2
95.08601	0.4
97.02951	0.2
98.20762	0.4
98.97597	0.4
103.05473	0.8
104.06260	0.7
105.07068	0.4
107.08630	1.6
109.06527	0.2
109.10139	0.5
115.05465	0.3
117.07024	2.2
119.08588	100.0
120.08897	0.6
121.10103	0.3
131.08620	0.2
133.06494	1.4
133.10130	0.2
135.08066	1.2
137.38429	0.2
139.62964	0.2
147.11690	0.2
159.11806	0.2
166.45584	0.2
261.22192	0.5
262.17648	0.2
264.05157	0.2
313.33966	0.2
396.04175	0.2
415.21088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1388
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
53.03952	4.2
55.01871	0.9
55.05520	0.8
56.05012	0.8
57.03429	1.0
58.20349	0.6
65.03943	7.2
67.01881	0.6
67.05489	2.2
69.03439	3.9
69.07066	1.3
70.06598	9.0
70.75458	1.0
72.08171	4.2
73.02914	1.3
74.06069	0.9
77.03936	0.7
78.04713	1.0
79.05498	20.4
80.08659	0.6
81.03410	2.7
81.07044	2.6
81.65587	0.6
82.04192	2.3
83.05016	1.3
83.11485	0.7
84.04487	2.3
84.08135	2.5
85.02908	7.2
86.09711	9.8
91.05459	3.8
93.03400	1.7
93.07048	1.4
95.04973	5.3
97.02884	2.9
97.06527	2.7
98.97584	0.7
102.05528	0.9
103.05467	2.1
105.04502	1.3
105.07008	0.8
106.04152	1.3
107.04958	49.0
107.08593	0.7
108.02088	1.2
109.02930	0.7
109.06554	1.2
110.03658	2.7
110.07165	1.7
111.04486	3.0
111.08064	0.8
112.40516	0.6
115.03941	1.3
115.05465	3.4
116.06338	1.1
116.07092	5.1
117.03377	0.8
117.07018	10.1
119.04967	0.8
119.08549	1.2
121.02870	4.0
121.06517	1.3
122.03650	1.6
123.00745	0.6
123.04430	2.8
124.04377	0.7
124.05222	8.6
125.06013	5.4
126.24490	0.6
127.03909	1.5
129.05499	1.1
129.10277	1.9
131.04927	1.7
131.08603	1.0
133.04988	0.7
134.05281	0.9
135.04402	0.9
135.08041	1.5
136.07570	0.7
137.02353	0.8
137.05995	2.1
138.03113	1.7
139.07529	1.7
142.02620	2.4
143.04938	1.2
144.05699	1.6
145.02834	1.4
145.04932	0.8
145.05147	0.8
145.06491	11.7
147.04344	1.0
149.05959	2.6
149.09584	0.8
151.03909	1.7
152.04688	5.8
153.05476	3.1
155.04907	0.9
155.06055	2.7
159.07796	1.0
161.05943	1.0
163.03915	2.5
163.07547	1.8
167.07043	100.0
168.07440	0.8
171.06505	2.7
172.05217	1.5
173.06027	6.2
175.05927	0.7
177.05489	2.0
177.09105	1.7
181.04955	62.2
187.07210	1.7
190.06233	1.5
191.06992	1.2
195.06541	23.3
195.10155	1.3
201.03548	1.0
201.05457	16.3
205.08607	12.5
215.14008	0.8
217.08569	1.6
218.05721	1.0
223.09703	0.8
233.08076	26.1
261.07529	1.8
279.06729	0.7
312.09125	0.9
327.12222	1.4
337.10556	0.7
345.13187	1.0
355.11746	1.4
369.13147	0.6
383.11194	0.9
387.14404	49.3
388.14362	0.8
397.12738	0.8
415.13840	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	414.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.9
59.65193	4.4
67.05492	16.4
68.37829	4.5
69.07062	8.8
71.08633	16.3
71.52010	7.4
72.08140	11.3
79.05490	11.2
81.07053	17.5
83.04972	5.2
83.08655	5.7
86.09702	6.8
89.55742	4.0
91.05466	11.4
92.69962	4.6
93.07037	22.6
93.66801	5.0
95.08607	18.7
99.08088	6.9
107.08617	11.0
109.10204	4.6
109.68806	4.6
118.46433	4.4
119.08586	14.6
121.10143	9.4
135.11711	11.3
141.66866	4.3
148.17178	5.3
149.13394	5.0
151.11098	6.1
154.94165	7.2
172.13383	7.7
172.95282	9.9
179.14268	30.9
186.14772	4.5
217.10094	4.9
225.69225	5.0
277.21756	21.6
320.79578	5.5
351.25308	100.0
367.31592	4.7
396.29446	5.7
414.30573	5.9
435.58249	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66750	4.0
70.06593	3.1
71.01525	4.1
118.08668	4.3
135.11172	3.8
140.06851	8.2
141.07216	3.7
156.04207	42.4
163.03906	4.3
166.07231	4.7
199.49020	3.3
274.82208	3.4
301.24258	3.0
415.09985	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49220	2.9
55.05497	2.8
56.96571	13.9
57.50600	2.8
60.29616	2.4
69.03433	7.9
69.07067	3.1
69.89019	8.7
69.89427	5.7
70.06599	32.1
71.06976	2.8
72.08157	18.9
81.03405	5.3
84.04514	7.5
84.08150	12.0
85.02901	9.0
86.09717	15.4
89.10806	4.9
97.02892	7.4
98.06062	7.8
98.20872	4.2
98.97585	34.4
102.05540	2.6
110.05990	3.1
110.07172	10.1
110.97577	6.8
114.09220	3.7
115.08700	3.2
116.07118	4.4
116.98631	12.9
118.08719	3.8
119.04968	3.4
127.03921	2.8
128.98607	5.2
129.10271	4.1
134.99634	3.8
135.04454	4.9
136.06195	4.0
137.05989	10.4
142.06136	3.3
142.80896	3.1
143.00183	3.8
145.02870	3.9
146.99667	2.9
147.04411	4.7
150.05461	3.2
152.05708	12.4
161.01331	4.4
163.03873	14.5
164.04282	15.1
166.07372	3.1
166.08676	3.8
177.00818	3.4
179.07069	3.1
193.46068	2.8
214.96452	3.3
219.01807	11.0
229.00233	7.3
237.02859	12.1
247.01263	2.9
251.13985	4.5
252.14307	10.2
265.06326	3.6
274.64261	3.1
277.03815	5.7
284.12598	3.4
289.59091	3.1
295.04907	4.7
353.12689	10.7
355.03448	4.4
373.04468	10.0
415.10034	100.0
415.18719	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	414.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87138	1.1
55.05505	5.4
56.05040	40.3
57.07067	2.3
61.01152	21.4
66.56283	1.3
66.92033	1.4
67.05502	4.5
69.07067	5.6
70.81866	2.0
70.82197	2.2
74.06065	1.9
75.91163	1.4
81.07079	7.4
83.08617	4.8
87.02700	2.7
93.07027	2.0
95.08611	5.2
97.10152	3.0
102.05559	7.4
104.05337	79.7
107.08615	1.5
109.10141	3.8
112.44360	1.3
117.18819	1.2
119.08570	5.7
121.10130	3.4
133.03194	39.3
135.11726	2.2
150.05850	100.0
209.16106	1.5
265.25281	1.8
320.29510	2.7
349.49005	1.5
366.30020	14.9
368.29819	2.1
414.32993	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	414.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
56.96563	7.0
60.33126	3.5
67.05496	19.5
69.07072	6.6
70.76808	7.6
71.08634	7.6
72.58154	4.0
77.64397	3.9
79.05496	13.0
81.07077	20.2
86.09721	10.2
91.05466	31.1
93.07056	15.3
95.04942	4.2
95.08612	14.0
97.25452	3.7
102.56785	4.2
104.10744	8.8
104.94824	3.9
105.07059	5.9
107.08596	10.8
109.10178	4.2
119.04942	8.2
119.08589	99.6
121.10146	11.3
129.52454	8.5
135.11717	7.7
137.05988	100.0
138.52974	6.3
149.13229	4.5
151.11269	4.7
152.07048	6.7
154.08650	31.4
157.53777	12.1
159.11723	5.9
169.04712	4.2
179.14340	11.5
184.07375	9.7
266.64066	17.6
277.21643	11.8
291.55118	4.3
351.25284	57.7
414.30237	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	414.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65208	0.2
52.74463	0.2
53.03939	0.4
55.01868	0.4
55.05499	0.3
57.03419	0.5
57.95404	0.2
61.02919	0.8
63.02373	0.2
69.03433	1.7
69.71895	0.8
70.06594	4.0
71.04987	0.2
71.06920	0.3
72.08157	4.8
73.02925	0.3
73.06540	0.6
74.06100	0.2
75.05557	0.2
79.05480	0.5
81.03424	0.9
84.04491	0.7
84.08144	1.3
85.02911	6.3
86.09715	1.9
87.04476	0.4
88.03955	0.2
89.03922	2.4
90.09197	3.0
91.03973	0.2
91.05464	0.2
97.02898	2.4
98.21498	0.3
98.97591	0.2
99.04471	0.4
102.05527	0.4
107.04950	1.3
109.02873	0.6
110.02454	0.3
110.07175	1.5
111.02718	0.2
116.07083	0.6
117.03384	4.8
119.66029	0.2
120.08117	0.4
127.03910	1.3
129.10236	0.5
135.04424	10.2
136.06192	0.7
136.07568	0.3
141.06670	0.2
145.02856	9.6
145.04887	1.5
156.07703	0.2
163.03908	100.0
164.04225	1.5
164.07120	0.3
165.04463	0.5
166.04982	0.2
174.09309	0.2
176.08163	0.3
177.05507	1.6
186.08820	0.3
194.16165	0.2
220.12016	0.3
229.15469	0.3
244.12846	0.2
249.09769	0.4
252.12341	2.8
269.83228	0.2
325.09152	1.9
414.12009	0.4
414.17407	2.6
414.26022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3004
Annotation	Metachromin S
Peak:m/z	Relative Intensity
53.03942	0.3
55.01873	0.3
55.05510	1.6
57.07066	0.5
63.02379	0.2
65.03931	1.1
67.05504	6.3
69.07072	1.3
71.21629	0.2
71.21973	0.3
79.05492	4.2
81.07056	7.0
83.08617	0.7
86.06027	0.2
91.05481	17.1
93.06481	0.3
93.07045	4.7
95.04961	0.5
95.08605	4.7
97.06512	0.2
105.07022	1.6
106.70379	0.2
107.04963	0.3
107.08601	2.6
109.06523	1.1
109.10157	2.5
117.07006	0.6
119.04944	9.7
119.08598	1.3
121.10139	1.9
123.11697	0.9
131.08565	1.1
133.10132	0.7
135.04471	0.2
135.11656	1.2
137.05975	100.0
137.13208	0.4
138.06317	0.7
145.10123	0.7
146.82219	0.2
147.11676	0.5
149.13251	0.9
152.07053	1.5
154.08629	32.3
155.08972	0.2
159.11716	0.6
161.13306	0.4
163.14790	0.5
173.13297	0.6
177.16438	0.6
180.06537	0.4
187.14821	0.4
195.37987	0.2
201.80133	0.2
236.12817	0.3
243.21092	1.0
250.14430	0.3
261.22134	1.3
264.16016	0.4
271.15353	0.2
276.15848	0.2
278.17496	0.4
292.19080	0.5
306.20593	0.3
316.18835	0.2
320.22153	0.3
324.53302	0.2
332.22131	0.3
334.23822	0.2
344.21970	0.2
414.30029	6.9
418.42548	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05516	43.3
57.03446	15.6
57.07082	39.8
59.05003	1.7
67.05511	13.6
69.07075	50.1
69.38963	1.2
69.60625	4.6
69.61033	3.0
71.04972	1.5
71.08636	25.4
72.08180	1.5
79.05497	8.1
81.07065	23.1
83.04966	1.7
83.08154	2.6
83.08625	35.6
85.10188	11.6
91.05521	1.3
93.07042	10.5
95.08614	24.1
96.09599	1.2
97.06541	8.9
97.10175	24.3
99.08077	2.3
105.07084	1.5
107.08586	8.9
109.10178	8.6
111.08097	4.6
111.11739	9.3
115.07632	2.6
121.10153	9.8
123.11724	4.3
125.09652	5.0
133.10129	1.6
135.11703	11.5
139.11214	3.6
143.10704	2.0
149.13289	7.9
153.12772	4.4
157.12192	1.5
163.14835	3.5
167.14348	3.4
177.16403	2.4
181.15898	2.3
191.17982	3.0
195.17496	2.3
205.19675	2.5
218.89758	1.5
261.26031	1.6
303.30615	4.9
321.31534	12.4
395.35190	14.8
413.36371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
57.02039	0.5
57.03426	0.6
61.02934	0.8
69.03426	1.5
69.97403	2.3
70.06582	1.9
72.08163	9.7
73.06567	5.4
74.76688	0.4
76.30579	0.4
81.03416	0.8
84.08157	0.7
85.02915	4.4
85.64073	0.4
86.09698	0.7
89.03929	4.0
90.09202	34.0
91.05453	0.4
97.02876	2.0
107.04950	1.3
109.02899	0.6
110.07169	0.7
116.07066	0.5
117.03395	6.8
127.03955	0.7
135.04425	12.8
137.05966	0.6
145.02861	12.3
145.04843	0.6
163.03920	100.0
164.04288	0.9
186.11589	0.5
240.16364	0.4
252.12338	25.2
289.78531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2149
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.01890	0.4
55.05499	0.4
56.03268	0.4
58.57363	0.4
62.24892	0.4
64.69186	0.3
67.05511	0.6
69.07072	0.4
70.02969	0.4
70.06596	5.4
71.04993	0.6
72.08170	2.1
74.06088	0.4
75.72311	0.3
79.05495	0.6
81.07043	0.7
84.04498	0.9
84.08147	1.5
85.02912	1.2
86.09705	3.2
91.05478	0.9
91.49954	0.4
91.54179	0.3
98.97550	0.6
102.05542	0.5
103.05463	0.6
105.07059	0.5
110.07173	1.2
111.04483	0.3
116.07061	0.5
117.03407	0.5
120.08108	1.8
121.08414	0.4
127.03921	0.4
129.10237	0.9
131.04935	0.7
135.04408	0.4
137.06015	0.7
143.00206	0.5
145.02869	0.6
163.03955	1.5
164.04279	1.0
177.05417	0.8
184.07437	0.7
203.05316	1.5
229.15436	0.6
235.10815	0.6
236.11153	0.7
249.10175	0.4
249.31702	0.4
252.18314	0.4
317.06708	1.0
340.06421	0.5
413.21536	100.0
414.21957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37170	1.4
53.03952	2.4
54.08177	1.7
54.80958	1.8
55.01889	3.5
55.05515	100.0
57.03426	2.3
57.07077	2.1
57.48011	1.4
61.66710	1.7
62.00284	1.4
65.03919	1.7
67.05508	31.6
69.03431	2.1
69.07072	25.1
69.50861	11.6
71.04996	4.4
72.72400	1.5
73.06570	1.5
79.05497	21.6
81.07059	34.0
83.04991	5.2
83.08623	74.2
85.06531	3.0
91.05482	10.3
93.07051	30.3
95.04987	2.6
95.08611	26.6
97.06546	8.2
97.10168	13.4
105.07042	8.8
107.08600	20.7
107.96456	1.4
109.06534	2.3
109.10159	16.0
111.08089	2.4
111.11744	2.4
117.07032	3.8
119.08598	10.2
121.10152	24.4
123.08080	17.0
123.11703	3.8
125.09634	12.0
131.08582	5.4
133.10130	9.3
135.11691	18.7
137.09634	5.3
137.13275	3.9
139.11185	8.6
145.10144	4.8
147.11737	4.9
149.09601	1.6
149.13293	4.7
151.07561	3.8
153.12730	9.2
154.94200	2.4
157.10112	1.7
159.11716	2.7
161.09666	2.6
161.13306	4.8
163.14807	2.1
171.11729	3.6
172.95200	2.3
173.13261	2.2
175.14845	5.4
177.12708	1.7
181.12189	3.6
185.13365	2.5
187.14870	1.7
189.11284	4.6
189.16386	1.7
203.12756	2.5
205.51866	1.8
213.16379	2.1
225.83786	1.8
231.21107	2.9
241.19629	4.2
249.22200	6.7
259.20596	9.7
277.21646	55.5
278.22256	1.5
282.37997	1.5
295.22696	89.6
313.23734	5.9
413.34207	4.6
433.22549	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20846	0.3
53.89367	0.3
59.19803	0.3
60.27978	0.3
62.28282	0.3
69.03425	1.3
70.06589	1.8
71.45040	0.3
72.08160	13.7
72.31722	0.3
79.05501	0.8
81.03429	0.4
84.04487	0.3
84.08141	1.2
85.02920	2.3
89.03923	2.9
89.10805	5.3
97.02889	1.1
98.06059	0.4
98.97568	0.2
107.04944	2.0
110.07161	0.9
115.08718	0.6
116.29754	0.3
117.03394	6.5
120.08089	0.8
127.03923	0.9
135.04425	13.1
137.06004	0.5
145.02859	12.6
163.03914	100.0
164.04312	0.8
164.07103	0.4
206.11774	1.7
223.14354	0.6
234.11302	5.1
251.13918	15.4
325.09198	0.7
341.28918	0.3
396.16534	1.5
413.19214	38.9
414.19345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03418	0.4
63.02341	0.4
65.62988	0.3
69.03419	1.2
69.82530	1.1
70.06573	1.1
72.07763	0.6
72.08155	11.9
79.05493	0.4
80.71159	0.3
81.03380	0.3
84.08147	0.6
85.02906	3.5
89.03913	3.5
89.10273	0.5
89.10793	6.6
97.02877	0.7
98.06065	0.5
98.20837	0.3
100.55838	0.3
102.45848	0.3
106.25436	0.3
107.04955	1.4
109.02869	0.3
110.07153	0.5
114.09181	0.3
115.08677	1.0
117.03378	6.2
121.02843	0.3
127.03892	0.7
135.04416	12.3
145.02847	11.8
145.04005	0.3
145.04782	0.5
148.04695	0.3
163.03900	100.0
164.04272	0.7
215.13928	0.3
224.15469	0.3
234.11244	6.2
234.13403	0.5
251.13918	20.4
307.08273	0.5
325.09393	0.6
329.15027	0.8
377.17014	0.4
396.16391	1.5
413.19180	25.1
414.19836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.223
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
53.03925	0.3
55.05518	3.3
57.05823	0.3
67.05485	0.3
69.03422	0.5
69.07043	0.4
69.15559	3.1
70.06596	4.1
72.08160	35.6
75.31673	0.3
79.05493	0.5
81.07066	0.4
82.06583	0.4
84.04514	0.5
84.08154	1.9
85.02908	0.5
85.21772	0.3
86.09714	1.8
91.05504	1.0
93.07050	1.3
95.08603	0.3
100.07615	0.4
100.11253	1.0
103.05457	2.4
105.07066	0.5
107.04990	0.3
109.02863	0.3
110.07166	1.2
112.07594	0.3
116.07095	0.3
120.08112	100.0
120.60044	0.3
121.08443	0.6
129.10245	1.2
131.04913	0.6
132.08133	0.4
135.98831	0.3
137.05980	0.4
141.11464	0.3
155.08328	0.3
163.03886	1.1
166.08653	3.4
174.12820	0.4
177.05403	0.6
182.15482	0.6
207.76208	0.3
210.14830	1.0
216.06895	0.3
219.14940	40.0
220.15173	0.3
247.14435	15.4
265.15500	2.9
331.74411	0.3
412.17624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28969	0.4
55.05523	3.2
55.18989	0.5
56.05040	42.8
57.07089	0.8
58.06592	0.5
61.01155	22.6
62.05421	0.5
65.03940	0.5
67.05511	15.0
69.07077	3.6
71.08630	1.1
74.02447	1.4
74.06073	2.0
79.05494	4.8
81.07064	14.7
83.08611	2.5
84.04517	1.3
85.02914	1.1
85.10169	0.7
85.90379	0.4
87.02694	3.9
91.05486	3.1
93.07047	4.4
95.04993	0.6
95.08616	12.0
97.06541	1.0
97.10184	0.9
102.05551	8.6
104.05338	75.8
105.07040	1.6
107.08600	3.1
109.10152	4.1
119.08604	1.4
121.10145	2.4
123.11706	2.0
133.03200	42.0
133.10141	2.5
135.11699	1.4
147.11700	1.2
149.13261	0.7
150.05850	100.0
151.49716	0.5
155.01060	0.7
156.06575	0.7
161.13306	0.7
163.14899	0.7
175.14746	0.6
216.18274	0.5
230.18983	0.5
245.22665	2.2
263.23752	1.3
318.27905	5.5
364.28458	17.4
365.28384	0.6
366.28256	3.2
394.27664	0.7
412.28806	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	413.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52052	1.4
53.03939	2.5
55.05520	1.8
62.21565	1.4
67.05511	3.4
69.03430	1.7
69.07063	2.7
70.06592	3.2
71.52174	2.2
78.04707	1.5
79.05497	12.5
81.07052	4.5
85.02898	1.9
91.05492	4.5
93.07040	2.8
95.04973	3.0
95.08610	2.5
98.97629	1.6
103.05478	5.4
105.03355	2.0
105.07024	10.7
107.04959	21.8
107.08607	2.9
109.06470	1.7
109.10141	1.5
115.05466	2.7
117.07046	1.7
118.04171	2.2
118.95743	1.5
119.05038	1.8
119.08575	3.4
121.10164	2.1
123.04415	7.4
123.08095	1.5
124.05212	5.4
125.06002	2.3
125.09558	1.5
128.06232	5.3
129.06978	1.6
131.04929	9.5
133.02809	2.2
133.06502	3.2
133.10135	2.9
135.11710	2.4
137.05978	2.2
145.50516	1.6
147.04393	1.8
152.04694	2.4
156.05763	1.8
159.08047	2.9
159.11705	2.0
160.05215	2.1
161.06010	4.1
167.07043	100.0
168.05699	2.0
171.08043	3.1
171.11722	1.9
173.05957	2.6
175.07597	3.0
175.14838	1.6
176.04729	3.6
177.05511	1.9
179.07082	2.5
179.08565	1.9
184.05212	4.7
189.06955	2.8
190.07782	5.7
191.07016	29.5
191.08499	2.0
197.10114	1.6
199.07555	34.1
202.07747	3.1
203.08653	7.1
205.10133	1.6
215.08519	9.4
218.07240	10.0
219.08015	4.5
220.09219	1.7
229.06456	3.1
231.08063	6.4
232.08888	5.3
233.09642	15.9
235.07591	3.1
236.08168	2.1
243.08133	2.2
246.06952	7.0
247.07413	3.8
249.09177	4.7
250.09911	3.4
257.06058	2.4
259.07571	4.1
260.08386	4.7
261.09131	23.6
263.07077	5.3
264.07834	2.2
265.12164	2.1
273.09070	2.2
274.06226	6.0
275.06979	4.1
275.10416	1.5
277.08624	4.1
278.09369	6.1
288.07697	2.0
289.08603	37.8
290.09299	10.4
291.06403	1.9
291.09888	3.1
292.07224	2.1
293.11697	9.0
306.08786	7.4
307.09604	3.3
321.11221	61.8
321.15067	3.2
322.11765	7.1
323.09067	2.9
325.14368	3.4
338.11450	1.6
339.12405	1.7
353.13895	19.9
354.14185	1.8
392.38928	1.5
413.32309	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	412.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01873	2.0
55.05511	2.0
56.05026	1.0
56.96575	0.5
57.03428	2.3
57.36125	0.5
60.04511	1.0
61.01157	0.7
61.02917	2.9
67.05507	1.2
68.99800	0.6
69.03082	0.9
69.03432	12.5
69.07073	1.0
70.06599	11.7
71.04983	1.9
71.51710	0.8
72.08163	5.1
73.02911	2.4
74.06078	0.9
79.05472	0.9
80.37619	0.5
81.03423	7.6
83.08564	0.7
83.21885	0.5
84.04491	2.2
84.06741	0.5
84.08150	6.4
85.02914	28.8
86.09711	8.7
87.00840	6.7
87.04479	3.1
89.03914	3.6
91.03959	1.8
91.05486	1.4
93.07055	0.6
95.04970	1.8
97.02895	13.5
98.97603	1.4
99.04472	4.1
103.05508	0.9
104.10746	2.6
105.01875	8.6
106.02921	0.8
107.04935	1.3
109.02886	7.6
109.10120	0.5
110.07169	4.2
115.03927	4.7
116.07112	1.4
117.01845	0.8
117.03388	5.1
119.04921	0.8
120.08102	2.4
121.06512	0.7
125.33038	0.6
127.03931	17.6
129.10240	3.1
133.04994	4.5
133.10167	0.6
135.04431	9.8
136.07578	1.3
137.05991	1.1
143.11914	0.6
145.02856	11.2
145.04965	13.7
150.07632	1.3
155.07047	2.3
159.02902	5.0
163.03917	100.0
164.04288	2.1
173.08113	2.2
177.05484	3.5
178.04939	0.6
178.78288	0.6
184.07381	1.8
200.21936	0.6
213.03926	0.9
215.12756	0.7
219.01793	0.8
219.07957	0.7
231.04987	5.7
233.11494	0.6
249.06133	1.1
266.13919	2.2
325.09259	2.9
326.10284	0.9
412.14114	5.0
412.20282	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01873	3.3
55.05507	3.1
57.03439	21.6
59.05003	4.7
60.04514	2.0
61.02924	5.1
69.03432	79.3
69.07076	2.3
69.91109	3.7
69.91515	2.2
70.06604	6.7
71.04990	5.0
72.08159	3.5
73.02924	5.1
74.06082	1.1
74.37054	1.0
75.04487	2.5
79.05479	1.2
81.03426	8.7
81.07047	1.5
83.04996	1.2
83.08618	4.3
84.04514	2.2
84.08135	3.5
85.02909	100.0
86.09718	4.1
87.00826	3.9
87.04472	51.5
89.03909	1.2
91.03953	4.6
91.05500	2.0
93.07059	2.0
95.08603	1.5
97.02896	69.1
99.04473	4.9
101.09634	1.9
103.04002	1.2
104.10732	2.3
105.01862	7.7
107.04986	1.9
109.02873	7.9
110.07193	1.5
111.04440	1.4
111.08109	3.2
115.03936	84.4
115.87981	1.0
116.07142	1.4
117.03391	1.5
119.08668	1.1
120.08114	1.8
121.06535	1.3
123.04415	1.4
127.03934	24.5
129.09285	1.2
129.10236	2.6
130.06564	1.1
133.04971	96.5
135.04414	3.4
135.08101	1.5
139.03964	1.9
139.07532	2.8
141.09126	2.1
145.02898	3.2
145.04968	32.1
150.07632	12.0
159.02905	2.1
163.03917	34.6
163.05980	10.4
167.10683	5.2
177.05493	2.0
179.10785	1.7
197.11748	4.2
215.12793	1.6
222.47527	1.2
223.05997	1.7
231.05058	3.1
241.07149	3.2
245.13829	2.0
249.05972	1.2
259.08127	5.0
263.14926	4.8
277.09280	2.9
295.10187	4.4
412.20123	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	412.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01873	2.0
55.05511	2.0
56.05026	1.0
56.96575	0.5
57.03428	2.3
57.36125	0.5
60.04511	1.0
61.01157	0.7
61.02917	2.9
67.05507	1.2
68.99800	0.6
69.03082	0.9
69.03432	12.5
69.07073	1.0
70.06599	11.7
71.04983	1.9
71.51710	0.8
72.08163	5.1
73.02911	2.4
74.06078	0.9
79.05472	0.9
80.37619	0.5
81.03423	7.6
83.08564	0.7
83.21885	0.5
84.04491	2.2
84.06741	0.5
84.08150	6.4
85.02914	28.8
86.09711	8.7
87.00840	6.7
87.04479	3.1
89.03914	3.6
91.03959	1.8
91.05486	1.4
93.07055	0.6
95.04970	1.8
97.02895	13.5
98.97603	1.4
99.04472	4.1
103.05508	0.9
104.10746	2.6
105.01875	8.6
106.02921	0.8
107.04935	1.3
109.02886	7.6
109.10120	0.5
110.07169	4.2
115.03927	4.7
116.07112	1.4
117.01845	0.8
117.03388	5.1
119.04921	0.8
120.08102	2.4
121.06512	0.7
125.33038	0.6
127.03931	17.6
129.10240	3.1
133.04994	4.5
133.10167	0.6
135.04431	9.8
136.07578	1.3
137.05991	1.1
143.11914	0.6
145.02856	11.2
145.04965	13.7
150.07632	1.3
155.07047	2.3
159.02902	5.0
163.03917	100.0
164.04288	2.1
173.08113	2.2
177.05484	3.5
178.04939	0.6
178.78288	0.6
184.07381	1.8
200.21936	0.6
213.03926	0.9
215.12756	0.7
219.01793	0.8
219.07957	0.7
231.04987	5.7
233.11494	0.6
249.06133	1.1
266.13919	2.2
325.09259	2.9
326.10284	0.9
412.14114	5.0
412.20282	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	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03944	1.8
55.05513	9.9
57.07077	2.5
67.05513	15.6
69.06733	2.1
69.07076	20.5
70.00286	5.8
71.08627	1.3
79.05491	14.9
81.06593	2.8
81.07062	52.1
83.08619	9.2
91.05489	16.4
93.07052	44.7
95.08617	82.7
96.08984	1.3
97.06529	2.0
97.10186	5.0
98.21516	1.8
105.07038	27.7
107.08603	71.7
109.09389	2.1
109.10155	41.5
111.08057	2.4
111.11781	1.3
112.92925	1.2
113.02405	1.2
117.07038	1.9
119.08588	32.0
121.10154	49.9
123.11717	15.8
125.09663	2.0
131.08577	3.2
133.10132	25.0
135.11697	25.3
137.13252	5.6
139.11179	1.8
143.08578	1.6
145.10124	7.2
147.11694	21.4
149.12067	2.2
149.13268	37.0
149.14394	2.6
151.11220	3.0
151.14833	2.5
157.53494	1.4
159.11665	8.4
161.13274	20.0
163.14830	69.3
165.12737	1.8
173.13304	5.8
175.14824	25.9
177.12802	3.7
177.16403	31.6
179.14319	6.8
187.14854	13.9
189.16399	33.0
191.17993	20.7
201.16418	5.5
203.17982	49.3
205.19496	6.4
207.17479	4.2
215.18011	6.7
217.19516	7.6
219.17477	2.3
219.21111	2.9
221.19138	1.7
229.19627	3.3
231.21111	20.4
233.18994	6.8
233.22598	2.0
247.24266	4.0
280.16998	1.4
283.24326	1.5
306.22592	1.4
393.35193	12.0
411.36270	100.0
412.36578	1.7
420.13785	1.6
420.91333	1.4
435.00018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.39545	1.4
53.03952	1.7
55.05507	13.3
59.04976	1.5
63.47849	1.4
67.05498	19.9
69.07066	20.4
69.63055	9.0
71.08619	1.5
79.05498	17.7
81.07060	46.1
83.08600	7.8
91.05485	11.9
93.06483	3.0
93.07043	39.3
95.08609	85.7
97.06527	2.5
97.10154	5.7
105.07037	26.7
107.08598	72.0
109.10162	39.3
111.08076	2.4
111.11728	2.4
115.88825	1.4
116.07066	1.5
117.06995	2.3
119.07800	2.8
119.08581	32.2
121.10146	49.6
123.08058	1.8
123.11716	16.0
125.09614	2.7
131.08539	6.0
133.10135	25.6
135.11681	24.9
135.12611	2.6
137.09589	1.9
137.13268	5.3
143.08597	2.5
145.10095	6.8
145.11150	1.7
147.11688	21.1
149.13268	33.1
151.11205	1.5
157.10133	2.3
159.11697	8.6
161.13266	22.7
163.03905	2.3
163.14822	73.6
165.12759	2.7
173.13284	5.2
175.14815	23.4
177.16393	31.8
179.14323	6.2
187.14819	14.2
189.16379	33.1
191.17921	18.1
201.16396	6.2
203.17949	45.7
205.19536	6.2
207.17390	4.5
215.17981	6.8
217.19537	6.2
219.17627	1.5
219.21059	2.1
229.19597	3.8
231.21086	17.0
233.19119	4.2
233.22609	2.3
247.24310	2.4
269.22858	1.8
393.35123	14.6
411.28229	2.9
411.36230	100.0
412.36392	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3625
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05522	10.4
56.96572	1.9
57.07077	2.9
67.05514	16.4
67.43104	1.7
67.69189	1.9
69.03438	3.2
69.07084	22.0
69.15051	3.1
69.15453	15.3
70.06598	4.0
74.45950	1.7
79.05495	13.6
81.03433	2.0
81.07065	41.8
83.05006	2.2
83.08630	8.1
85.02897	2.1
91.05475	16.1
93.07054	40.9
95.08617	83.4
97.10175	3.6
105.07046	26.3
107.07878	3.8
107.08606	69.6
109.10168	38.7
111.08114	3.6
117.06985	2.6
119.08590	31.2
121.10152	48.9
123.08053	2.8
123.11720	14.4
127.03935	1.9
131.08568	4.8
133.10152	25.2
135.11716	25.3
137.09673	2.3
137.13237	4.2
145.10156	9.2
147.11719	18.7
149.09724	2.0
149.13275	35.5
151.11205	2.1
159.11722	7.5
161.13274	19.3
163.03894	2.3
163.14835	69.2
165.12753	3.9
165.14973	1.7
173.13313	5.9
175.14848	21.2
177.12839	2.0
177.16399	31.0
179.14333	5.7
185.13173	2.3
187.14816	11.7
189.16402	34.2
191.17944	19.3
201.16389	8.4
203.17976	42.0
205.19579	6.1
207.17563	5.7
215.17963	5.1
217.19490	8.1
221.19003	1.8
229.19635	4.7
231.21109	18.4
233.19019	5.5
233.22630	2.6
243.21149	2.6
247.24330	2.3
297.26010	2.1
316.53229	1.9
393.35098	12.3
411.36279	100.0
412.36902	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3258
Annotation	3beta-Hydroxy-(22E,24R)-ergosta-5,8,22-trien-7-one
Peak:m/z	Relative Intensity
55.05516	8.3
57.07077	9.3
59.83615	1.0
64.92793	1.0
67.05515	8.3
67.64329	1.1
68.24088	1.0
69.07072	52.0
69.45229	3.2
69.45654	5.3
71.08642	2.2
78.60716	1.2
79.05485	3.4
81.07061	13.2
83.08628	13.8
91.05475	5.6
93.07055	7.4
95.08609	13.8
97.10179	4.3
105.07042	7.6
107.08591	10.3
108.40019	1.1
109.10149	7.8
111.08071	1.2
111.11772	1.4
117.07021	6.1
119.08585	6.7
121.06499	2.4
121.10164	5.8
123.11726	4.4
125.13258	2.2
130.07835	3.6
131.08623	3.6
133.10170	2.3
135.11728	4.9
137.13274	3.8
143.08591	4.2
145.06506	3.2
145.10123	16.5
147.08038	7.4
147.11739	3.5
149.09627	4.5
149.13245	2.7
154.43179	1.2
155.08568	3.4
157.10185	3.5
158.07298	9.2
159.11710	4.6
161.09659	4.1
163.14841	2.0
173.09628	100.0
175.11185	18.6
185.13364	1.4
187.11334	4.1
187.14841	1.6
189.09186	1.7
189.12865	1.8
191.10674	87.3
199.11278	3.1
200.26138	1.1
201.12820	3.4
213.12730	7.2
215.14301	7.9
227.14415	3.3
227.17876	1.4
231.13689	2.1
267.17438	2.2
269.19122	2.5
288.66000	1.2
323.23666	3.4
323.27335	1.7
393.31500	35.6
393.36169	2.5
411.32462	70.1
412.32645	2.9
417.55188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68878	1.8
55.01884	2.6
55.05516	15.7
56.10480	1.8
57.03424	4.4
57.07083	3.7
61.83505	2.0
67.05506	31.2
69.07079	21.9
71.04990	5.6
71.17576	5.9
71.96601	2.3
79.05501	20.7
80.59719	1.9
81.07057	79.5
83.04984	5.7
83.08623	13.3
85.06544	6.8
91.05489	26.8
93.07040	24.7
95.04996	2.8
95.08614	89.1
97.06534	15.7
97.10168	9.3
98.09709	7.6
99.08073	11.7
105.07037	35.0
106.07384	3.8
106.61342	2.0
107.08602	16.1
109.06511	3.6
109.10161	9.6
111.08089	6.0
112.11248	8.6
113.09667	3.5
115.07587	4.3
119.08582	46.6
121.10140	16.6
122.09690	2.9
123.08050	6.0
131.08565	4.2
133.10124	32.7
135.11694	22.2
137.13240	14.9
145.10106	5.0
149.13164	2.4
151.14838	2.6
159.11691	4.2
161.13255	100.0
171.11739	2.0
173.13312	2.5
175.14890	2.3
179.14311	69.8
195.54337	2.9
197.15396	9.3
238.49774	2.3
241.15582	2.4
252.23216	4.2
257.18616	3.6
266.24792	3.2
280.22839	2.8
357.27847	5.2
375.28931	7.5
386.37253	2.5
411.32568	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	411.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01073	0.5
59.45268	0.4
69.03426	0.5
69.62455	1.7
69.62864	0.9
70.06596	1.2
72.08156	0.5
84.08142	1.0
85.02890	0.8
86.09708	1.2
105.07021	0.7
129.05429	0.5
137.05972	1.9
138.06348	0.6
163.03906	1.2
170.57530	0.5
176.70164	0.5
188.08154	1.5
190.02699	0.5
201.03696	7.3
203.05272	30.5
231.09964	6.3
233.11449	2.1
236.95464	0.5
249.09656	1.2
267.10803	0.8
291.10718	2.2
308.05740	0.6
309.11850	2.3
322.13885	2.6
351.13199	0.6
411.16174	100.0
412.16568	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.05035	0.8
57.94172	0.2
60.01181	0.2
60.11319	0.2
61.01149	0.2
65.43317	0.2
66.88692	0.2
69.17917	2.4
70.06596	1.5
72.08147	1.0
75.60777	0.2
81.03436	0.3
84.08147	0.5
85.02908	0.6
86.09712	0.9
87.05623	0.3
87.90396	0.2
91.05563	0.4
97.02908	0.3
99.10830	0.3
104.05350	0.5
110.02389	1.2
117.60098	0.2
120.08123	0.7
121.06509	0.3
130.08638	0.3
136.07625	0.3
152.07092	0.6
153.06619	0.3
163.03970	1.1
169.09689	0.3
170.09329	0.6
177.05482	0.3
203.05276	1.0
209.20511	0.3
218.09767	0.4
227.13950	0.4
246.09264	0.3
249.14697	1.0
338.13437	0.6
393.13940	0.3
411.19965	100.0
412.20264	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
58.78857	0.2
68.80073	0.2
69.03415	0.4
69.63751	0.6
69.64164	0.8
70.06593	2.0
72.08167	1.4
74.06073	0.3
79.05473	0.3
81.03438	0.3
81.07074	0.3
84.04512	0.6
84.08153	1.5
85.02908	0.8
86.09719	1.4
91.05481	1.0
97.02914	0.6
97.46284	0.2
98.97577	0.5
103.05470	0.3
105.07024	0.3
107.04950	0.4
109.02858	0.3
110.02451	0.4
110.07163	0.3
120.08119	1.2
127.03955	0.4
127.49557	0.3
129.10242	0.8
133.10127	0.4
136.07588	0.3
145.02859	0.6
147.04379	0.3
152.07027	0.4
156.85225	0.3
161.05984	0.3
163.03886	0.8
177.05495	1.1
249.14922	0.3
325.03683	0.8
411.19913	100.0
412.20285	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85952	0.7
55.05504	3.0
56.05038	41.5
57.07068	1.2
61.00846	1.4
61.01151	22.1
67.05505	11.3
69.07062	3.0
69.58565	5.2
70.53980	0.9
72.00608	0.7
74.02409	1.0
74.06071	1.7
74.09704	1.0
77.66779	0.7
79.05061	1.0
79.05499	9.7
81.03378	0.8
81.07058	12.1
83.08610	1.7
85.02924	1.6
87.02705	3.8
89.04264	0.7
91.05480	6.2
93.07051	12.0
93.47748	0.8
95.04928	1.3
95.08618	8.9
97.06563	0.8
97.10217	1.0
98.20856	1.1
102.05566	7.9
104.05331	70.2
105.07015	4.3
106.06863	0.7
107.08600	6.3
109.10153	3.8
112.90508	0.8
117.07008	1.4
119.08566	4.5
121.10139	5.6
123.11707	1.5
131.08575	3.2
133.03195	43.5
133.10129	2.3
135.11707	4.1
138.43898	0.7
145.10103	2.7
147.11684	1.8
149.09549	0.8
149.13292	1.8
150.05843	100.0
159.11740	2.2
161.13228	1.5
163.14848	2.4
173.13260	1.5
177.16460	1.0
187.14835	1.3
233.22928	0.8
243.21169	2.3
244.16182	0.8
261.22104	6.0
267.01761	0.8
279.78729	0.9
299.23996	1.0
316.26367	5.5
359.40698	0.8
362.26840	11.7
364.26688	1.8
398.20529	0.9
410.27042	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	410.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12953	1.2
53.03927	2.5
55.01858	5.2
56.05015	2.3
57.03428	3.8
61.01155	1.5
61.02922	3.6
62.06100	1.4
67.05499	3.0
68.99795	2.9
69.03429	14.2
69.07060	1.6
70.02942	1.6
70.06597	25.4
72.08139	3.5
73.02910	5.4
77.95118	1.2
78.21203	1.3
81.03080	1.2
81.03429	13.6
84.04498	1.7
84.08155	7.6
85.02907	33.1
86.09710	10.4
87.00830	12.8
91.05481	4.3
93.07025	2.3
95.04952	1.6
95.08614	1.6
97.02895	14.7
99.04449	8.9
103.03940	2.5
103.05475	2.1
104.05325	1.5
105.01850	6.9
105.40759	1.5
107.08604	2.3
109.02893	11.0
109.10155	2.0
110.07156	2.6
111.04438	3.7
115.05482	2.0
117.01854	2.9
117.03465	1.2
117.05760	3.6
117.07016	4.4
119.08581	3.7
120.08107	11.6
121.08434	1.5
125.28954	1.2
127.03918	21.8
129.01859	2.0
129.05496	2.6
129.07030	6.9
129.10265	3.5
130.06509	12.0
132.04401	1.6
132.08096	7.3
135.04459	1.6
137.05992	1.7
137.09598	3.9
141.06992	1.6
143.07303	21.3
144.08089	100.0
145.04985	7.5
146.06033	2.2
155.07242	2.7
156.08090	21.2
157.05136	1.5
157.08897	5.5
158.06021	3.6
158.09654	92.2
159.02873	7.9
160.07573	8.8
161.05980	1.5
162.05539	1.8
162.09158	13.0
163.03908	10.0
167.07303	5.5
168.08090	19.6
169.08876	1.6
170.06062	2.0
170.09578	2.2
172.07495	3.1
174.09113	8.0
175.06084	2.2
177.05476	1.6
178.03198	1.5
180.08051	3.6
181.08774	2.2
182.09650	6.8
184.07594	22.0
186.09148	80.3
189.07446	1.7
194.09718	1.4
196.07574	2.7
196.11212	3.6
198.09129	2.5
204.10211	84.0
206.09702	4.7
210.09142	4.9
214.08659	3.1
216.10149	2.1
217.13535	3.1
224.10764	6.7
228.10158	4.5
231.04929	1.9
234.09174	2.9
240.10304	1.4
245.12842	3.8
252.10176	12.4
270.11255	9.6
288.12302	3.6
304.22006	1.4
312.12274	2.7
330.13394	5.3
348.14703	1.9
356.11270	10.8
357.15436	3.8
374.07898	2.0
374.12381	34.6
392.13394	52.0
410.14026	2.4
410.21997	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.05508	16.7
57.07068	11.2
67.05504	30.1
69.07071	30.1
70.40437	5.1
70.40791	7.2
79.05488	18.4
81.06596	4.2
81.07062	73.1
83.04972	5.4
83.08624	14.8
91.05473	15.2
93.07042	34.9
94.31729	3.0
95.04961	3.2
95.08614	100.0
97.10173	7.5
105.07030	42.9
107.08602	49.2
109.06504	3.6
109.10159	43.3
111.11720	4.5
117.07023	4.2
119.08594	52.8
121.06505	3.1
121.10145	45.3
123.11707	27.5
125.09668	7.3
129.07004	7.0
131.08595	25.1
133.06494	4.4
133.10133	38.5
135.11685	30.7
137.13261	30.2
142.07719	3.6
143.08568	13.4
145.10132	33.5
147.11691	27.0
149.13258	18.6
151.11179	6.6
151.14798	7.1
155.08519	9.6
156.09306	4.6
157.10110	10.0
158.10901	3.3
159.11720	24.5
161.13248	29.6
163.14835	12.9
163.30748	3.2
169.10161	10.9
171.11696	22.5
173.13248	22.5
175.14832	13.0
177.16389	13.3
183.11655	7.3
183.50250	2.8
185.13239	12.4
187.14833	27.9
189.12743	7.0
189.16383	31.0
191.14336	8.5
191.17979	24.9
197.13297	8.1
199.14824	12.4
201.16362	20.8
203.14323	13.8
203.18034	17.2
205.15897	17.7
205.19527	8.4
211.14871	9.6
213.16357	16.0
215.17949	5.1
217.15866	9.9
217.19554	9.3
219.17480	11.5
223.14578	3.1
225.16461	6.0
227.17986	13.4
229.15842	6.2
229.19579	3.6
231.17395	9.8
231.21106	3.4
239.17972	10.6
241.19580	9.1
243.21199	4.0
245.18944	3.3
253.19502	8.7
255.21225	4.3
257.18951	7.0
259.20630	6.4
267.21075	9.1
271.20786	7.4
336.82193	3.3
339.26486	4.0
391.33640	33.4
409.26694	4.6
409.34760	87.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79991	0.6
55.05508	4.7
56.05040	4.5
57.03424	1.1
57.07077	1.7
67.05508	13.7
69.07072	5.6
69.52685	0.8
70.98321	0.9
71.13923	1.1
79.05494	3.5
80.43953	0.7
81.07064	16.8
82.87932	0.7
83.06104	24.4
83.08617	2.7
84.04508	77.7
85.02901	1.1
91.05486	3.4
93.07047	4.4
95.08614	12.3
96.17628	0.8
97.06548	1.3
97.10188	1.6
98.98466	2.5
101.07143	9.8
102.05552	4.9
105.07047	3.0
107.08604	3.0
109.10171	5.5
111.08077	1.0
111.11728	0.9
116.00960	0.7
119.08598	2.1
121.10168	3.1
123.11700	3.3
129.05637	1.8
129.06610	40.7
130.05011	100.0
130.84430	0.7
131.08644	1.0
133.10155	2.1
135.08128	0.9
135.11691	2.1
137.13240	0.8
137.19337	0.7
145.02669	0.9
147.07658	33.5
147.11703	2.1
149.13231	1.8
155.01122	1.5
159.11783	0.8
161.13281	1.6
175.14777	1.2
185.13342	0.9
186.05289	1.3
189.16479	1.3
203.17918	1.0
236.12956	0.9
237.22058	1.5
245.22713	2.1
253.19580	0.8
263.23761	6.7
280.26453	2.0
311.25909	3.9
346.27393	0.9
350.46118	0.9
355.20837	0.8
370.30292	1.0
391.33731	0.9
392.27902	2.3
409.30115	3.6
409.34827	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93194	3.5
55.05501	12.5
57.07079	100.0
67.05482	8.6
69.07055	16.9
69.36073	27.7
69.36488	9.0
71.08637	80.2
73.06544	3.8
76.82922	3.5
79.05487	7.7
81.07057	27.4
83.08607	14.5
85.10191	48.5
89.06023	5.5
91.05480	8.7
93.07040	15.8
95.08621	38.3
97.10161	8.3
99.11716	5.8
105.07016	12.4
107.08586	18.9
109.10143	14.9
116.89264	4.0
119.08547	12.7
121.06503	4.9
121.10101	9.3
123.08103	5.7
123.11713	9.1
131.08527	10.6
133.10103	6.2
135.08009	9.7
135.11694	9.4
137.05945	6.4
137.13251	17.3
145.10135	10.1
147.11678	3.7
149.06076	6.5
149.09647	6.3
149.13284	5.2
151.07556	43.6
159.11641	6.1
163.07544	16.4
165.09113	35.3
169.08670	4.2
173.09613	5.5
173.13225	3.4
177.09186	27.8
179.10693	17.5
186.99518	4.3
187.14793	6.1
191.10690	17.0
193.12329	6.9
195.12250	3.9
196.12401	4.2
201.12762	7.7
205.12141	9.0
215.14206	6.8
233.15157	5.4
237.14812	4.9
251.16359	4.6
261.18402	6.1
261.90012	4.1
391.35651	5.3
408.74014	4.0
409.34247	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.75199	0.3
57.86683	0.2
60.04517	1.1
67.05505	0.3
68.11451	0.3
69.03439	0.4
69.07066	0.4
69.37892	1.1
69.38298	0.7
70.06597	1.9
72.08160	4.2
74.06071	0.3
84.04489	0.5
84.08141	1.1
85.02900	0.4
86.09720	2.1
87.05589	1.0
88.03985	0.3
91.05490	0.5
93.07047	0.4
95.08605	0.6
98.97608	0.8
99.11012	0.2
105.03342	0.3
105.07054	0.5
107.04959	0.3
114.09171	0.7
116.92413	0.3
119.08550	0.3
120.08102	3.2
125.09603	0.3
127.04039	0.2
127.05029	0.8
129.10240	0.8
133.10161	0.4
134.10527	0.6
136.07599	1.1
145.02852	0.6
149.09613	0.3
151.11127	0.4
156.28549	0.3
159.11308	5.4
166.08641	1.0
173.12975	0.3
177.05536	0.5
177.10197	0.6
187.10785	1.7
192.31696	0.3
211.13339	0.4
212.13594	1.0
223.10748	2.5
223.54778	0.3
244.13043	0.5
251.10358	0.4
289.08243	0.4
313.08432	0.4
327.66635	0.3
331.09195	0.6
332.16171	0.3
349.10318	0.3
352.46204	0.3
391.11206	0.3
409.18353	100.0
410.18710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.22
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
63.40904	0.3
67.05502	0.4
69.77703	1.5
70.06585	0.3
71.68980	0.3
79.05505	0.6
81.07054	1.4
83.08566	0.3
85.02877	0.3
86.09676	0.4
91.05489	0.5
93.07040	1.0
95.08598	1.8
98.97559	0.5
104.62418	0.3
105.07031	0.7
107.08601	0.6
109.10145	1.0
119.08574	0.8
121.10127	0.9
131.08563	0.7
132.27570	0.3
133.10127	0.7
135.11673	0.5
135.54451	0.3
145.10129	0.4
147.11624	0.4
157.96867	0.3
159.11700	0.5
159.78577	0.4
161.13235	0.6
173.13272	0.6
187.14854	0.6
190.69658	0.3
205.15804	0.4
211.14870	0.6
213.16496	0.4
220.08115	0.4
227.17918	0.6
269.22702	0.5
309.19067	0.6
335.18118	1.3
409.21967	100.0
410.22253	2.1
410.28949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01867	2.7
55.05516	10.7
55.21767	1.4
57.03440	1.5
57.07066	3.0
59.04987	4.6
59.09745	1.3
62.29956	1.3
63.15160	1.5
65.03934	1.7
65.74683	1.4
67.05505	17.8
69.03431	16.4
69.07068	7.8
69.14164	13.4
70.06573	2.4
73.02907	2.8
75.04505	2.4
78.32370	1.5
79.05495	13.7
81.03415	4.3
81.03914	1.3
81.06599	2.4
81.07060	44.7
83.04991	2.9
83.08607	3.9
85.02898	4.4
86.09698	3.2
87.04462	5.2
91.04980	2.4
91.05489	26.6
93.07045	45.2
95.01337	2.4
95.04957	5.7
95.08612	45.8
97.02896	42.2
97.03522	2.0
97.06554	7.0
99.00814	3.1
99.04504	1.4
101.06010	3.7
103.05470	2.2
105.07039	53.7
107.04948	2.4
107.08599	46.1
109.06525	5.8
109.10165	13.7
111.04439	2.8
111.08086	1.8
113.02352	5.4
117.06995	6.3
119.08585	77.8
121.06498	5.5
121.10148	84.5
123.08080	16.5
123.11674	2.8
125.02358	20.0
125.09618	4.1
127.03844	1.6
128.06210	2.2
129.05482	6.7
129.06984	1.7
131.08595	10.6
133.10139	55.7
135.08061	5.1
135.10699	2.6
135.11702	40.3
137.09615	5.3
142.07797	1.9
143.03452	2.1
143.08534	4.7
145.10159	9.0
147.04401	1.5
147.08057	4.5
147.11693	23.6
149.09731	1.6
157.10110	4.7
159.11691	20.7
160.12376	1.4
161.09659	12.1
161.13263	48.4
171.11679	2.9
173.13293	3.8
175.06033	68.1
175.11163	6.6
175.14818	5.3
187.14772	1.7
189.12770	5.2
189.16388	100.0
199.14787	6.1
216.12292	6.2
217.15877	44.7
235.16908	8.9
243.21010	1.6
249.18413	2.4
291.31631	1.3
343.58923	1.6
385.25842	1.4
409.22174	5.0
409.34845	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.8
53.03933	1.3
55.01859	2.1
63.24281	0.9
64.45647	0.8
64.56766	0.8
65.03614	1.1
65.03937	12.4
66.54929	1.0
67.05492	1.7
68.22249	0.9
69.30772	3.3
69.31195	4.0
69.52711	0.8
70.06569	1.0
71.01362	5.6
72.08142	1.0
79.05491	8.3
81.03413	1.1
85.02886	2.3
86.09716	4.2
91.05472	5.8
92.85645	0.8
93.03407	19.7
93.07038	1.4
94.04187	1.0
95.04975	6.1
98.97550	1.0
103.05491	1.5
107.04960	9.7
108.02079	2.0
109.06498	2.0
110.03651	3.5
111.04446	11.2
117.03364	1.6
118.04148	2.5
119.04967	6.1
120.08091	3.1
121.06487	7.2
122.03638	3.5
123.04420	5.2
124.05225	1.3
125.05994	22.2
131.04945	1.9
131.08511	1.9
133.02843	5.6
134.03595	1.3
135.04411	12.1
136.01588	1.4
137.05975	44.3
141.05505	1.8
145.02832	2.3
146.03658	2.5
147.04425	7.9
147.08131	1.3
149.05994	12.4
150.06747	3.4
151.03911	100.0
151.05016	7.4
153.05470	33.6
155.26247	0.9
161.05983	10.8
163.03946	5.8
165.05481	9.1
166.06271	1.6
167.07042	9.2
173.92863	0.9
175.07516	2.6
177.05475	11.0
178.06250	22.7
179.07019	10.0
188.04672	1.1
189.05479	3.1
195.06532	25.0
196.07312	13.6
197.08086	2.4
203.07025	9.1
209.08072	1.4
209.11804	1.0
214.56947	1.5
221.08083	12.2
223.06381	1.0
231.06401	1.4
249.07597	2.4
266.08093	1.3
283.09488	1.8
295.09937	1.0
297.11230	2.4
319.11591	2.4
341.10077	3.1
343.11810	6.0
361.12646	1.7
373.12671	2.9
391.13745	2.9
405.74722	1.0
428.12778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	0.8
69.07059	0.6
69.87830	0.4
70.06593	4.1
71.43251	0.5
72.08143	1.6
81.03429	0.9
81.07062	0.4
84.04510	0.7
84.08142	2.1
85.02927	0.9
86.09705	3.2
89.03925	0.7
95.04967	0.8
98.97590	0.8
110.07187	0.5
117.03374	2.6
120.08118	2.0
123.04474	0.5
125.09652	1.1
127.07593	1.2
129.10239	0.9
136.07512	0.5
145.02855	7.8
149.05994	0.6
151.04007	0.5
153.05438	0.7
163.03876	0.8
177.05463	7.9
199.03673	2.0
201.05574	0.5
211.17039	0.8
213.07619	0.6
215.05290	0.9
217.04750	0.9
233.06317	10.6
247.06046	0.6
247.13116	1.2
315.08417	4.1
333.09341	1.2
391.09860	2.5
409.11057	100.0
409.18286	53.8
410.11197	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
69.03429	1.0
70.06595	5.6
70.32224	1.6
70.32623	1.6
72.08143	2.4
80.31609	0.7
84.04516	1.6
84.08150	3.6
86.09698	5.0
87.10015	0.8
89.03920	0.9
91.05477	1.4
94.97838	0.7
98.97604	1.3
110.07147	1.2
117.03364	2.3
120.08118	3.9
125.09603	1.3
129.10258	1.5
137.06091	0.7
145.02869	6.8
169.36913	0.6
177.05489	7.8
178.03261	0.9
199.03659	1.8
211.16805	1.1
213.07381	0.8
215.00815	0.6
215.05255	0.7
233.06282	9.3
233.16319	0.7
247.05998	1.2
247.12965	0.9
285.09372	0.8
315.08426	4.4
391.10110	2.6
409.10977	95.5
409.18256	100.0
410.11389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.8
53.03933	1.3
55.01859	2.1
63.24281	0.9
64.45647	0.8
64.56766	0.8
65.03614	1.1
65.03937	12.4
66.54929	1.0
67.05492	1.7
68.22249	0.9
69.30772	3.3
69.31195	4.0
69.52711	0.8
70.06569	1.0
71.01362	5.6
72.08142	1.0
79.05491	8.3
81.03413	1.1
85.02886	2.3
86.09716	4.2
91.05472	5.8
92.85645	0.8
93.03407	19.7
93.07038	1.4
94.04187	1.0
95.04975	6.1
98.97550	1.0
103.05491	1.5
107.04960	9.7
108.02079	2.0
109.06498	2.0
110.03651	3.5
111.04446	11.2
117.03364	1.6
118.04148	2.5
119.04967	6.1
120.08091	3.1
121.06487	7.2
122.03638	3.5
123.04420	5.2
124.05225	1.3
125.05994	22.2
131.04945	1.9
131.08511	1.9
133.02843	5.6
134.03595	1.3
135.04411	12.1
136.01588	1.4
137.05975	44.3
141.05505	1.8
145.02832	2.3
146.03658	2.5
147.04425	7.9
147.08131	1.3
149.05994	12.4
150.06747	3.4
151.03911	100.0
151.05016	7.4
153.05470	33.6
155.26247	0.9
161.05983	10.8
163.03946	5.8
165.05481	9.1
166.06271	1.6
167.07042	9.2
173.92863	0.9
175.07516	2.6
177.05475	11.0
178.06250	22.7
179.07019	10.0
188.04672	1.1
189.05479	3.1
195.06532	25.0
196.07312	13.6
197.08086	2.4
203.07025	9.1
209.08072	1.4
209.11804	1.0
214.56947	1.5
221.08083	12.2
223.06381	1.0
231.06401	1.4
249.07597	2.4
266.08093	1.3
283.09488	1.8
295.09937	1.0
297.11230	2.4
319.11591	2.4
341.10077	3.1
343.11810	6.0
361.12646	1.7
373.12671	2.9
391.13745	2.9
405.74722	1.0
428.12778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.213
Annotation	Glu-Ile-Phe
Peak:m/z	Relative Intensity
50.56199	0.5
55.05514	1.2
56.05033	2.4
60.04520	0.4
65.03938	0.5
67.05497	0.7
69.03423	1.0
69.07059	2.2
70.06596	8.5
71.52268	0.5
72.08158	4.4
74.06088	0.6
79.05490	1.0
81.07048	0.9
82.38553	0.5
83.04983	0.8
83.06110	0.9
84.04508	32.8
84.08142	4.9
85.02911	1.7
85.08475	0.5
86.09708	76.5
87.10038	1.3
89.03904	0.6
91.05478	3.5
91.82330	0.5
93.07040	2.0
95.08598	0.6
95.42151	0.5
96.04487	1.1
98.97561	1.1
102.05543	14.4
103.05461	3.3
103.31229	0.4
105.07034	1.3
107.04940	0.6
109.10217	0.5
110.06057	0.5
110.07167	1.6
113.07114	0.7
115.08681	0.6
116.07102	0.7
117.03333	0.5
119.04957	1.4
120.08109	100.0
121.08490	2.8
122.02737	0.6
125.09631	1.3
129.06596	3.2
129.10239	3.2
131.04904	1.0
132.10210	24.8
136.07581	12.6
137.05977	1.2
141.06621	2.8
145.02831	0.7
147.04431	0.9
149.05995	0.9
152.10716	1.4
158.09589	0.7
160.07526	0.9
161.06081	0.6
163.03947	0.6
166.08640	31.3
167.06894	0.6
167.09108	0.6
170.11784	2.9
177.05482	3.2
177.08017	0.5
186.09157	8.4
191.08212	0.6
193.12239	0.6
197.12856	11.3
203.11754	0.7
204.10197	2.7
215.13908	21.3
225.12338	5.2
228.17004	0.5
231.09050	1.1
231.11276	14.4
243.13370	8.0
249.12338	13.2
249.16010	5.4
259.10809	4.5
260.11151	0.5
277.11719	3.5
277.15457	1.9
279.17038	4.3
295.16412	1.0
304.12341	0.5
319.03827	0.5
390.20334	1.3
408.14386	0.8
409.18048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.05514	1.6
56.05021	0.8
56.96570	1.3
57.03424	1.5
57.07057	0.8
60.04506	1.3
61.02924	1.1
67.05502	3.6
69.03432	3.3
69.07070	6.7
70.06602	9.6
71.05007	1.8
72.08157	6.1
79.05502	3.1
81.03432	1.2
81.07075	4.7
83.04993	1.5
84.04498	1.7
84.08157	5.2
85.02914	8.5
85.06554	2.4
86.09713	32.4
91.05475	8.7
93.07048	8.1
95.04986	9.6
95.08617	1.4
97.02887	2.7
98.97586	3.5
99.04455	1.7
102.05553	1.2
103.05486	1.2
105.07051	9.9
107.08598	4.7
109.06525	9.2
109.10171	2.6
111.08147	0.9
116.98631	1.0
118.22617	0.8
119.08547	2.1
120.08109	36.0
121.10107	1.6
123.11746	2.0
125.09615	1.0
127.03976	1.0
127.07582	2.1
129.10248	1.7
130.05045	1.8
131.08551	4.6
133.10136	56.7
137.06018	6.2
145.02895	1.5
145.05006	1.3
147.11682	12.2
148.06053	2.5
149.09682	1.5
151.07587	1.6
151.11189	38.0
155.07036	11.1
158.99681	1.4
163.03951	1.4
165.12817	3.2
167.07030	1.4
175.07532	1.0
175.11179	6.1
177.00687	1.1
177.05441	4.2
181.05000	1.0
182.05365	1.0
187.03934	0.8
193.12263	27.1
198.34798	0.8
198.37959	0.8
199.18102	3.8
199.58896	0.8
199.71704	0.8
210.08455	1.2
211.13304	100.0
212.13660	1.3
214.08609	2.2
223.10805	0.9
225.43071	0.8
227.17598	1.3
229.14348	30.3
233.16502	13.7
246.11160	1.3
247.10352	0.9
261.16034	5.8
295.13000	4.1
362.10269	3.2
390.16226	1.2
408.10229	11.7
408.23758	1.6
409.13715	1.5
409.18396	10.9
427.16364	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.6
56.05034	3.4
59.47907	0.8
65.51559	0.7
67.05503	2.1
68.65160	0.7
69.03429	2.1
69.07072	10.5
69.33295	1.1
69.33694	5.4
69.54000	0.7
70.06596	10.3
71.04990	1.5
72.08156	5.6
79.05504	1.7
81.03419	1.2
81.07068	0.8
83.05003	1.4
84.04510	38.2
84.08155	5.0
85.02909	2.7
86.09709	100.0
87.04474	0.7
87.10037	1.9
89.03923	1.2
91.05481	3.3
93.07043	3.7
95.04989	2.3
95.08612	3.0
96.04517	0.7
97.02913	1.7
97.06546	2.0
98.20795	1.6
98.97568	0.8
102.05550	18.0
102.72244	0.7
103.05481	3.8
105.07027	4.9
107.04949	1.6
107.08607	1.7
108.19234	0.7
110.07182	2.6
115.03906	0.9
116.07083	1.5
117.03369	5.0
117.38683	0.8
119.08588	2.4
120.08112	66.8
121.08492	1.6
121.10142	1.0
125.06008	2.1
129.06610	14.7
129.10257	3.4
130.05009	2.1
130.12117	0.8
131.04944	1.2
132.10188	4.2
133.10133	7.2
137.06010	1.7
141.06639	1.7
143.07048	7.0
145.02852	12.4
145.04015	1.0
147.04431	1.1
147.11699	3.5
149.06001	2.8
149.73520	0.7
152.10754	1.7
161.05943	0.7
162.05460	1.0
163.99469	0.8
166.08650	47.7
167.06866	0.7
167.08867	1.3
170.11777	6.2
174.75066	0.7
175.11160	0.9
177.05496	21.4
184.60161	0.7
186.07649	0.9
186.09227	2.2
187.07352	0.8
193.12234	3.4
197.12875	20.3
197.14619	0.7
204.07237	0.7
211.13272	1.8
215.13924	53.6
216.14337	0.8
225.12302	7.9
231.11320	3.1
243.13409	20.4
243.15796	1.4
246.11304	8.6
249.12355	2.0
259.10916	0.9
261.16220	0.9
271.07910	2.0
277.11871	3.3
279.17032	2.5
282.23172	0.8
289.09061	3.4
300.16095	1.0
318.16998	2.0
336.69040	0.8
364.17664	3.2
385.01395	0.7
390.14136	1.3
390.19632	1.0
396.44958	1.0
408.14600	7.9
408.19730	1.0
409.11081	5.9
409.18344	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22112	4.2
53.50343	4.0
69.03393	4.6
71.50516	5.9
78.26212	4.1
82.99876	7.4
84.04493	7.6
84.08114	6.0
85.02916	9.7
97.02908	8.9
101.00887	42.0
107.42693	4.8
108.17585	4.9
113.00880	14.1
115.02444	8.8
119.01920	53.8
120.08076	10.1
127.02418	8.0
127.03939	6.7
131.01889	32.6
133.03502	25.7
139.02489	6.2
143.01894	85.3
145.03459	47.5
155.01892	26.3
157.03429	23.3
160.02190	5.8
161.02956	100.0
162.03098	5.3
166.08560	4.8
168.99821	18.0
169.03508	7.7
171.01418	18.2
173.02994	37.6
175.04472	9.8
183.04907	6.6
185.02933	21.9
187.00893	18.8
187.04559	13.4
189.02481	27.9
191.04080	5.6
196.99190	6.0
197.02939	8.1
199.00800	13.2
199.04538	7.7
201.02512	10.0
201.14325	4.6
203.04034	23.9
211.04486	24.1
212.04184	5.2
213.02475	11.5
215.00375	14.2
217.01889	21.8
219.03560	7.1
221.05058	10.4
225.47748	5.1
229.01895	14.5
231.03522	48.3
239.03345	6.3
241.01852	5.5
245.04932	4.9
247.03049	15.5
249.04773	5.5
253.05458	5.3
256.01944	4.7
259.03012	22.3
261.04504	7.1
263.06223	5.5
271.03302	7.5
271.06638	14.9
273.04599	5.3
275.02359	12.1
289.04071	69.9
301.03952	15.5
303.09238	24.8
305.07275	6.8
307.05087	79.9
308.05518	5.3
319.05026	8.1
329.06943	8.3
333.06711	7.0
343.65182	4.3
347.08267	12.4
349.06134	15.6
362.10559	4.5
373.06165	9.2
391.07196	15.6
409.08014	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	408.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
55.01860	2.4
55.05515	1.8
56.05026	3.3
57.03423	2.1
60.04502	1.4
61.02895	1.9
64.76757	1.1
69.03434	10.0
70.06600	23.9
71.04980	1.5
71.50689	1.0
71.51207	1.4
72.08156	8.8
73.02901	2.4
74.06070	2.9
81.03432	7.0
84.04517	6.8
84.08147	14.9
85.02915	13.2
86.06063	2.0
86.09703	8.2
87.04452	1.1
87.05581	1.6
88.03970	2.7
89.03912	1.5
91.05479	2.3
95.45975	1.0
97.02887	6.4
98.97589	1.7
99.04437	2.8
101.07138	1.5
102.05520	2.9
103.03948	1.2
104.05326	1.1
109.02888	5.1
110.07156	6.2
111.09170	1.2
114.05522	1.0
115.03922	1.3
115.05495	15.0
115.08678	2.1
116.07098	2.1
116.74914	1.1
117.03385	2.0
117.06979	1.4
119.04926	1.5
120.08124	10.1
123.82510	0.9
125.06053	1.6
127.03933	6.0
127.04750	1.0
128.07065	1.7
129.06647	1.4
129.10265	8.0
130.05026	1.9
130.06483	3.2
132.08116	6.9
135.04390	1.4
135.07967	1.0
136.07590	1.7
137.05984	2.3
139.03934	1.2
142.06534	100.0
143.07300	7.7
144.08133	4.9
145.02831	6.0
145.04990	1.7
149.05911	1.5
151.03799	1.6
156.07745	1.5
158.06052	3.1
159.06741	1.6
160.07591	84.6
163.03937	3.0
164.07066	1.7
166.08632	2.5
167.07051	10.2
177.05469	9.5
182.06433	1.5
183.62537	1.0
184.07487	1.3
187.05981	1.5
188.07059	2.2
202.08594	1.6
211.09593	2.3
228.06798	2.0
229.10805	1.4
243.38850	1.2
246.11246	6.2
275.12131	1.4
322.12860	5.4
346.13074	1.3
364.13916	35.5
364.18381	2.3
382.26981	1.1
388.92648	1.1
408.12796	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	408.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
56.05031	5.3
56.63486	2.1
56.96562	3.6
60.04526	2.3
69.03436	3.5
69.43938	13.8
70.06590	25.9
71.06901	2.8
72.08144	7.4
75.65881	2.2
76.40629	2.4
79.05515	5.2
81.03429	6.6
83.06081	2.7
84.04511	15.9
84.08134	13.6
85.02902	6.6
86.09710	8.0
87.05594	8.3
91.05473	6.9
95.04961	3.7
97.02890	2.6
98.97595	4.6
102.05539	4.5
103.05454	16.2
103.21362	2.1
105.07033	19.9
107.04953	91.7
109.02888	3.0
110.07160	2.3
114.05527	5.8
115.05470	4.1
116.07086	12.1
119.04874	2.3
119.50679	2.4
120.05727	5.5
120.08093	24.4
123.04431	3.6
129.06580	3.1
129.10260	5.5
131.04919	10.4
133.06487	16.1
135.04439	2.9
135.08054	28.3
136.07588	9.6
141.10240	2.8
143.06075	3.0
145.02898	4.7
145.04939	2.7
145.07574	3.6
159.42882	2.6
161.05966	24.8
163.07533	100.0
166.07240	15.1
166.08624	9.3
167.07030	79.4
167.08385	4.9
177.05441	7.9
180.07724	2.8
181.08572	4.6
183.11317	4.9
193.08624	21.9
195.10164	98.3
211.09662	2.9
212.09331	2.6
229.11800	6.3
243.10771	3.9
256.05984	2.3
259.07510	4.6
265.11725	3.0
288.15482	4.2
291.98938	2.9
312.64636	2.6
391.16852	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05004	0.5
57.03420	0.5
61.02928	0.8
69.03416	1.5
70.06599	5.9
70.26914	1.5
72.08144	1.5
72.79725	0.3
74.06052	0.4
76.97266	0.4
78.04702	0.5
79.05475	1.1
81.03423	0.6
81.07015	0.5
84.04504	1.3
84.08170	2.3
85.02908	3.7
86.09714	1.8
91.05490	0.9
93.07050	1.0
97.02899	1.3
102.05547	0.5
103.05438	0.5
105.03402	0.4
105.07028	0.6
106.04160	0.6
107.04951	1.3
110.07166	0.6
117.03388	1.2
119.04927	0.4
120.08118	0.9
121.06522	1.0
123.04415	1.5
124.05200	0.9
124.12321	0.3
124.38252	0.4
127.03868	0.4
129.10260	1.0
133.06473	0.8
137.05981	1.1
144.07970	0.3
145.02863	2.0
145.04964	0.9
147.04384	1.0
149.05972	2.5
151.03899	0.5
151.06230	0.4
151.07510	0.4
152.04729	0.6
161.05981	0.5
164.07135	1.1
166.06239	0.6
167.07050	100.0
167.84749	0.3
168.07349	1.0
177.05472	3.8
179.07063	0.4
181.08640	2.6
193.08595	2.9
211.09676	14.8
229.10704	14.2
246.11296	1.3
390.49283	0.4
408.20618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.6
55.05510	32.2
57.03437	5.3
57.07080	4.8
60.71709	3.2
67.05508	85.6
69.03432	6.3
69.07069	40.7
70.06583	4.5
71.04971	11.5
71.51809	5.3
72.08169	5.0
79.05498	33.5
81.07062	100.0
82.07391	3.7
83.04965	6.5
83.08630	17.0
85.02907	4.5
86.09695	4.7
91.05501	17.0
93.07041	40.4
95.08612	89.6
97.02895	6.6
97.06526	6.1
97.10151	7.5
105.07024	15.2
107.08592	27.7
109.02850	4.0
109.06523	5.1
109.10155	50.0
117.07014	6.9
119.08584	14.4
120.08067	4.3
121.06516	5.4
121.10161	23.8
123.04428	3.7
123.10957	3.3
123.11680	19.0
125.85133	3.7
127.03925	13.7
131.08585	10.7
133.10129	14.9
135.08014	5.0
135.11682	14.8
137.09630	3.9
137.13252	9.3
139.11150	4.9
145.02803	3.8
145.10188	8.4
147.11681	10.9
149.13271	5.9
157.10158	4.5
159.11713	8.5
161.13281	8.3
165.12828	3.6
167.07027	3.6
173.13257	6.4
179.14287	4.9
187.14883	8.7
243.21170	9.4
261.22229	28.3
268.18958	3.8
279.23190	91.3
297.24271	13.8
353.26898	27.5
371.27933	56.2
389.28918	38.3
407.33237	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.05515	12.1
57.03433	1.8
57.07065	5.2
58.66811	1.4
61.02928	1.9
62.17908	1.6
67.05505	19.7
69.03451	2.9
69.07076	19.9
70.06581	2.6
70.31898	1.5
71.04977	3.2
72.08193	1.8
72.36695	1.7
79.05490	11.5
80.30781	1.6
81.03414	2.8
81.06593	3.3
81.07061	56.4
83.04971	3.4
83.08627	9.0
85.02882	4.4
86.09713	3.5
91.05481	21.7
93.07050	29.2
95.04960	3.3
95.08614	69.9
97.02905	2.9
97.10195	4.3
103.05453	2.1
105.07041	45.0
105.43978	1.7
107.08597	37.7
109.06536	2.9
109.10157	27.6
111.11760	3.2
117.07027	9.6
119.08582	33.5
121.06533	3.1
121.10149	24.0
123.08091	4.0
123.11746	18.6
127.03918	5.7
128.06226	3.8
129.07039	6.9
131.08586	20.0
133.10147	31.0
135.08022	2.1
135.11690	16.0
137.06030	2.7
137.13237	16.2
141.06963	2.5
142.07793	3.8
143.08549	16.7
144.09294	3.6
145.10132	34.2
147.08080	2.5
147.11687	19.1
149.06006	1.9
149.13268	17.0
151.14827	3.7
154.07768	3.6
155.08551	5.1
156.09300	2.8
157.10149	16.2
159.07974	2.1
159.11699	33.8
161.09641	3.4
161.13252	18.4
163.11227	6.1
163.14833	9.2
167.07181	1.9
167.08517	2.7
169.10124	12.8
171.11699	11.1
173.13269	23.9
175.11176	3.8
175.14842	10.5
177.05420	2.7
177.12756	9.5
177.16399	7.1
181.10243	2.7
183.11690	10.6
185.09601	2.1
185.13263	14.1
187.11185	5.6
187.14836	13.9
189.12784	11.4
189.16385	32.0
191.14333	3.8
191.17944	12.6
195.11722	3.7
197.13304	5.1
199.14818	10.5
201.12787	8.0
201.16437	15.0
203.14354	10.8
203.17979	11.5
205.19435	2.4
211.14841	7.3
213.12701	3.5
213.16383	8.2
215.14372	4.9
215.17986	6.4
217.15889	19.8
217.19568	5.5
225.16397	4.1
226.17198	3.0
227.14383	13.0
227.17928	8.5
229.07600	2.3
229.15881	4.3
229.19612	5.8
231.21111	3.4
237.16299	2.4
241.15851	2.9
241.19612	4.2
243.21130	5.7
245.22609	2.2
251.17923	2.0
253.19556	2.7
255.17455	7.1
255.21094	4.0
257.18982	2.1
269.19180	3.5
269.22662	9.9
297.22366	2.1
302.03809	2.5
323.23660	2.4
379.29547	18.8
379.34372	10.8
389.31854	10.6
407.20554	7.9
407.33142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.0
57.07080	9.0
65.03959	1.6
67.05497	2.0
68.95585	0.6
69.07075	21.1
70.20142	2.5
71.08630	12.7
79.05470	0.9
80.39574	0.8
81.07056	3.0
83.08603	0.9
84.95349	0.6
89.06039	0.9
91.05454	1.1
93.07034	1.2
95.08615	3.0
97.10199	0.8
98.21602	0.7
105.07047	1.1
107.08610	0.8
109.06501	0.9
109.10166	1.7
111.11736	6.3
113.00020	8.9
113.13280	1.7
119.08582	1.8
121.02863	3.6
121.03976	0.7
121.10123	1.2
123.11738	1.1
129.12758	4.2
129.56775	0.6
131.08644	1.1
133.08582	0.9
133.10118	1.2
133.95883	0.7
137.13249	1.2
145.10110	1.0
149.02353	100.0
150.02698	0.9
151.01662	0.6
159.11795	0.6
167.03413	8.9
169.02612	9.4
171.11670	1.0
173.79951	0.7
190.04958	0.9
407.27328	1.1
407.36261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2795
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
53.03955	7.5
55.01871	13.1
55.05513	39.0
57.03423	7.2
57.07074	11.3
59.32462	2.1
65.03941	5.2
67.05508	90.8
69.03429	37.6
69.07070	36.0
71.01372	2.9
71.04982	7.8
71.08618	7.3
73.06586	2.2
75.15280	2.0
79.05072	4.3
79.05495	53.8
81.03419	26.4
81.07062	100.0
83.04982	15.8
83.08621	18.1
85.02892	10.8
85.06532	7.0
85.10210	2.6
89.06036	2.4
91.05481	56.1
91.06026	4.2
93.06484	5.1
93.07047	72.1
95.04971	17.1
95.08614	68.1
96.86810	2.1
97.02895	10.4
97.06536	9.3
97.10156	12.2
99.04448	5.6
99.08125	5.6
100.71236	2.7
103.05492	2.5
105.07037	55.6
107.04953	12.7
107.08603	43.8
109.02868	5.5
109.06520	11.7
109.10160	32.1
111.04446	14.5
111.08066	2.9
113.09653	4.4
115.03984	4.0
115.05454	3.0
116.15300	3.0
116.98595	2.6
117.07030	22.0
119.08585	39.9
121.06517	10.7
121.10150	33.7
123.04445	9.1
123.08069	7.7
123.11729	13.2
125.09608	6.9
127.03942	10.0
128.06232	3.5
129.05524	3.9
129.07002	14.3
131.08569	42.8
133.06490	6.4
133.08603	2.7
133.10139	24.3
135.08052	7.5
135.11693	21.0
137.13252	9.0
139.03900	3.4
141.06978	3.7
143.07521	2.2
143.08540	14.7
145.06508	7.3
145.10120	27.4
147.08054	7.2
147.11697	22.5
149.05994	2.4
149.09578	6.0
149.13286	13.0
151.07578	3.4
151.11160	5.2
151.14796	3.8
155.08568	6.5
157.06528	3.9
157.10141	15.0
159.08086	7.2
159.11661	14.2
161.09615	3.1
161.13293	16.7
163.11194	3.5
163.14859	8.0
165.12782	8.0
169.10135	5.4
171.11697	9.2
173.09712	3.2
173.13272	9.0
175.07495	2.8
175.11230	5.4
175.14850	8.6
177.12776	7.5
177.16380	3.6
179.14240	4.3
183.11707	3.8
185.09723	3.6
185.13234	5.3
187.14847	9.7
189.16371	6.8
191.10818	3.2
191.14307	6.3
191.17976	3.6
193.15919	4.8
195.13881	3.1
197.13324	3.5
199.14743	5.4
201.12779	4.4
201.16412	7.2
203.14421	3.9
203.17870	3.7
205.15860	3.0
207.13889	4.5
209.13379	2.7
213.12807	2.7
213.16327	4.8
215.14322	3.5
217.15968	5.8
219.13792	2.8
221.15298	3.1
223.13110	4.4
229.15898	2.7
233.15417	2.9
241.15948	3.3
243.17441	4.1
243.21146	2.8
257.22614	4.8
259.17010	2.8
259.24301	2.4
261.22153	4.8
273.18250	4.2
275.23758	17.8
279.23108	3.2
287.23770	3.7
291.23123	7.3
293.24960	3.3
299.23587	3.7
301.21774	2.4
303.23038	12.0
305.24805	10.5
315.23322	5.4
317.24838	12.9
321.24176	8.9
329.24680	7.3
333.24112	3.9
335.23212	3.0
343.26129	13.0
345.24252	3.1
347.25876	8.4
353.24777	16.9
361.27408	7.5
371.25781	53.1
389.26855	52.0
389.31744	4.3
407.27957	64.6
407.32855	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	407.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
57.03440	4.3
57.07076	7.4
67.05500	3.3
69.07070	3.4
69.19853	0.5
69.74166	3.0
70.94091	0.5
71.08633	5.0
72.08168	0.9
74.81701	0.6
77.35752	0.5
79.05482	0.9
81.07053	4.3
83.08625	2.4
85.10183	2.1
85.66786	0.5
89.06011	1.0
91.05489	1.3
93.07046	1.4
95.08611	6.1
97.10180	1.4
98.20770	1.1
98.98531	0.8
105.07027	1.7
107.08595	1.0
109.10152	2.8
111.11667	0.6
113.00018	85.8
119.08553	1.1
121.10155	1.1
123.11700	1.3
131.08540	0.7
133.10072	0.9
135.11661	0.7
137.06001	1.2
137.13342	1.2
149.02324	3.4
149.13174	0.6
159.11693	1.0
161.13313	0.8
163.14789	0.6
169.02612	100.0
189.16365	0.8
200.02422	0.6
219.83023	0.5
239.23810	0.7
325.21085	0.6
340.56754	0.5
396.70966	0.6
407.32184	1.2
407.36877	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1528
Annotation	Pamapimod
Peak:m/z	Relative Intensity
56.05037	1.0
56.96556	0.5
60.04519	0.8
69.03419	0.6
70.06598	6.4
70.58952	0.4
70.59314	0.9
71.04996	0.4
72.08164	1.9
74.06084	1.0
81.03409	0.4
84.04514	1.8
84.08140	2.6
85.02891	1.4
86.09710	1.2
88.77872	0.3
91.05518	0.4
97.02921	0.8
98.06070	0.9
98.97603	0.9
110.07135	0.6
115.93908	0.3
116.07100	1.5
116.98663	0.4
120.08102	0.7
125.06010	0.4
127.03867	0.4
129.10204	0.5
136.07573	1.0
137.05939	0.5
138.45311	0.3
151.03925	0.3
159.09241	0.5
167.07045	0.7
170.91188	0.3
177.05911	0.3
180.44417	0.3
181.62657	0.3
185.06609	0.5
186.59775	0.4
201.12410	0.3
213.07524	0.3
213.12335	1.0
217.13135	0.3
219.01938	0.6
225.15430	0.3
232.11893	0.7
237.02803	0.7
275.11185	2.0
293.10822	0.9
310.17450	0.6
317.09140	0.4
319.12509	0.3
389.18640	0.5
407.15274	100.0
408.15390	1.9
431.09253	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1702
Annotation	Icariol A1
Peak:m/z	Relative Intensity
53.03934	2.2
54.14938	0.8
55.01642	1.2
55.01876	19.5
55.05505	1.6
56.05036	2.2
57.03434	1.1
65.03938	7.5
67.05499	4.7
69.03412	3.6
69.07061	2.2
70.06593	11.6
70.34470	3.4
71.04979	0.9
72.08159	5.7
74.38832	0.9
79.05498	5.1
79.71587	0.9
81.03393	1.2
81.07051	1.5
82.04201	3.4
84.04498	7.6
84.08143	7.7
85.02904	6.2
86.09702	11.6
91.05487	4.9
93.03435	2.4
93.07033	2.9
95.04964	4.7
95.08611	1.8
97.02886	2.9
97.06510	2.2
102.05544	1.1
103.05466	9.3
105.07042	4.6
107.04967	7.7
107.08578	2.2
108.02074	1.1
109.06496	1.1
109.08227	1.1
110.03664	3.7
110.07178	2.6
111.04446	2.3
112.08736	0.9
115.05456	1.5
116.07083	1.4
117.07019	4.1
119.08603	2.0
120.08103	9.7
121.06538	4.9
122.03609	2.5
123.04417	3.4
125.02387	1.3
125.05966	2.9
128.06229	2.2
129.07025	9.3
129.10275	4.8
130.04999	7.0
131.04930	14.3
131.08549	3.4
132.05623	1.1
132.10184	1.2
133.06503	2.5
133.10147	2.2
135.04396	1.6
135.08043	1.3
136.07564	1.9
136.59808	1.0
137.05980	39.0
138.03101	2.6
140.04651	1.3
142.02603	3.9
145.06471	5.5
145.10101	3.6
147.04338	2.0
147.08054	1.4
147.11523	1.1
148.05174	1.0
149.05989	5.2
151.03888	1.7
153.05438	3.4
155.07028	2.7
156.32362	1.0
157.06482	9.1
158.07327	1.0
159.04460	1.8
159.08066	1.9
159.11653	2.5
160.05177	2.0
161.05978	4.0
162.06853	1.1
163.03893	1.7
163.07539	6.2
163.11180	2.6
167.07045	18.4
168.07385	1.1
171.06497	3.1
171.11211	1.0
173.05942	1.0
173.09653	2.3
174.06741	3.1
175.06125	1.4
175.07500	9.5
177.04051	1.6
177.05469	17.3
177.09056	1.7
179.06979	0.9
181.04958	100.0
183.06418	1.7
185.05931	1.6
187.07532	2.2
187.11148	2.2
187.14853	1.1
189.09125	9.1
191.07021	1.7
199.07486	2.3
204.06473	1.1
205.08597	4.4
209.08101	30.2
215.10706	1.9
215.14200	1.4
217.08546	6.2
221.07959	1.9
235.07533	1.8
235.09668	18.7
241.13152	1.2
261.09158	1.3
269.09146	1.5
277.08578	2.2
309.11246	1.1
321.11313	1.8
339.12402	2.5
341.13913	2.8
359.14929	2.7
371.14948	10.8
389.16006	49.9
390.16632	1.0
399.68216	1.0
407.17065	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05503	3.0
57.03429	1.7
59.04993	1.8
61.02933	1.9
67.05511	2.0
69.03452	6.6
69.07059	4.4
70.06599	10.9
70.84126	2.7
71.04989	2.4
72.08157	6.2
74.06072	0.9
79.05482	2.2
81.03419	2.1
81.07052	2.8
83.04992	3.2
83.06095	1.3
84.04510	2.9
84.08150	5.1
85.02909	15.1
85.06524	0.9
86.09710	12.3
87.04480	1.9
89.03887	1.1
91.03979	1.0
91.05490	9.8
93.07043	10.1
95.04934	1.2
95.08612	17.0
97.02912	5.2
97.06529	6.0
99.08083	2.7
105.07029	7.3
107.08607	8.1
109.02930	1.4
109.10171	6.3
110.07180	1.3
119.08581	3.3
120.08112	3.8
121.06469	1.8
121.10143	11.2
123.08070	1.6
123.11699	1.5
125.09612	2.7
127.03923	3.0
127.08744	1.3
129.10226	3.6
130.06552	1.6
131.08566	7.2
132.10202	2.1
133.10139	100.0
135.08038	4.5
135.11681	4.0
136.07541	1.1
137.05933	2.4
143.08562	1.4
145.04965	4.1
145.10147	4.0
147.11693	4.0
149.05969	1.2
149.09657	2.8
149.13271	6.0
151.11191	20.5
158.10962	4.9
163.06090	1.3
163.14832	7.6
166.08704	1.2
167.06979	1.4
173.13280	34.3
177.05438	1.2
191.14319	62.5
209.15379	29.2
227.03238	1.5
239.86371	1.2
255.75269	1.0
364.08200	2.8
369.08237	1.2
371.20642	2.3
406.12885	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	406.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
56.96557	3.8
67.05499	2.9
67.35043	1.1
69.07059	2.9
71.46683	0.9
71.52080	1.0
79.05503	1.3
81.07040	4.1
83.08611	2.7
85.02929	1.5
86.09714	1.8
91.05487	2.8
93.07038	1.8
95.08614	2.7
97.10132	1.1
98.97585	8.1
103.05476	8.5
105.07039	2.9
105.50261	1.1
107.08625	1.1
109.10147	2.1
115.05450	1.2
116.98614	2.8
117.07029	6.5
120.63679	1.0
121.06473	1.9
121.10150	2.4
123.04473	5.9
123.11682	1.6
125.23107	1.0
127.51665	0.9
131.04930	19.3
131.08598	3.8
132.98126	1.1
135.11792	1.1
137.05994	10.4
137.91866	0.9
145.06494	13.2
147.04399	8.6
149.05998	49.8
150.99165	1.8
151.07539	6.5
152.98570	0.9
157.06487	2.8
159.08054	4.4
161.05971	2.9
163.07549	18.5
166.08618	2.4
170.99727	1.9
173.09659	1.4
175.07594	4.3
177.00658	1.2
177.09125	3.6
189.00771	1.2
189.09184	1.7
190.98705	1.9
210.79312	1.0
248.87369	1.2
318.93097	1.0
344.22137	5.1
353.24927	1.8
357.37598	1.0
365.00125	2.2
371.25931	6.4
388.24374	1.2
389.26593	1.2
406.29575	100.0
407.30075	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.8
56.05039	8.9
58.06598	3.4
60.04514	7.9
61.02884	3.3
69.03440	13.3
69.07074	3.0
70.06602	30.8
70.86557	5.2
71.72868	2.5
72.08166	17.7
74.06082	16.8
81.03442	3.3
83.45702	2.4
84.04513	21.4
84.08145	32.6
85.02905	17.2
86.06075	4.5
86.09716	19.9
87.04469	4.2
88.04008	4.6
91.05466	9.4
95.73446	2.1
97.02924	15.0
98.06089	3.1
98.97591	5.7
101.00869	3.4
101.07148	3.1
101.36578	2.4
102.05561	5.9
104.05340	5.8
104.10702	3.0
104.37917	3.3
107.04971	5.1
109.02895	2.7
110.07169	6.7
113.02381	100.0
114.32607	2.3
115.03928	3.9
116.07078	6.7
116.98642	2.5
118.08664	7.8
119.01903	9.0
119.04906	3.6
123.04456	9.0
126.05553	2.9
127.03915	4.4
129.06616	2.9
129.10236	10.8
130.05026	2.5
130.08630	5.4
131.01924	5.4
133.03459	2.7
136.06200	3.9
136.07591	6.4
137.05974	13.5
138.06337	5.7
140.06815	4.0
143.01920	8.8
145.03468	5.0
147.04408	3.6
154.08609	6.3
155.01915	8.0
157.03493	3.6
159.05110	2.4
161.02950	5.5
163.03947	3.1
173.02986	5.7
173.06703	3.9
183.01372	5.7
185.02965	3.8
185.06604	8.5
187.04599	3.2
189.08716	10.4
196.14232	2.5
199.08043	3.2
203.03867	5.8
203.07697	5.3
207.09726	3.0
217.05536	2.5
221.05077	8.3
227.03915	3.1
240.09891	3.3
244.96373	2.5
245.05116	6.2
259.06558	5.4
262.97076	5.9
263.06110	3.4
273.08069	2.4
275.09763	6.6
279.13556	3.2
283.10236	3.5
293.10812	7.3
301.07819	4.1
301.11365	7.2
319.12320	4.9
365.12701	4.4
389.00745	2.6
407.09879	5.5
407.14719	27.6
407.20096	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	406.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47099	1.3
67.05499	1.6
69.07059	2.9
69.28297	11.8
70.06589	2.7
71.04996	9.5
72.08149	2.4
79.05492	10.0
81.07028	2.7
83.04990	1.7
84.04509	2.1
85.02899	2.1
86.09749	1.8
91.05470	5.8
93.07027	7.0
95.04986	2.4
97.06519	2.6
105.07014	7.8
107.04946	3.8
107.08603	13.7
108.31763	1.4
116.84685	1.6
117.07056	1.4
119.08591	2.7
121.06542	9.9
121.10165	7.6
131.08566	55.2
145.10129	17.3
147.08058	2.4
149.09621	21.6
153.05457	4.0
162.07561	1.6
163.11150	8.3
165.09137	1.6
167.07097	1.7
169.80411	1.4
172.11630	1.8
173.09589	1.4
191.10692	18.2
209.11742	100.0
210.12094	2.2
215.43695	1.5
406.12634	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	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54971	1.0
53.03913	1.7
55.01875	1.3
55.05519	1.6
57.03429	2.2
57.07061	3.0
65.21209	1.1
66.26079	1.0
67.05508	5.9
69.03439	2.0
69.07058	1.6
70.79255	1.9
70.79587	1.2
71.04982	8.3
76.02232	2.4
79.05494	7.3
81.07031	3.0
83.04969	1.9
84.04486	2.5
85.02908	10.0
85.06547	42.5
91.05489	5.2
93.07037	8.4
95.04949	1.8
97.02924	2.0
97.06499	1.5
99.08094	2.8
105.07027	6.2
107.04935	4.3
107.08588	11.7
109.06526	1.7
111.04440	4.7
113.04194	1.0
116.01730	1.0
117.07008	2.6
119.08602	6.6
121.06517	7.8
121.10155	7.8
125.05959	3.0
127.03940	1.3
129.07004	2.7
131.08572	38.3
135.11664	1.4
137.09581	3.0
145.05003	1.2
145.10135	15.2
147.08063	2.8
149.05911	1.7
149.08426	1.5
149.09622	27.4
149.10774	2.1
153.05467	2.2
156.08479	2.5
162.02104	1.3
163.11206	10.9
165.09109	4.5
167.10706	13.5
173.09563	2.1
174.09500	1.2
191.10674	38.9
209.11732	74.1
227.12784	100.0
259.11172	8.7
356.60706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13369	0.7
54.16784	0.7
56.96297	1.6
56.96564	17.6
65.27901	0.7
71.52493	1.1
74.12371	0.7
74.97612	1.5
75.01510	0.7
75.24620	0.7
81.07053	1.1
84.96043	6.8
98.97590	95.7
110.97575	33.5
110.98354	1.4
112.99129	4.7
114.97078	0.8
116.98631	32.9
124.99126	2.7
126.97052	3.7
127.00691	2.2
128.98615	27.6
128.99580	1.5
130.96587	1.0
131.00182	3.7
132.98111	1.7
134.99657	6.1
140.00198	3.9
140.98599	10.4
142.96573	1.2
143.00174	4.5
144.98067	7.1
146.99675	8.6
150.99197	1.1
152.00206	3.3
152.98613	4.3
155.00195	1.8
156.98111	1.7
158.01283	1.6
158.99664	20.5
160.97594	1.1
161.01225	3.1
162.99139	4.5
166.01765	1.2
168.98099	2.1
170.01270	0.8
170.99664	34.3
172.97653	3.1
173.01192	2.3
174.99155	3.1
177.00714	9.9
182.01253	1.2
182.99678	4.3
185.01216	1.4
186.99202	4.0
189.00723	36.8
190.98651	15.4
193.00235	2.1
194.01295	1.5
194.99684	2.2
196.97537	1.0
198.99115	1.8
200.02364	2.4
201.00734	6.3
202.98700	1.9
205.00223	2.5
207.01747	5.8
208.99753	3.4
212.02315	5.2
213.00757	6.0
214.00314	2.1
214.98732	4.3
217.00212	2.8
219.01793	2.8
220.99722	2.2
229.00108	1.7
231.01773	12.7
232.99657	7.4
238.98511	0.9
244.99701	6.7
249.02866	12.8
251.00739	1.1
254.03531	0.9
256.99683	5.1
259.01309	3.2
261.02792	1.9
263.00760	23.2
272.04288	1.7
275.00763	3.2
277.02344	1.6
279.03897	2.0
281.01834	5.8
286.02362	3.8
287.00742	2.7
289.02338	1.0
293.01855	1.1
298.02341	1.1
304.03488	1.2
305.01801	15.7
307.03418	9.8
313.21942	0.8
325.04355	1.1
328.03229	1.0
347.02811	2.4
348.06186	1.2
364.99255	1.9
365.03894	46.7
383.04987	100.0
384.05466	1.4
388.05206	1.0
405.26440	1.2
406.06619	25.5
406.35391	1.8
407.07306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.9
55.01875	11.1
55.05510	2.4
56.05042	3.4
56.96557	2.4
57.03419	5.0
60.04502	5.0
61.02937	9.1
68.99791	3.9
69.03429	35.3
69.87154	3.1
69.87566	6.6
70.06593	20.2
71.04981	6.6
72.08160	17.8
73.02927	11.7
79.05491	2.2
79.72926	1.9
81.03419	32.1
83.06097	2.2
84.04491	8.4
84.08150	12.6
84.69553	1.9
85.02905	100.0
86.09700	8.2
87.00824	32.2
87.04471	2.1
87.05518	2.3
91.05466	6.1
97.02305	2.6
97.02898	41.3
98.06052	6.4
98.20814	2.9
98.97589	3.5
99.04430	13.7
101.02406	1.9
102.05537	3.4
103.03933	6.5
105.01860	30.2
108.04469	7.2
109.02881	93.4
110.07171	6.5
112.11236	1.9
115.03912	2.6
115.08669	4.5
116.07066	3.1
117.01852	4.5
119.04953	3.2
120.08086	2.8
123.04437	10.5
126.05521	3.8
127.03920	72.1
129.01857	6.9
129.10245	4.8
129.59656	1.9
131.04948	2.3
133.02846	8.3
136.07631	2.5
137.05977	7.5
141.05466	41.8
145.04964	45.4
147.02890	7.0
147.04349	4.6
149.05934	2.7
151.03905	2.5
159.02879	22.8
161.05957	1.9
162.06409	2.3
163.03925	4.4
164.07088	4.4
165.05482	20.1
171.04230	2.2
177.05484	4.3
179.07062	2.6
181.08409	1.9
183.06525	3.7
189.03900	14.0
189.05283	1.6
191.06845	1.9
203.06996	6.2
204.07411	2.2
207.06499	22.8
209.11702	2.6
213.03944	3.8
222.08542	2.0
231.04668	13.2
231.06735	6.1
248.07684	4.1
249.05780	1.7
249.07695	17.8
362.13654	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17440	3.9
55.05505	17.5
56.96564	7.1
57.07072	6.1
67.05508	75.5
69.07069	44.5
70.06592	4.3
71.04999	4.9
71.51825	6.7
72.36516	4.3
72.50304	3.8
79.05489	43.1
81.07056	100.0
83.04972	6.7
83.08630	21.2
85.06546	7.3
91.05489	28.9
91.56320	3.7
93.07045	50.5
95.04984	6.7
95.08608	99.6
97.06551	22.9
97.10178	13.8
98.97569	13.9
99.08067	6.6
105.07027	24.6
107.08606	29.3
109.06522	6.0
109.10163	41.0
111.08064	6.4
116.98594	6.0
119.08578	27.2
121.06598	4.3
121.10142	56.4
123.08076	10.0
123.11701	16.4
128.21217	4.0
129.07034	4.9
131.08575	14.0
133.10127	19.6
134.62241	3.8
135.08035	4.0
135.11687	32.2
137.05974	9.7
137.09592	8.5
137.13254	8.4
139.11177	5.3
145.10143	10.9
147.11693	28.7
149.13260	12.2
151.11212	4.6
157.10078	4.5
161.13240	17.7
163.14844	9.3
171.11661	6.1
172.58229	4.1
173.13274	11.1
175.14876	7.7
179.14365	5.2
182.30154	3.5
185.13280	8.6
187.14819	9.0
189.16394	4.9
199.14819	3.9
213.16629	4.3
232.99651	6.7
277.29663	4.3
297.25842	5.8
306.10007	5.0
309.28091	4.9
315.27005	24.2
333.27863	95.3
351.28885	52.8
405.22745	7.0
405.30994	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	405.2637
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03938	8.0
55.01866	9.4
55.05319	2.6
55.05510	26.9
57.03427	10.8
60.37432	2.6
67.05508	58.7
68.27674	2.6
69.03433	36.2
69.07064	26.4
69.39704	3.0
69.79309	2.9
69.84116	13.7
71.01286	2.6
71.04981	6.3
71.08616	3.8
73.47431	2.5
79.05493	54.7
81.03421	25.3
81.07056	72.1
83.04976	12.5
83.08611	13.3
85.02908	7.7
91.05482	45.6
93.07047	66.3
95.04977	14.4
95.08610	57.4
97.02882	12.0
97.06532	7.3
97.10172	6.2
99.04455	7.0
105.07031	60.3
107.04959	8.2
107.08595	42.6
109.02881	6.7
109.06520	9.0
109.10169	20.2
111.04436	12.1
111.08064	5.3
115.05415	2.9
117.07006	24.3
119.08580	56.0
121.06480	6.4
121.10149	31.0
123.04434	7.6
123.08070	7.1
123.11736	6.5
127.03884	3.0
128.06245	7.6
128.12915	2.9
129.07028	19.9
131.08586	46.0
133.06497	8.9
133.10135	38.4
135.08034	11.6
135.11723	19.7
137.05965	3.1
137.09648	3.8
141.06963	6.0
143.08575	23.2
144.09227	3.4
145.06461	6.9
145.10149	33.5
147.08005	8.4
147.11743	24.2
149.05956	4.8
149.09634	7.0
149.13257	8.6
151.07552	4.5
155.08553	10.8
157.06464	3.5
157.10139	16.1
159.08067	5.9
159.11705	25.1
161.09636	11.3
161.13234	15.8
163.11238	4.6
163.14874	3.9
167.08472	3.7
169.10156	8.8
171.08180	3.0
171.11656	17.7
173.13261	21.0
175.11227	7.8
175.14864	4.0
177.61382	2.6
181.10100	3.6
183.08064	4.0
183.11684	11.6
185.09583	4.3
185.13261	13.1
187.11185	4.2
187.14804	11.1
187.36304	3.2
189.12694	3.7
195.11664	3.9
197.13272	7.1
199.11140	4.3
199.14813	8.3
201.12807	5.5
209.13281	6.2
211.11191	4.2
211.14799	2.9
213.12761	5.6
213.16319	3.9
215.14334	4.1
217.12216	3.3
223.14877	3.3
227.14407	4.0
239.18019	3.4
259.20480	5.8
261.22089	4.0
271.20569	5.9
273.22095	12.8
277.21463	5.3
279.23254	3.2
285.21994	4.4
289.21585	4.6
291.23041	4.8
301.21661	9.7
303.23145	6.0
315.23257	12.7
317.05536	3.0
317.24698	3.4
319.19070	3.0
319.22693	11.5
323.23724	5.1
327.23190	10.4
331.22409	5.9
341.24780	14.7
343.23138	3.7
345.24167	8.2
351.23111	16.5
359.25891	4.5
369.24255	60.8
387.25299	63.8
405.26318	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
55.05513	7.7
56.31627	0.4
57.03441	5.1
57.07080	3.9
59.63742	0.4
67.05511	4.5
69.07069	8.5
69.28288	3.7
71.08638	1.6
79.05502	2.3
81.07059	4.6
83.04960	0.5
83.08627	7.5
85.10180	0.9
91.05486	0.7
93.07034	3.0
95.08613	3.5
97.06509	1.1
97.10178	4.9
98.21129	1.9
102.24771	0.4
107.08601	1.6
109.10166	1.5
111.08102	0.5
111.11725	1.7
113.00022	96.6
119.08579	0.5
121.10151	3.9
125.13274	0.4
131.48103	0.4
133.10149	0.5
135.11690	2.6
137.13257	0.5
139.01552	0.6
149.13252	1.1
151.01506	0.5
154.02686	0.8
169.02618	100.0
170.02904	0.7
173.13205	0.4
176.90886	0.4
197.61383	0.4
219.21120	1.9
237.22159	6.5
269.99985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2639
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03956	5.8
55.01865	10.6
55.05518	29.0
57.03438	6.5
57.07076	4.0
62.98733	2.2
65.03931	3.9
67.05510	61.8
69.03436	30.6
69.07068	23.4
69.42307	18.1
71.01376	2.8
71.04998	5.9
79.05500	50.8
81.03425	21.6
81.07062	66.5
83.04993	11.8
83.08640	12.8
85.02919	9.7
90.69005	2.6
91.05482	56.0
93.07047	55.2
93.07639	3.2
94.27271	2.6
95.04981	15.2
95.08617	45.0
97.02898	15.0
97.06538	6.7
97.10165	4.2
98.20803	4.9
103.05502	4.2
104.99315	2.8
105.07040	58.4
107.04951	10.5
107.08591	34.7
109.02861	5.5
109.06517	9.3
109.10172	27.2
111.04443	13.2
111.08060	6.4
115.03947	2.6
115.05469	3.4
117.07025	34.8
119.04980	3.4
119.08598	47.0
121.06520	9.3
121.10146	28.0
123.04449	6.0
123.08093	6.8
123.11707	7.5
125.06003	3.3
125.09619	3.7
127.03946	5.8
128.06247	6.2
129.07045	15.9
131.08578	48.3
133.06494	8.6
133.10136	33.5
135.08061	9.7
135.11720	13.3
137.05998	4.3
137.09608	4.9
139.07547	2.5
141.07024	6.0
142.07811	4.3
143.08588	19.2
145.06509	10.3
145.10133	41.7
147.08055	7.7
147.11720	26.9
149.05969	2.4
149.09627	7.3
149.13287	14.0
151.07634	5.5
151.19640	2.4
155.08565	11.0
157.06577	3.9
157.10120	19.0
159.08072	6.7
159.11699	24.2
161.09610	9.9
161.13234	15.1
163.11194	4.0
167.08580	4.9
169.10139	9.4
171.08031	2.9
171.11696	9.5
173.09616	6.4
173.13220	19.7
175.11206	5.0
175.14908	4.9
177.09135	2.6
177.12766	3.9
181.10184	4.6
183.08160	2.5
183.11763	9.6
185.09608	5.1
185.13280	12.2
187.11270	5.9
187.14813	4.8
189.12807	4.7
189.16408	3.9
195.11699	6.0
197.13316	5.7
199.11108	5.6
199.14877	8.2
201.12759	4.1
201.16299	3.6
203.14423	3.8
203.18095	2.8
209.13347	7.3
211.14867	6.0
213.12785	4.4
213.16495	5.1
215.14279	3.0
223.14894	3.2
233.15417	3.5
233.91902	2.8
239.18164	2.4
241.19456	4.0
259.20721	5.7
261.22223	5.4
271.20505	3.1
273.22125	8.2
275.20053	3.0
277.21799	5.6
285.22137	4.9
289.21814	8.5
291.23181	6.9
299.23892	3.6
301.21655	10.7
303.23166	9.1
313.21561	3.9
315.23309	12.9
317.24771	4.3
319.22760	10.5
327.23260	7.3
331.22723	4.7
341.24756	12.6
343.22522	2.7
345.24225	9.4
351.23233	15.8
359.25873	6.5
369.24255	50.1
387.25287	55.5
387.30060	3.8
405.26401	100.0
405.31009	4.2
416.77603	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1547
Annotation	Nitidanin
Peak:m/z	Relative Intensity
53.03938	2.2
53.15993	0.7
55.01865	2.0
55.05510	1.5
57.55493	0.8
65.03943	7.6
67.05489	3.8
69.03416	2.7
69.07053	2.2
70.06596	1.7
71.02805	1.5
79.05505	5.8
81.03436	4.3
81.07051	2.1
82.04187	2.6
84.08156	0.9
85.02916	4.3
86.09692	1.3
91.05500	4.7
93.03409	2.9
93.07063	1.0
94.04172	1.2
95.04951	3.7
95.08610	1.2
97.02894	1.9
97.06523	2.5
98.97578	1.9
103.05450	1.4
105.04465	0.9
105.07024	1.5
107.04962	17.6
108.02089	1.9
109.06502	1.5
110.03655	2.4
111.04432	2.2
115.05488	4.4
116.66223	0.7
117.07018	3.6
119.04935	2.6
119.08539	1.3
121.06486	2.7
122.03629	3.0
122.77696	0.9
123.04401	2.7
124.05192	2.0
125.05990	3.8
127.03954	1.6
128.06197	2.3
129.07011	7.5
131.04936	2.8
131.08604	1.2
133.02881	1.0
133.06502	2.5
135.04408	1.1
135.08177	0.8
137.05986	38.0
138.03102	2.4
142.02609	3.1
143.04921	3.8
144.05664	1.7
145.06490	5.0
147.04443	4.7
147.05382	0.9
147.08060	2.0
149.06004	2.3
151.03928	16.0
151.05005	1.6
151.07466	0.9
152.04657	2.1
153.05475	4.8
155.04922	1.1
157.06503	7.6
159.04422	0.9
159.07988	2.0
160.05205	1.3
161.05939	7.1
161.09601	1.8
163.07568	1.2
165.05487	2.1
167.03300	1.0
167.07062	39.6
171.04459	4.4
171.06496	2.9
172.05128	4.7
173.06013	2.8
174.06770	1.8
175.07613	4.4
176.04655	1.2
177.05473	2.2
179.07043	3.0
181.04973	100.0
187.07513	5.4
188.04643	1.1
189.05458	3.0
189.09119	9.1
191.07004	3.7
195.06528	3.4
200.04857	1.9
201.05370	1.1
203.07004	10.6
203.08694	0.8
205.08536	4.5
206.05763	3.3
207.06454	1.2
209.08170	1.0
215.06960	1.6
215.14403	0.9
217.08606	1.0
218.05754	2.6
219.06447	1.6
219.10217	1.0
221.08060	8.9
233.08099	41.1
234.06642	1.4
235.09715	2.7
237.08772	0.8
245.07991	2.0
246.13217	1.4
247.07660	1.0
248.07965	1.0
249.09053	1.0
251.06920	1.3
251.09167	4.4
263.06836	1.2
263.09158	9.2
265.08563	1.7
266.09207	1.0
272.14490	4.2
276.07837	0.9
277.08615	2.4
279.06656	1.2
279.10016	1.3
293.08170	1.8
295.09543	1.0
301.07019	1.5
305.08105	1.4
307.09787	1.4
309.11169	2.7
316.09125	1.4
325.10690	2.2
326.11469	0.9
327.12164	1.4
337.10800	4.1
339.12341	1.2
341.13852	1.9
342.10968	1.9
351.12161	3.6
357.13431	11.9
361.06732	0.9
361.12024	1.0
369.13358	8.6
375.14404	1.9
387.09409	1.7
387.14383	30.3
405.11285	3.2
405.15811	2.1
405.22507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1547
Annotation	Angeliferulate
Peak:m/z	Relative Intensity
53.03956	3.9
55.01884	4.2
57.03437	0.8
60.36860	0.7
65.03943	6.4
67.05499	2.3
69.07071	1.0
70.06593	2.0
73.04513	0.7
75.04482	5.1
77.03940	1.4
78.04709	4.4
79.05500	4.8
81.03424	2.1
81.07052	1.6
84.08142	1.7
84.45576	0.7
85.02921	4.3
86.09709	1.9
89.03922	2.3
89.06051	1.2
91.05489	20.8
93.03413	15.4
93.07054	8.9
95.04993	5.8
97.06521	3.5
98.09690	1.9
98.21515	2.1
103.05486	7.7
105.03368	0.7
105.04561	1.0
105.07027	2.6
106.04186	37.6
107.04990	4.0
107.08602	1.0
109.02888	0.9
109.06502	1.6
111.04461	0.8
115.05453	1.5
117.03387	2.4
118.04157	1.1
119.04950	2.5
119.08585	0.8
121.06522	37.9
122.07318	1.4
123.04446	2.4
123.08059	0.8
124.05217	1.7
125.05186	1.0
125.06019	11.5
131.04935	1.1
133.06517	1.8
134.03633	6.2
135.04468	3.6
137.05980	9.6
138.06821	1.2
139.07561	3.3
143.04909	0.8
145.02875	2.1
145.56250	0.8
147.04414	3.0
148.05185	2.6
149.06001	58.8
151.03934	21.1
151.05063	1.5
151.07552	2.7
152.08324	1.1
153.05508	4.2
153.09125	16.6
157.06544	0.9
161.06006	2.2
163.03915	2.1
163.07526	2.4
165.05466	1.3
166.06192	1.2
167.07066	7.7
167.18555	0.7
177.05495	28.4
178.06281	4.1
178.07678	0.6
179.07053	2.4
180.07918	0.8
181.05043	5.0
181.08618	29.6
181.10239	1.5
182.09343	0.8
187.07523	1.3
189.05414	0.8
189.09003	0.8
191.07036	2.2
195.06479	1.3
196.07292	1.3
203.06989	1.7
205.08632	0.9
209.08115	100.0
210.08730	1.4
225.88985	0.8
233.08075	3.2
246.11267	0.8
246.13300	4.6
252.33762	0.8
387.14474	2.4
405.22839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1184
Annotation	Conyzatin
Peak:m/z	Relative Intensity
55.05504	0.9
67.05511	1.7
71.51998	1.3
81.07074	0.9
83.08653	0.8
84.08081	0.9
85.02904	1.3
91.05447	0.8
93.07033	1.8
95.08610	1.8
98.97594	1.4
99.04455	1.1
105.07035	1.7
106.58755	0.8
107.08599	1.2
113.02380	2.1
127.03930	1.4
129.06982	0.7
133.06500	0.9
147.04407	1.0
154.99759	1.2
157.10101	0.9
159.11734	1.0
161.05965	1.6
162.93616	0.9
163.03979	2.3
164.04713	2.8
165.09190	0.9
167.07022	2.6
169.01349	7.1
177.05487	4.0
178.06253	3.5
179.07011	1.8
183.02873	1.9
191.07036	2.5
193.08675	2.4
193.79538	0.8
195.02979	0.9
197.00781	8.1
198.01665	1.2
202.00990	1.1
212.03169	1.3
213.03880	1.5
215.01834	4.7
221.08434	0.8
232.05948	0.8
276.06348	0.9
311.05240	1.1
314.04340	1.3
317.02966	1.3
329.06424	2.0
331.04587	1.5
332.05270	2.0
339.05170	1.3
341.06631	1.5
342.03903	1.5
343.04721	1.0
344.05283	2.2
347.07520	3.9
357.06024	5.8
359.07626	5.0
360.04788	2.9
372.08569	4.3
375.07114	31.5
390.09424	6.1
405.11823	100.0
406.12186	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30675	1.1
53.03949	2.0
55.01869	5.5
55.05512	1.7
65.03941	8.6
67.05493	5.7
69.03413	3.6
69.07052	1.9
69.30302	8.1
69.30721	3.5
70.06593	3.9
71.01346	2.0
72.08156	2.2
79.05486	7.9
81.03413	5.3
81.07050	4.0
82.04189	2.9
84.08124	2.3
85.02899	6.0
86.09692	3.0
91.05485	44.2
93.03367	2.0
93.07037	2.9
94.04166	1.8
95.04971	7.2
95.08600	2.7
97.06536	2.4
98.97578	4.9
103.05450	5.9
105.03405	13.2
105.07051	6.4
106.04200	2.0
107.04974	14.2
107.08570	2.1
108.02073	1.4
109.06529	9.3
109.10143	2.7
110.03718	2.5
111.04436	3.1
112.00399	1.3
113.32964	1.3
115.05463	2.5
116.98652	2.1
117.07030	2.7
119.01929	1.4
119.04943	48.7
119.08582	1.5
121.06518	5.0
121.10153	1.8
122.03645	3.6
123.04443	7.1
123.08038	2.9
123.11717	1.9
124.05215	4.4
125.05999	5.6
127.03901	2.1
128.06216	1.8
129.06996	4.9
131.04945	6.5
131.08575	2.6
133.02853	11.7
133.06502	12.2
135.04390	4.3
136.05240	2.3
137.05988	42.8
139.03918	1.5
140.04686	3.9
142.02606	2.3
143.01883	1.8
143.04922	2.2
145.06473	3.1
147.04413	18.9
147.08051	2.7
149.05978	4.0
151.03928	13.0
151.07545	29.5
153.05469	14.1
155.07036	6.4
157.06502	7.2
158.99702	1.7
159.08038	2.3
161.05988	10.6
161.09608	1.8
163.03865	1.4
163.07541	1.7
165.05495	19.9
166.06258	3.2
167.07043	35.8
167.08437	2.7
168.07437	1.9
171.04378	2.5
171.06529	2.5
172.05197	3.4
173.05971	2.2
175.07562	6.7
176.04660	1.8
177.00842	1.8
177.05472	7.5
179.07042	20.9
179.08562	1.7
180.07835	14.0
181.04959	100.0
182.05481	1.8
183.06566	2.9
184.06984	1.3
187.07565	9.2
189.05432	2.2
189.09160	4.7
191.07104	2.8
193.04967	6.6
193.08595	2.4
195.06595	1.4
197.08067	1.9
203.06973	9.3
205.08661	6.2
206.05768	2.1
207.06493	9.0
208.07314	25.6
209.07953	3.1
215.07034	1.8
218.05721	1.9
221.08102	6.1
223.09840	1.9
225.07561	28.0
225.10930	1.4
226.08366	17.2
233.08090	26.5
235.09698	1.8
247.07478	1.4
249.09084	1.4
251.09367	2.5
263.09122	4.3
263.13849	1.9
272.14584	18.5
272.64700	3.1
277.08347	1.6
293.08322	1.6
301.07306	1.7
309.11206	3.0
315.14749	1.9
325.10757	1.5
337.10693	4.3
341.13934	2.1
351.12375	2.4
357.13483	6.9
369.13309	6.4
375.87531	1.4
387.14392	17.7
405.15799	6.0
405.22653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
55.69568	1.0
56.05039	46.5
57.03435	1.1
57.07079	6.9
60.88697	0.6
61.01147	0.7
65.00643	1.1
67.05502	4.0
69.07053	2.1
69.36897	5.3
71.08633	4.4
74.02443	70.6
74.06072	2.1
75.02706	29.0
79.05491	0.9
81.07054	2.7
83.08620	2.4
84.04511	1.9
85.01146	0.8
85.02901	1.6
85.10179	2.0
93.07030	0.8
95.08601	4.0
96.08121	0.9
97.10177	1.0
102.05544	11.2
107.08587	1.0
109.10154	1.5
112.07598	1.1
120.04778	2.1
131.01598	1.9
148.04240	2.3
149.02675	17.3
159.99004	0.9
166.05345	100.0
189.77126	0.7
202.67186	0.6
264.26849	5.3
277.32376	0.8
294.27930	21.1
336.66360	0.8
340.28467	99.9
341.28961	0.8
386.26993	3.5
404.28653	6.5
404.33414	1.1
404.39944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73586	0.8
69.03433	1.1
69.65838	1.8
69.66248	3.6
70.06582	2.4
72.08165	1.8
84.04496	0.9
84.08149	1.9
85.02901	1.6
86.09702	2.6
89.03909	6.7
97.02886	1.5
117.03386	18.4
127.03875	1.2
129.10260	1.3
134.03633	1.7
145.02858	44.9
149.05977	7.5
162.03275	1.0
167.07117	1.8
177.05482	100.0
181.04974	3.3
182.05350	1.3
189.09103	0.9
189.12761	2.3
404.14462	2.1
404.19794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	12.7
70.55943	2.2
71.95269	3.0
79.05488	0.8
82.47732	0.6
94.04193	1.6
98.20916	0.8
98.97589	100.0
116.98627	39.6
119.37929	0.6
122.03645	4.4
134.91486	0.5
134.99680	9.7
137.05991	39.4
140.00211	5.7
153.00763	0.9
158.01288	1.6
179.00240	1.4
193.01703	0.8
197.01239	1.6
208.10123	0.9
211.02800	1.2
220.00470	2.2
224.09639	1.5
226.11180	17.2
228.53964	0.6
235.02791	59.3
236.03183	0.6
238.01434	1.6
244.12236	6.4
253.03856	69.7
254.04147	0.8
267.13733	0.9
268.12195	4.1
271.04932	1.9
276.05426	12.0
280.12225	1.2
329.13065	1.2
344.15375	6.1
362.16415	1.2
404.17459	86.2
405.17810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.05511	10.9
57.07067	10.9
59.04999	3.9
67.05505	29.3
68.99797	5.2
69.07076	34.4
69.81432	21.4
71.04978	5.4
79.05503	18.9
81.06662	4.6
81.07079	57.8
83.08608	9.8
84.29223	3.5
91.05486	14.2
93.06553	5.1
93.07056	45.6
95.04980	4.9
95.08613	70.4
97.06520	11.6
97.10160	6.1
97.91060	3.2
98.21491	6.4
105.07051	47.6
107.08607	48.5
109.06507	6.4
109.10172	58.4
111.08074	8.9
117.07016	4.4
119.08588	40.6
121.10149	36.5
123.11700	14.4
124.73891	4.0
127.11209	4.5
129.01851	15.0
129.06975	4.0
131.08563	18.7
133.10139	34.1
135.11703	22.1
137.09557	9.5
137.13237	3.9
139.00226	4.1
142.07735	4.2
143.08562	7.0
145.10139	20.7
147.11685	20.0
149.09621	5.0
149.13303	20.4
151.11255	17.0
155.08585	5.4
157.01271	4.6
157.10120	16.3
159.11729	25.1
161.13281	19.4
163.14825	8.2
165.12721	4.4
168.06583	3.6
169.10124	8.9
169.12297	3.9
171.11714	12.4
173.13309	17.3
175.14828	17.2
177.16281	5.1
183.11697	8.7
185.08095	9.0
185.13274	8.7
187.14836	9.5
189.16356	5.5
191.18021	5.2
193.15826	4.5
195.11699	6.9
197.13237	9.9
199.14871	20.3
201.16400	11.7
203.18111	5.3
211.14789	9.5
213.16331	8.8
215.17995	17.1
217.19579	4.9
223.14943	4.1
225.16307	6.4
229.19487	9.5
237.16391	4.7
239.18085	4.7
241.19446	9.4
249.16327	6.0
251.17992	4.1
255.21198	6.0
265.19589	6.6
267.20944	4.2
269.22586	4.5
274.26498	3.8
286.27142	3.8
291.21005	7.2
293.22537	4.5
310.98621	4.2
337.18668	4.1
347.27386	5.9
367.29962	8.9
372.39352	3.7
385.31085	41.6
403.33585	100.0
403.39203	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	403.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76746	1.2
52.63324	1.1
57.07065	1.6
69.07064	1.4
71.53546	1.8
79.11990	1.2
81.07051	2.4
83.79322	1.0
91.05493	2.1
93.07032	1.4
95.08607	2.1
129.01857	6.0
139.00349	1.4
157.01346	2.8
185.08147	2.6
221.84743	1.2
371.25598	100.0
372.26068	1.2
385.27191	15.9
403.20135	1.8
403.28192	42.9
403.31937	2.3
404.37662	1.3
415.14398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
55.01871	4.8
55.05511	18.6
55.10692	2.4
57.07069	3.7
58.86123	2.5
65.03944	5.1
67.05505	52.7
69.03425	4.3
69.07074	27.7
70.06602	2.6
70.89646	5.3
71.01362	2.5
71.04983	8.2
73.60793	2.6
79.05495	50.0
81.03425	6.7
81.06589	4.4
81.07059	68.3
83.04979	8.4
83.08618	11.4
84.08127	2.6
85.02885	4.7
85.06523	4.7
91.05477	35.7
93.07048	50.3
95.04974	7.4
95.08612	62.0
97.06530	10.3
97.10158	7.8
103.05471	13.2
105.07037	25.8
107.04951	31.0
107.08594	23.2
109.06528	7.4
109.10171	23.6
110.03680	3.8
111.04446	8.2
111.08076	6.4
115.05468	6.8
117.03307	4.3
117.07002	11.9
119.05016	3.2
119.08570	22.8
121.06516	8.0
121.10143	36.2
122.03607	3.2
123.04441	7.2
123.08077	5.0
123.11707	11.6
124.05221	4.2
125.06006	7.0
129.01852	3.2
129.05490	2.5
129.07024	6.9
129.59746	2.6
131.04958	15.3
131.08618	12.5
132.05753	2.6
133.02881	4.0
133.06511	8.0
133.10144	17.9
135.08073	7.0
135.11682	25.2
137.05992	10.5
137.13249	6.0
138.03149	6.1
139.03926	7.4
139.07596	3.1
139.11171	2.4
143.08569	3.3
145.06479	4.4
145.10095	11.9
147.08025	4.2
147.11685	12.2
149.06003	7.1
149.13286	13.4
151.03920	9.1
151.07529	3.9
152.04703	3.3
152.13873	2.4
153.05464	38.0
157.10161	5.0
159.04424	5.9
159.11690	9.3
160.05217	6.2
161.05991	10.2
161.11969	2.4
161.13260	10.6
163.07549	5.2
163.11272	3.5
163.14781	5.5
164.07083	3.5
165.05502	8.6
167.03424	10.8
167.07047	100.0
167.14258	2.7
168.07382	6.6
171.11650	3.7
173.13306	6.3
175.07600	6.7
175.11131	2.9
175.14867	6.3
177.05460	24.6
177.16441	3.7
181.04944	37.2
185.13208	5.0
187.14873	3.8
189.05481	4.5
189.16432	3.1
191.07004	5.0
192.07726	5.8
193.04907	5.0
193.08554	6.2
195.06557	2.9
201.05365	4.0
203.07263	3.0
205.08627	5.4
207.06561	4.2
209.07951	3.0
211.14809	3.4
217.08641	3.0
219.06482	17.6
219.13930	3.5
231.06558	4.3
233.18964	2.5
235.09692	4.9
241.08682	3.3
243.15781	4.8
251.06985	3.1
269.08038	4.4
271.24243	6.9
279.06564	5.1
283.09656	2.7
285.25510	3.2
289.25256	10.2
293.08157	3.4
295.24231	5.4
301.10779	8.9
307.26312	13.2
311.08929	3.8
313.25272	9.4
317.09189	4.4
331.26303	50.4
332.11584	7.7
332.26822	3.4
349.27368	39.7
349.64026	3.2
353.10059	3.2
367.11942	4.2
367.28531	15.7
373.12695	8.5
375.14337	11.1
385.12216	3.2
385.29315	6.9
403.13770	19.1
403.29703	3.8
404.28897	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95109	0.6
55.01870	1.4
55.05515	9.7
56.05039	3.9
56.93368	0.7
56.96564	1.3
57.03466	1.5
57.05816	0.7
60.04518	2.8
60.05667	0.7
61.01141	0.8
61.02925	2.4
65.03940	0.7
68.99791	1.8
69.03420	4.4
69.07065	4.5
70.02963	0.7
70.06596	18.3
71.04974	1.0
71.06960	0.7
72.08159	95.5
73.02905	0.7
73.08480	1.3
74.06075	3.6
75.05611	2.0
79.05489	1.1
81.03416	2.5
81.07066	1.6
82.06577	1.3
83.06099	1.4
84.04507	9.6
84.08147	15.1
85.02908	13.4
86.09710	100.0
87.00825	2.9
87.05564	0.8
87.10046	1.8
88.03996	4.0
91.05488	3.7
95.04962	0.8
95.08660	0.8
97.02890	4.1
98.06059	1.2
98.20703	1.2
98.97582	4.3
99.04379	0.7
101.07162	1.4
102.05545	3.0
102.08336	0.7
103.03963	1.1
103.05489	1.6
104.05304	1.3
105.01868	2.0
105.07045	5.1
107.04962	1.2
109.02869	2.3
109.06536	0.8
110.07161	5.0
112.08731	1.3
113.07154	0.9
115.05487	1.1
115.08684	3.5
116.07098	9.3
116.98615	2.2
119.04981	1.5
119.08657	0.8
120.08079	2.6
121.06470	1.8
123.04419	2.9
126.05492	0.8
127.03912	3.1
127.05025	4.1
127.08682	0.8
128.06224	1.4
129.01852	3.3
129.07068	3.2
129.09267	0.8
129.10242	15.0
131.04927	1.9
132.10201	6.4
133.06532	4.1
134.04488	0.9
135.04457	1.4
135.08075	1.0
136.07555	0.9
137.05992	6.6
141.10248	0.9
143.04918	2.0
143.08379	1.4
143.11803	14.1
144.06593	3.1
145.05037	1.5
145.06313	2.0
147.02892	0.9
147.04388	3.9
147.07957	0.8
148.06114	1.2
149.05989	2.0
151.03880	1.8
151.07553	8.8
153.05466	0.7
153.06993	2.1
153.09023	0.7
155.08224	1.1
157.01306	0.8
157.06502	3.6
157.09747	5.8
158.09274	0.7
158.99683	1.9
159.07800	0.7
159.11511	0.9
161.05986	9.1
161.09181	3.5
162.07677	0.9
163.03883	1.4
165.05472	7.4
167.07011	1.3
169.09737	1.6
171.02876	0.9
171.08015	1.3
171.11284	5.9
173.05766	2.5
173.12759	1.0
175.07521	5.1
175.10745	2.2
177.00630	1.4
177.05453	2.9
177.08714	1.0
179.07042	9.7
181.04929	1.2
181.06422	1.5
183.11237	1.1
185.05986	1.9
185.12872	1.4
187.10812	3.4
187.14426	1.3
189.03958	4.1
189.05447	1.1
189.12375	3.6
191.07002	1.2
196.06055	0.8
199.07513	2.6
199.18040	2.6
201.12360	4.8
203.07036	7.6
203.13881	1.2
205.08595	1.4
205.12137	1.2
212.09206	1.1
215.10234	2.8
217.08542	2.0
219.01714	1.9
219.13318	1.0
221.08139	5.9
223.09642	3.3
225.15971	2.1
227.06956	2.1
227.17575	0.9
229.11847	3.4
229.15485	1.5
233.11342	9.3
237.02835	1.9
237.13374	1.0
240.13551	3.5
241.10457	1.8
245.08093	8.5
247.12909	12.4
256.16605	1.6
260.06418	0.7
261.14429	3.0
263.09155	8.4
270.14606	3.5
270.18039	3.1
272.12381	7.0
286.13736	1.2
290.13516	0.9
304.11862	0.8
304.14957	4.7
317.09592	0.8
333.07828	1.1
349.09006	2.7
367.10080	0.9
371.10986	0.7
385.20309	1.0
385.24564	1.5
397.07797	1.1
403.15726	19.7
403.21426	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	403.178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
60.05652	2.1
67.27535	0.6
68.05028	0.6
69.03426	1.8
69.07063	1.0
70.06597	15.8
71.04995	0.8
71.50568	0.6
72.08160	5.9
74.30183	0.6
84.04519	2.1
84.08148	5.3
85.02902	1.8
86.09714	11.7
86.10190	1.1
87.10058	0.7
88.03981	1.0
91.05477	0.9
97.02891	1.5
98.06061	0.8
98.97600	1.3
101.00890	1.1
110.06081	1.1
110.07180	1.3
112.08752	3.0
115.08770	1.3
116.07126	2.2
116.98634	0.6
118.08673	2.5
129.10278	2.3
130.09712	0.8
131.01956	1.4
132.10210	1.7
135.04388	0.6
136.06174	3.8
137.05991	0.7
137.06619	0.7
140.98900	0.9
143.01907	0.8
152.05728	1.7
152.06958	0.7
154.08678	0.8
155.01888	0.6
156.10213	0.7
157.03497	1.0
158.03072	1.5
158.09305	1.3
158.99945	2.3
161.01634	0.6
161.03003	0.8
172.08243	1.2
175.11900	5.2
176.04091	1.6
177.00974	15.9
177.02420	1.0
177.05424	1.0
178.01001	0.7
185.03017	0.8
189.00952	2.8
194.15416	0.5
198.09856	1.3
201.00940	0.7
201.12437	2.1
205.00371	2.9
219.02272	0.7
221.04939	0.6
224.06181	1.1
225.17146	0.9
226.09344	1.0
240.05806	1.9
240.10945	2.9
241.11237	5.6
242.07262	15.7
244.10371	2.1
245.05101	1.1
254.07002	6.0
256.08823	8.9
261.06683	1.1
270.06735	0.6
270.19498	0.8
271.17789	0.9
272.01929	0.8
272.08490	17.2
273.08365	1.0
274.09781	3.2
278.10275	0.7
284.08347	1.2
288.20334	5.3
290.01782	0.8
290.09564	15.4
290.16394	0.8
291.06656	0.6
291.09946	0.9
302.09497	2.7
308.07205	0.9
308.10437	3.4
337.14804	2.8
346.60846	0.7
347.12714	0.6
355.15637	0.6
365.84729	0.7
367.09207	1.2
367.11288	0.8
367.15497	4.7
385.16986	3.7
386.20560	0.6
402.69427	1.9
403.17896	100.0
403.23215	17.8
403.69562	1.5
404.18097	4.7
421.15421	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01864	3.1
57.00374	0.7
59.27800	0.6
61.89183	0.7
65.03935	2.9
67.05482	2.0
69.03448	0.8
70.06570	0.9
71.01371	3.5
78.04715	1.4
79.05508	3.7
80.06268	1.4
81.03393	0.6
81.07046	2.0
85.02884	1.6
86.09703	1.0
91.05486	34.7
93.03419	1.2
93.07034	1.4
94.04219	0.8
95.04957	4.4
95.08609	1.5
96.61294	0.7
103.05447	3.4
105.03403	0.9
105.07031	3.2
105.11195	0.6
107.04964	7.4
107.08574	1.3
108.02094	1.0
108.05726	3.0
109.02909	0.7
109.06522	0.7
111.04439	1.7
111.45316	0.6
114.40103	0.7
115.05437	0.8
117.03320	1.1
117.07060	0.8
118.04180	3.7
119.04126	1.1
119.04950	22.5
119.08588	1.3
121.02847	2.5
121.06518	3.9
121.10129	1.1
123.04435	2.8
123.08073	1.4
124.05181	1.5
125.06024	3.7
129.01831	1.0
131.04904	1.7
133.02864	2.0
133.06473	2.1
134.03648	1.9
135.04428	7.5
136.05208	10.9
137.05951	2.7
141.05469	1.1
146.03615	4.7
147.04419	9.4
148.05225	3.5
149.05980	2.5
150.06746	5.0
151.03912	60.8
151.04996	4.0
151.07538	24.6
153.05472	8.7
159.04420	1.7
161.06024	4.7
162.03105	1.4
163.03938	3.4
164.04701	7.1
165.05505	1.9
167.03409	2.3
167.07047	11.1
175.07588	1.3
177.05476	6.8
178.06259	24.7
179.07040	14.3
181.05000	3.8
185.08109	0.9
187.07625	0.9
191.07054	2.3
193.05028	1.0
194.05743	0.9
195.06532	5.7
196.07329	19.1
201.05521	0.9
203.07059	2.1
207.06534	100.0
208.07278	1.1
209.08041	3.9
219.06581	0.9
221.08084	1.2
235.09654	3.2
257.53433	0.7
297.24960	0.7
315.08942	0.7
332.11734	0.8
343.12524	1.1
371.12125	1.4
373.12772	1.9
375.14404	0.9
378.19568	0.8
385.12643	0.8
403.13818	4.4
403.27783	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95850	1.3
53.03946	2.7
54.54605	1.3
55.01860	3.0
55.05515	8.6
56.05034	3.0
57.03436	2.4
60.04529	2.4
61.02924	3.7
62.99303	1.4
65.03922	1.5
67.05516	1.4
68.99794	3.2
69.03432	11.3
69.07066	6.3
70.06592	20.7
70.31247	1.4
72.08158	86.1
73.02906	3.2
73.08471	2.0
74.06065	3.2
75.05599	2.4
78.21136	1.3
79.05502	2.6
80.89803	1.3
81.03416	6.5
81.07056	2.7
83.04964	2.4
84.04521	9.5
84.08144	17.5
85.02908	33.3
86.09707	100.0
87.00826	14.0
87.05592	1.5
87.10059	1.5
88.03983	4.8
91.05479	6.8
91.33063	1.4
93.07056	10.5
95.04990	2.5
96.08179	1.1
97.02885	11.6
98.21531	2.5
98.97568	2.2
99.04436	3.2
102.05550	3.2
103.03931	3.9
103.05445	1.9
105.01870	5.7
105.07045	10.2
107.08628	1.6
109.02910	6.2
109.06534	1.4
110.07137	4.3
112.08723	1.9
115.05431	2.9
115.08695	1.8
116.07102	7.2
116.98582	1.4
117.06946	1.2
119.04929	4.1
120.08144	1.8
121.06503	25.5
123.04417	3.8
126.33324	1.6
127.03911	12.1
127.04900	2.3
127.07624	1.4
127.08635	1.8
128.06192	2.5
129.01840	5.4
129.07042	6.6
129.10242	17.4
131.04936	2.8
132.10217	5.3
133.06532	9.5
133.94542	1.3
135.04399	2.7
137.05975	14.1
143.04909	4.7
143.08513	3.4
143.11810	9.8
144.06531	5.4
145.04956	3.5
145.06483	3.1
147.02907	2.1
147.04405	8.0
149.05933	4.4
151.03903	2.3
151.07542	19.5
153.07039	2.3
157.06520	8.0
157.09732	7.0
158.99634	1.5
159.02887	3.0
159.11635	2.6
160.05225	1.6
161.05988	18.4
161.09227	5.7
163.03931	4.3
163.92308	1.2
165.05475	22.6
165.10229	1.9
167.06996	1.8
171.02937	2.2
171.08015	2.8
171.11288	4.8
173.05815	3.9
173.12730	1.6
174.06760	1.3
175.07571	11.2
175.10817	4.1
177.05507	4.1
179.07037	30.7
181.06473	2.9
185.05963	5.8
185.09164	1.7
185.12872	3.0
187.07516	2.5
187.10870	4.6
189.03951	8.3
189.05515	2.8
189.09135	1.8
189.12404	8.0
191.06976	2.0
199.07535	4.3
200.13744	1.4
201.05360	1.5
201.12341	6.2
203.07050	18.1
205.08601	2.2
205.12206	13.2
207.06496	1.6
215.10280	4.7
215.13896	2.0
217.08575	5.3
219.06575	1.7
221.08127	16.7
223.13293	3.8
225.15924	2.2
227.07074	6.2
229.11838	4.5
229.15446	2.0
233.08061	2.8
233.11319	7.3
240.13446	2.1
241.14154	1.9
245.08128	23.0
247.12839	14.9
261.14566	1.3
263.09201	21.5
270.14502	3.1
270.18097	4.1
272.12411	5.0
304.15097	2.8
319.53238	1.4
328.18491	1.6
349.09213	5.5
367.10162	1.9
403.10272	1.6
403.15250	3.3
403.22351	3.4
403.26929	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01868	2.3
55.05519	54.3
56.96563	1.4
57.03436	1.4
58.99585	5.1
59.04996	1.2
59.61690	1.0
60.04504	1.2
61.01145	1.9
67.05515	1.2
69.03439	5.5
69.07056	2.3
70.06606	14.4
71.04971	2.8
71.51676	1.0
72.08165	9.5
74.06071	1.7
75.04486	1.1
75.39648	1.2
77.00631	8.0
78.03397	1.1
79.05486	2.8
81.03417	1.7
81.16165	1.2
83.06133	1.0
83.08628	100.0
84.04512	3.7
84.08164	6.1
85.02911	9.1
85.06565	1.3
86.09721	16.5
86.99040	3.3
87.04455	1.9
88.03967	1.3
89.00622	4.1
91.05490	2.7
93.07053	2.8
97.02929	5.0
98.97579	2.6
101.09669	21.2
105.00092	7.6
105.07034	1.5
107.04968	1.3
107.08552	2.4
108.08929	1.3
110.07146	2.5
111.04465	2.5
115.05862	1.2
115.08707	1.6
116.07115	2.0
117.06986	1.4
119.04935	1.7
119.08575	1.2
120.08105	2.6
121.06489	2.0
121.10168	1.3
123.01127	2.9
124.03938	4.1
125.02353	1.3
125.09544	1.1
127.03961	1.2
129.05498	2.8
129.10257	3.9
131.08549	2.0
132.08939	1.4
135.01115	1.4
135.04384	1.2
137.05980	2.6
140.03455	1.3
147.04442	1.3
147.06544	1.6
149.06071	1.3
149.09657	5.0
150.09982	4.7
154.08653	2.1
159.08418	8.2
163.11183	1.2
164.11536	2.7
165.09113	1.4
167.06979	1.2
167.10732	2.2
168.11005	2.0
174.10001	1.4
175.06015	3.0
177.05513	2.0
191.10689	2.0
192.10980	5.6
193.07094	1.1
205.08957	43.8
209.11781	1.1
210.12158	2.7
210.55817	1.2
223.10014	52.7
229.15518	1.9
326.94678	1.2
384.17682	1.8
402.19006	2.2
402.28928	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65514	1.2
54.17738	1.2
55.01871	2.5
55.05519	12.1
55.32129	1.3
56.05047	1.8
56.05848	4.4
57.03440	14.5
59.04996	5.7
60.04526	3.1
60.05663	1.5
61.02932	2.6
69.03435	54.1
70.06595	14.0
71.05009	3.1
71.30465	2.3
72.08157	15.7
73.02941	2.6
73.06562	100.0
81.03418	3.0
83.06104	2.7
83.08628	14.2
84.04510	7.7
84.08150	11.1
84.08958	8.3
84.46719	1.2
85.02912	54.2
86.09710	10.4
87.04476	43.3
91.07600	17.9
97.02901	53.0
97.03534	2.7
98.97604	2.5
99.04483	3.3
100.17149	1.3
101.09676	3.9
102.10003	1.4
102.98514	1.9
103.04021	1.5
107.04971	2.2
109.02897	1.9
110.07204	2.7
110.97616	1.3
112.08747	1.7
115.03938	83.6
116.07121	1.9
118.08760	1.8
120.99570	8.6
123.04459	1.3
127.03925	7.6
129.10275	5.5
130.05003	1.4
133.04977	81.5
133.08635	1.4
136.07576	2.8
137.05992	2.0
139.89284	1.5
145.04979	8.8
150.07666	3.8
157.47696	1.6
161.05913	1.6
163.03929	2.5
163.05989	2.8
169.04825	1.5
183.11266	1.8
200.10326	1.9
200.13934	1.9
223.11873	6.2
237.02930	2.0
239.09590	6.9
240.09828	12.3
240.31516	1.4
241.07063	2.6
253.12796	9.8
259.08087	2.7
277.09286	2.0
295.10208	5.0
336.85257	1.6
345.68076	1.5
402.24463	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.8
55.01870	11.1
57.03445	8.9
61.02934	8.5
65.03960	1.6
67.05519	1.7
68.99780	5.7
69.03049	1.9
69.03431	35.1
69.07077	2.5
70.06595	15.4
70.66400	1.9
71.05000	9.1
72.08164	12.4
73.02923	12.4
78.01595	2.0
79.05500	4.2
81.03423	32.9
81.07070	2.6
84.04485	3.7
84.08138	7.3
85.02909	100.0
86.09710	16.3
87.00834	40.2
87.04479	5.0
87.97202	1.8
91.03962	3.9
91.04906	2.5
91.05481	49.9
91.06027	3.4
92.05819	2.3
96.08966	1.8
97.02895	64.7
98.97536	1.8
99.04464	16.8
103.05459	2.3
105.01875	56.1
107.04945	5.7
108.05277	2.0
108.08115	2.3
109.02883	31.9
111.04465	2.9
116.07078	3.3
117.01875	4.2
119.04945	70.0
120.08116	1.7
121.06518	2.9
123.04438	10.8
124.04745	2.0
127.03922	84.9
129.01828	2.9
129.10260	3.0
131.04950	2.9
133.06448	2.0
136.07565	3.9
137.05986	92.8
145.02858	2.4
145.04965	55.7
147.02916	4.0
154.08629	35.3
154.09830	2.7
159.02896	27.5
159.07993	2.2
161.05919	2.9
163.03992	2.4
163.07521	2.5
167.07089	11.0
168.07388	7.7
175.06079	2.0
176.06288	2.0
177.04036	2.3
177.05502	5.7
181.04938	6.3
205.08504	2.5
209.05594	3.8
213.03918	6.3
218.09052	4.2
220.08388	2.3
221.08147	2.4
231.05038	22.2
235.06531	2.0
248.07903	2.1
249.06053	4.6
264.11020	2.3
270.08591	4.2
283.09232	3.2
292.10608	3.4
314.07468	7.2
315.08716	6.2
316.08878	17.1
324.12958	3.1
330.10754	2.9
331.11349	17.2
340.12485	2.3
344.11987	3.7
352.12622	3.5
384.15164	15.2
385.14447	1.8
402.17770	10.5
403.13608	2.9
419.15762	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
54.53525	1.1
55.05513	12.8
57.03430	3.2
57.07077	100.0
58.86401	1.2
65.03950	1.4
67.05508	37.7
69.03089	2.4
69.03432	24.2
69.07063	23.0
70.06585	1.3
71.04984	3.9
71.08632	77.6
71.52322	1.5
79.05488	2.7
81.03422	22.1
81.07056	48.8
83.08621	33.7
85.02908	27.4
85.06541	1.9
85.10187	39.5
91.37755	1.2
93.07049	3.1
95.08610	70.2
97.02892	16.1
97.10165	17.1
99.04472	9.3
99.08101	1.4
99.11739	3.0
101.02364	1.8
107.08598	1.4
109.02892	9.5
109.10162	34.6
111.11703	4.4
119.08566	1.9
119.38822	1.2
123.11714	18.4
125.13268	4.7
127.03919	20.8
135.08003	1.1
137.13261	7.0
139.14804	1.8
145.04909	9.1
151.14842	3.2
165.16393	1.4
177.09418	1.2
177.12755	3.0
178.13107	2.4
221.22693	4.8
239.23692	49.4
257.24826	3.8
275.03290	1.2
315.08615	1.3
329.95834	1.3
383.28024	11.2
397.75891	1.2
401.29236	3.8
401.38269	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.7
55.01868	18.0
55.05503	11.2
57.03429	7.2
57.07077	74.3
57.70520	2.2
67.05505	26.8
67.96494	2.4
69.03429	24.8
69.07072	17.9
69.71352	5.4
69.71759	9.0
71.01357	2.3
71.04993	9.8
71.08633	50.0
73.02911	5.2
81.03426	30.8
81.07056	32.0
83.08624	19.8
85.02900	10.0
85.10188	29.7
87.04471	2.8
87.33152	2.4
88.80077	2.5
95.08611	48.3
97.02899	88.8
97.10159	11.6
99.03909	2.6
99.04456	69.6
105.07052	3.7
107.08691	2.9
107.92698	2.5
109.02880	36.6
109.10173	32.2
111.11729	4.8
123.11732	13.8
125.13261	5.6
127.03920	100.0
133.10161	5.5
135.11707	2.3
137.13239	4.6
145.04945	16.4
151.14825	2.7
165.16359	2.5
170.18282	2.5
177.11218	2.4
221.22676	5.2
239.23694	66.8
257.24652	6.3
315.67996	3.1
383.28000	12.1
401.26370	4.6
401.31232	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01871	3.5
55.05510	11.5
57.03435	3.3
57.07079	62.4
57.18940	1.6
58.15915	1.3
66.10792	1.5
67.05511	19.3
69.03434	7.8
69.07078	10.5
69.18174	1.5
69.38899	5.9
69.39318	4.8
70.06555	1.8
71.04998	2.6
71.08638	42.4
73.02929	2.5
75.94985	1.4
79.05489	2.8
81.03425	5.7
81.07061	28.1
83.08626	22.0
85.02901	4.0
85.10194	23.1
88.07661	2.1
95.08611	39.0
97.02898	66.6
97.10170	12.1
98.21534	3.0
99.04447	17.7
99.11761	2.5
107.08630	2.0
109.02866	8.8
109.10172	19.3
111.11729	4.3
123.11685	8.3
125.13305	4.9
127.03933	27.6
137.13258	6.6
139.14818	3.6
145.04994	4.2
147.11485	1.7
151.14850	1.5
165.16359	2.4
172.95250	2.4
221.22652	4.5
239.23706	100.0
328.64990	1.9
335.25613	3.2
339.34564	3.1
377.14990	2.9
383.28076	3.0
395.25821	1.7
401.15564	3.3
401.28937	2.2
401.38110	13.5
402.39279	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78740	3.1
53.03947	5.1
55.05512	16.0
57.03424	5.7
57.07080	100.0
67.05508	39.5
69.03439	27.5
69.07070	29.3
70.06607	5.1
71.08639	77.0
79.05498	6.1
81.03428	26.1
81.07063	56.5
83.08620	32.4
85.02915	26.3
85.10192	45.9
87.04456	3.2
93.07027	4.8
95.08617	74.3
97.02889	17.4
97.06557	3.2
97.10175	20.5
99.04461	11.7
107.08591	3.4
109.02885	17.2
109.10169	38.4
111.04431	4.1
111.11738	6.1
120.49278	3.6
123.04414	8.0
123.11706	21.7
125.13236	4.2
127.03919	33.4
133.10155	4.1
135.11696	3.8
137.13248	9.9
145.04958	12.0
165.16470	5.2
188.90424	3.9
215.60550	3.4
221.22525	4.7
239.23734	68.6
245.49870	3.6
257.24875	4.0
299.23550	3.5
301.79745	3.4
317.39700	3.3
383.27753	17.8
401.28714	5.5
401.38126	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	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03934	2.7
55.01864	6.6
55.05515	3.4
56.96581	1.6
57.03425	4.9
57.07075	2.1
59.04990	5.1
60.05642	4.6
61.02929	2.9
65.03956	1.8
67.05495	7.4
69.03438	18.0
69.07059	3.8
70.06599	39.8
70.17577	6.7
71.01373	1.5
71.05006	18.3
72.08156	15.9
73.02917	3.1
75.04485	3.5
79.05499	20.1
80.64162	1.7
81.03415	4.4
81.07039	5.0
83.04980	6.1
84.04520	3.7
84.08140	6.7
85.02905	11.0
85.06554	23.1
86.09711	30.0
87.04482	17.2
91.05483	20.7
93.07053	20.3
95.01306	1.6
95.04971	7.5
97.02301	2.6
97.02895	34.5
97.06573	1.9
98.21375	2.1
99.04469	3.2
99.08101	6.8
101.06016	2.5
103.05494	2.0
105.07037	25.0
107.04966	11.0
107.08610	29.8
109.02907	1.7
109.06510	3.4
110.07142	1.7
111.03722	2.6
111.04452	34.3
112.08719	7.8
113.02410	2.9
115.03928	3.2
115.08695	1.7
116.07112	5.6
117.07019	9.1
119.08575	16.5
121.06504	12.9
121.10163	14.9
123.04452	3.3
123.08083	3.4
124.94944	1.6
125.02348	8.3
127.03947	2.8
129.05498	14.2
129.06999	8.6
129.10263	4.8
130.07843	2.3
131.08574	48.6
133.10155	2.3
135.04408	3.8
135.08057	3.1
135.11758	3.3
137.05981	2.6
137.09599	8.5
139.07585	1.6
140.08104	1.7
143.03467	1.7
145.02890	2.3
145.06477	3.9
145.10124	22.6
147.06577	9.4
147.08055	10.8
149.05957	3.5
149.09630	78.9
153.05466	2.4
155.08528	3.3
157.10924	1.6
163.04001	2.0
163.07573	4.4
163.11188	22.8
165.09120	16.0
167.07043	10.8
167.10693	51.6
171.14903	2.1
173.09647	18.9
175.06035	47.4
175.11885	1.7
179.10704	2.4
181.05034	9.0
183.14934	3.2
191.10690	100.0
192.10982	2.2
193.07060	5.1
209.11742	61.6
221.11784	1.7
225.17046	4.4
258.14566	1.6
267.11752	1.8
271.17557	2.9
286.14038	1.7
288.20309	3.7
330.10962	4.3
351.12503	1.7
357.15292	1.8
383.17410	19.0
401.13422	2.8
401.18042	6.2
401.28699	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	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.05510	15.1
57.07083	22.1
65.03935	3.7
66.35633	3.1
67.05510	26.9
69.03422	10.5
69.07077	22.0
69.23280	19.7
69.23679	4.8
71.04984	10.6
71.08626	11.4
79.05498	24.1
81.03412	12.7
81.07057	44.7
83.04961	3.2
83.08617	16.0
85.02895	6.2
85.10192	4.1
88.41563	3.0
91.05486	47.2
93.07049	58.0
95.04968	9.8
95.08601	41.9
97.02910	15.5
97.10162	3.6
98.21333	12.5
99.04436	7.7
103.05515	3.3
105.07035	99.7
107.08588	46.9
109.02869	10.2
109.06524	61.2
109.10159	25.2
111.08065	9.0
115.05431	7.6
117.07032	27.3
119.08583	89.0
121.10136	20.7
123.08077	4.4
123.11729	7.0
127.03919	9.5
128.06195	14.1
128.77007	2.7
129.07010	19.0
130.07819	13.2
131.08566	71.1
133.09120	5.3
133.10127	87.5
135.08063	16.4
135.11691	27.8
137.09593	8.6
141.06992	12.4
142.07797	34.3
143.08575	43.8
143.81474	2.7
144.09331	11.2
145.04980	4.4
145.10127	100.0
147.08058	10.8
147.11694	18.2
149.09639	4.6
153.06952	4.0
154.07799	4.3
154.76714	2.8
155.08586	18.0
156.09373	15.3
157.10139	66.0
158.10912	18.7
159.08105	3.0
159.11681	38.0
161.09653	4.5
161.13277	6.8
165.07014	5.3
167.08568	7.5
168.09312	10.2
169.10117	27.0
170.10919	9.4
171.11714	33.8
171.13034	4.9
172.12422	8.2
173.13277	45.2
175.11227	4.3
175.14813	16.2
179.08495	11.2
180.09308	8.5
181.10130	14.1
182.11002	6.8
183.11717	25.7
184.12331	5.2
185.13234	17.3
187.14810	45.1
192.09364	4.6
193.10124	11.1
194.10928	8.2
195.11685	24.9
196.12479	6.3
197.13258	18.1
199.14851	20.6
201.12675	8.5
201.16403	5.0
205.10257	5.2
206.10988	8.2
207.11705	13.1
208.12346	6.3
209.13293	25.1
211.14830	10.8
213.12802	5.2
213.16362	3.8
219.11713	4.5
220.12468	4.1
221.13327	19.6
222.13976	4.0
223.14854	9.5
225.16364	3.0
227.14227	5.5
233.13231	4.5
234.14116	3.8
235.14763	7.6
237.16238	7.6
239.18008	4.3
239.23682	12.9
241.03044	2.8
241.19612	3.3
247.14929	3.2
251.18008	7.9
261.16364	3.8
265.19498	6.9
301.19699	3.0
343.24414	4.2
344.02621	3.1
383.27832	10.0
401.28265	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
53.85165	1.0
55.01878	6.4
55.05508	8.3
56.96554	1.4
57.03421	3.5
57.07067	1.7
58.71379	1.1
59.04992	4.6
60.04514	1.1
61.02922	1.3
65.03950	1.1
67.05502	10.7
69.03434	21.7
69.07050	4.3
70.06589	13.8
70.09135	5.6
70.87482	1.1
71.04995	18.0
72.08154	13.6
73.02904	1.8
73.73184	1.1
75.04453	3.4
79.05496	23.9
81.03401	5.0
81.07048	5.6
83.01318	1.9
83.04982	7.7
83.08619	4.6
84.04510	1.8
84.08150	3.4
85.02909	12.2
85.06089	1.9
85.06551	25.7
86.09237	1.4
86.09717	22.6
87.04479	18.7
89.96961	1.2
91.05492	21.9
93.07046	21.1
95.01322	2.6
95.04967	9.5
95.08624	3.5
97.02290	2.3
97.02892	34.4
97.06522	2.4
98.97554	3.7
99.04451	4.2
99.08122	6.8
101.06001	4.3
103.05491	2.4
105.02733	1.4
105.03410	16.2
105.07034	25.5
106.03727	2.6
107.04952	14.8
107.08606	30.0
109.02879	2.6
109.06512	7.0
109.10157	1.5
111.04446	37.3
112.08698	1.7
112.99180	1.4
113.02361	1.2
113.05987	1.9
115.03926	4.4
116.98627	1.5
117.07050	10.0
119.08586	19.9
120.08112	2.0
121.06521	9.9
121.09361	1.5
121.10155	16.8
123.04421	3.9
123.08080	3.1
125.02363	7.6
127.03888	3.3
128.06201	1.2
129.05493	18.3
129.07005	9.8
130.07738	1.5
130.08636	2.7
131.08577	49.2
133.06497	1.6
133.10124	3.5
135.04407	3.7
135.08025	4.1
135.11687	3.0
137.05949	4.2
137.09598	8.9
143.03380	2.1
145.02858	2.7
145.06490	4.0
145.09061	2.0
145.10130	24.2
146.03172	2.4
147.06572	10.2
147.08029	11.3
147.11774	2.4
149.05974	4.2
149.09630	80.1
153.05525	1.3
155.07065	1.8
158.99634	1.3
161.09529	2.3
163.07526	5.6
163.11200	26.2
165.09116	15.9
167.07028	5.9
167.10683	57.5
173.09644	16.0
175.06036	49.3
177.05479	2.9
178.05766	2.1
179.07092	3.6
179.10637	3.2
181.04939	2.4
185.16429	4.9
189.12337	3.7
191.10681	100.0
193.07068	6.7
194.00250	1.4
195.00520	1.5
197.01172	1.9
197.08043	2.4
205.08734	1.8
206.02139	2.2
209.02667	3.4
209.11734	66.7
210.02960	4.4
213.15971	4.5
214.58583	1.9
215.07530	3.8
215.09381	2.4
219.08134	1.4
221.04445	2.1
223.09949	3.5
227.12648	1.4
232.12961	1.2
252.04045	1.7
267.09198	1.6
285.09848	1.5
291.10052	1.4
297.04218	1.7
298.04544	4.0
312.62003	1.7
315.08618	2.4
324.04291	1.4
330.10974	4.1
351.12189	1.5
365.16006	2.0
365.62433	1.3
383.17221	22.3
401.13776	4.8
401.18274	13.6
401.28708	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
54.11801	2.0
57.33725	1.9
60.06107	1.8
66.51031	1.9
69.42288	9.0
69.42690	4.5
79.05093	2.1
79.05495	12.1
81.07064	4.9
91.05482	6.5
93.07069	2.1
103.05486	2.4
105.07006	2.9
107.04954	23.1
115.05461	5.2
121.06462	2.5
123.04390	2.5
124.05214	7.8
128.06285	2.3
129.07014	7.0
131.08574	11.8
132.05629	2.1
133.06471	2.6
141.06982	4.7
144.05734	8.1
145.06499	3.8
147.04518	2.3
151.03976	2.2
152.04727	3.7
156.05753	12.4
157.06505	3.3
159.08064	12.7
163.03943	3.3
167.07053	90.3
169.07654	2.3
172.05205	2.4
173.05972	6.0
173.13307	1.9
177.05519	2.4
179.07089	2.6
181.04970	4.9
181.08607	3.1
184.05212	4.3
186.06752	5.9
187.07510	9.3
191.07031	7.8
195.06526	4.3
202.06218	5.6
202.07878	2.3
203.06978	3.2
203.08640	2.5
205.06631	2.2
205.08566	9.7
207.06528	3.2
208.05223	19.8
208.08879	2.2
209.05978	2.5
215.06963	2.8
217.08572	37.2
217.10425	3.6
218.07274	5.6
219.08057	13.0
219.10233	5.0
220.08760	3.6
221.05978	5.4
221.09624	1.9
229.08643	4.2
231.08044	7.2
231.10112	3.2
232.08867	2.9
233.06113	2.4
233.09534	4.5
235.07535	4.3
236.04703	8.3
236.08298	4.3
237.08942	3.0
239.07167	3.6
240.04221	2.8
246.06741	3.0
247.07498	13.9
247.09700	19.2
248.08441	9.9
249.05440	4.4
249.09140	3.8
254.05832	8.6
259.07611	4.0
261.09085	3.8
262.09915	5.0
263.07181	2.8
263.10675	7.4
264.07809	6.8
265.08578	5.3
267.06448	5.9
268.03668	2.8
269.08069	26.0
271.09692	6.1
272.06827	3.9
275.06998	7.0
276.07742	5.8
277.08609	6.6
277.28052	2.3
279.06931	1.9
279.10159	8.7
282.05392	4.0
282.08887	7.6
290.09445	4.7
291.10211	16.7
292.07217	4.8
293.08090	8.8
299.09158	4.2
305.12045	2.3
307.09595	9.3
308.10370	5.8
309.07574	2.9
310.08453	6.5
311.12891	3.6
315.08633	87.8
316.09296	2.7
319.09491	9.8
321.07675	4.2
322.11758	3.3
323.09201	3.3
323.12698	16.4
328.09570	4.8
330.10995	100.0
331.11774	9.8
335.09073	2.5
336.09891	3.8
337.10635	6.2
339.12250	9.5
343.11774	19.4
351.12363	30.1
352.12958	3.0
353.10242	5.0
356.12430	3.6
368.12451	7.1
369.13388	5.7
371.14938	7.4
383.14932	71.0
383.19885	3.9
401.16159	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03951	2.2
57.06456	1.5
66.60358	1.5
69.35732	12.9
70.06582	1.6
79.05483	9.1
81.07059	4.7
86.09666	1.6
91.05477	6.8
93.07068	2.8
105.07051	3.1
106.04153	1.7
107.04963	26.8
109.10112	1.6
115.05524	2.3
116.06242	1.8
117.07013	3.2
121.10101	2.9
122.03677	1.8
123.04413	3.2
124.05186	7.1
125.06039	2.2
128.06244	2.0
129.06990	5.6
131.04938	2.6
131.08585	7.3
133.02946	1.8
133.88359	1.7
137.05978	1.8
141.07011	4.0
144.05681	4.3
145.06450	5.6
151.03928	2.0
156.05705	9.7
157.06407	3.0
159.08093	11.2
161.05975	2.7
163.03946	2.5
167.07043	84.4
169.06447	2.0
170.07176	2.3
172.05196	2.5
173.05977	5.0
177.05559	1.7
181.04945	3.7
184.05104	2.1
186.06717	1.9
187.07582	9.9
190.07794	2.2
191.08551	3.4
195.06567	3.6
201.09038	2.7
202.06210	5.1
202.07855	2.4
203.08592	2.4
204.07776	1.7
204.20410	1.7
205.08572	12.1
207.06514	5.9
208.05209	17.6
208.08806	2.6
211.07529	2.3
217.08575	35.2
218.07233	3.8
219.08052	8.5
219.10033	3.4
220.08824	5.2
221.05991	4.4
226.06227	2.4
229.08600	5.0
231.08012	7.5
231.10132	3.1
232.09026	2.1
233.09607	5.0
234.06819	2.4
235.07663	2.2
235.11497	1.8
236.04691	10.0
236.08360	4.0
237.09113	2.1
240.04196	2.4
246.06873	1.8
247.07509	10.2
247.09697	17.2
248.08330	7.8
249.05554	1.9
249.09126	4.5
251.10690	2.1
254.05775	8.7
256.07397	1.8
257.04306	2.4
259.07608	2.9
260.08466	2.9
261.09167	3.0
262.06326	1.8
262.09976	3.8
263.07010	2.9
263.10669	7.8
264.04285	2.2
264.07773	4.6
265.08627	4.1
267.06488	5.3
269.08136	22.2
271.06039	2.5
271.09656	7.2
272.06757	3.7
275.07062	5.5
276.07864	9.3
277.08615	3.8
279.10217	5.7
281.08133	3.2
282.05463	3.8
282.08926	13.5
285.07706	2.9
287.09302	3.4
290.09418	4.4
291.10168	18.0
292.07367	5.1
293.08099	8.6
293.11096	1.8
299.09097	4.3
300.06348	3.3
304.07132	2.0
305.08224	2.1
307.09561	10.7
308.10471	5.7
309.07486	3.2
309.10907	2.2
310.08420	8.7
311.12729	3.1
315.08640	92.5
319.09674	8.8
321.07651	3.9
321.11209	3.9
322.12091	2.1
323.09189	3.4
323.12714	14.0
325.10696	2.6
328.09338	4.9
330.10989	100.0
331.11740	11.4
336.09958	4.8
337.10617	4.9
339.12302	12.6
341.10187	2.4
343.11801	15.3
351.12244	26.1
352.12924	4.6
353.10181	6.1
356.12335	2.8
368.12634	7.3
369.13382	5.9
371.14865	7.1
373.16574	2.3
383.14929	68.9
387.38254	1.7
401.15881	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01881	1.5
70.06567	2.1
71.51976	2.1
79.05479	12.5
81.07058	3.7
81.43205	1.7
87.35892	1.5
91.05480	9.5
93.07022	1.9
95.04967	4.7
95.08574	1.4
102.57683	1.7
103.05444	4.1
105.07029	1.7
106.04160	2.4
107.04957	29.3
107.08629	1.9
109.06528	1.5
115.05395	3.7
116.06239	2.0
117.07016	3.7
119.08620	2.5
121.06496	3.9
121.10116	2.6
123.04426	4.1
124.05196	6.4
125.05971	4.0
128.06177	2.6
129.06998	6.7
131.04893	2.3
131.08556	9.0
136.56247	1.7
137.05977	4.1
141.06982	5.1
143.04942	1.7
144.05688	5.8
145.06487	4.6
146.03764	1.4
147.07942	1.6
149.06013	2.1
151.03905	4.8
152.04671	2.8
153.05473	3.6
156.05682	13.0
157.06480	4.4
158.07237	3.0
159.08067	13.1
161.06010	2.9
163.03931	3.9
165.06894	2.0
167.07048	88.6
169.06444	1.8
169.07687	1.6
171.09363	1.4
172.05251	1.7
173.05974	3.4
173.13217	1.6
174.06711	1.9
175.07578	2.4
177.05484	3.3
179.07112	2.7
181.04933	7.6
181.06456	3.2
181.08597	3.7
182.07231	2.7
184.05191	4.8
186.06779	5.0
187.07533	8.8
189.05457	2.0
189.07036	1.9
190.06213	3.1
190.07771	1.8
191.07036	4.8
193.08633	1.9
195.06470	3.5
197.06026	1.7
198.06825	1.8
202.06224	5.6
203.08510	1.9
204.07802	2.1
205.06696	2.5
205.08533	13.7
206.07329	2.5
207.06531	5.7
208.05219	26.6
208.08847	2.0
209.05852	2.3
209.08018	2.3
210.06779	3.6
211.07622	1.7
214.06178	1.6
215.08658	2.6
217.08609	36.6
218.07262	3.9
219.08034	10.5
219.10219	6.2
220.08789	5.9
221.05994	6.5
222.02832	1.6
226.06020	1.8
227.07028	1.9
229.08560	3.8
231.08034	6.8
231.10150	2.8
232.08931	2.1
233.06006	3.5
233.09555	4.7
234.06714	2.1
235.07474	2.2
236.04767	10.7
236.08351	3.3
237.09064	1.5
239.07094	2.8
240.04065	2.7
241.08502	2.1
245.09673	3.0
246.06711	3.2
247.07487	15.2
247.09709	18.8
248.08334	10.9
249.05438	3.1
249.09081	4.0
250.06268	3.0
251.10611	2.6
254.05795	10.4
255.06422	2.2
258.06702	1.8
259.07458	3.7
260.08295	2.8
261.09189	4.2
262.09821	3.9
263.07037	3.4
263.10623	8.6
264.07779	9.8
265.08582	4.9
267.06412	7.7
268.03690	2.7
269.08099	27.5
271.06290	2.4
271.09647	7.1
272.06808	6.3
275.07056	8.3
276.07742	5.4
277.08615	5.0
278.05707	2.0
279.06805	2.0
279.10159	6.3
281.08063	2.9
282.05261	5.1
282.08823	13.2
287.09183	3.9
289.08755	2.0
290.09406	6.4
291.10132	14.9
292.07263	3.6
292.10638	1.9
293.08054	9.3
294.08807	1.6
296.10352	2.5
299.09045	3.9
300.06183	4.0
301.07150	2.7
304.07224	2.0
305.08102	3.5
305.11401	2.9
307.09598	12.5
308.10443	6.1
309.07562	2.5
310.08218	5.3
311.12778	3.5
313.10843	1.7
315.08636	85.2
318.09085	1.7
319.09570	7.8
320.10187	2.4
321.07495	4.8
321.11069	3.3
322.08362	3.6
323.09210	2.5
323.12643	12.6
328.09378	6.0
330.10968	100.0
331.11722	11.3
335.09137	1.8
336.09879	4.6
337.10602	5.1
338.07709	2.7
339.12244	10.7
343.11761	15.3
350.11545	2.1
351.12286	28.3
352.12894	5.2
353.10278	7.6
356.12384	4.7
368.12772	7.8
369.13260	5.0
371.14902	8.0
373.12671	3.2
373.16769	2.0
383.14902	72.3
401.16315	20.8
401.21927	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05504	1.6
58.30210	1.1
65.03938	2.1
69.03429	2.1
69.67529	3.9
69.67955	3.3
70.06583	5.7
72.08147	4.5
76.62012	1.1
78.04715	1.5
79.05500	9.0
79.19559	1.2
81.07068	1.9
84.08144	3.6
85.02902	3.4
86.09695	4.1
91.05486	5.4
93.07066	1.6
95.04960	2.6
95.08585	2.0
97.02911	2.2
98.21617	1.2
100.78737	1.1
105.07027	2.6
107.04961	20.7
109.06498	1.9
115.05453	2.9
116.07082	1.6
117.03405	2.0
117.06996	3.2
119.04971	1.1
119.08587	2.5
120.67229	1.1
121.06499	2.1
122.03651	1.9
123.04429	3.4
124.05245	2.9
128.06242	2.3
129.07004	4.8
131.04922	1.9
131.08591	5.7
133.10127	2.2
135.08115	1.6
135.11598	1.2
137.05991	2.3
141.06979	2.2
144.05707	4.5
145.02820	2.9
145.06476	5.5
151.03990	1.7
152.04671	1.5
153.05475	4.6
156.05693	7.2
157.06520	2.9
159.08073	8.1
159.11714	1.4
161.06012	2.9
161.09601	1.9
163.03865	2.5
163.07567	1.6
165.05453	1.4
167.07043	77.2
173.05978	5.1
175.07495	1.7
177.05519	8.3
179.07066	3.1
181.05016	8.4
184.05249	2.4
186.06728	2.0
187.07562	5.1
189.05537	1.6
191.07011	3.4
191.08571	1.5
193.08600	2.3
195.06567	3.0
197.08044	1.1
200.08443	1.2
200.29347	1.3
202.06270	2.6
202.07889	2.2
203.08600	3.3
203.10576	2.4
205.06767	1.8
205.08566	10.5
205.10220	2.1
207.06561	4.2
208.05168	17.3
208.08861	2.0
209.06000	1.1
209.07956	1.4
210.06795	2.0
211.07594	2.1
217.08592	22.4
217.10410	2.2
218.07286	4.4
219.08063	10.7
219.10179	3.7
220.08882	5.2
221.05971	4.4
221.08026	3.0
221.11705	2.4
223.07628	1.7
227.06924	1.5
229.08595	4.8
231.08101	5.7
231.10106	1.8
233.06020	1.7
233.09645	3.8
234.06735	1.8
235.07576	2.2
235.11253	1.6
236.04715	7.9
236.08372	3.0
237.09149	1.5
238.06264	2.6
239.07068	2.1
239.12917	2.0
240.04196	2.6
245.09627	2.7
246.06779	2.0
247.07613	9.4
247.09720	13.1
248.08354	10.1
249.05482	1.9
249.09126	2.9
250.06259	1.3
251.10649	2.7
254.05713	10.7
255.06404	1.9
257.04681	1.4
259.07596	2.7
261.09122	3.5
262.09937	2.2
263.07047	2.8
263.10672	7.4
264.04266	2.2
264.07797	5.4
265.08636	4.9
266.05618	1.5
267.06555	7.4
268.03763	3.4
269.08090	24.7
271.06189	1.5
271.09653	5.9
272.06903	4.7
275.07043	5.3
276.07870	6.3
277.08606	3.7
278.06113	1.2
278.09192	1.4
279.06506	1.5
279.10187	5.9
281.07996	2.9
282.05286	4.9
282.08905	11.3
283.06171	1.4
284.06757	1.8
285.07565	1.9
287.09140	3.5
289.08749	2.1
290.09332	4.4
291.06943	2.2
291.10153	11.4
292.07275	4.4
293.08160	6.9
297.07236	1.4
299.09268	3.2
300.06476	1.6
300.10025	1.4
301.07028	3.4
305.08035	2.9
305.11591	1.2
307.09641	10.9
308.10455	4.2
309.11047	1.5
310.08322	6.3
311.12927	1.7
313.10706	2.4
315.08621	79.0
316.09113	2.3
319.09528	6.7
321.07700	2.0
321.11185	2.3
322.11920	1.4
323.09131	2.1
323.12677	12.0
325.10547	2.4
327.12329	1.4
328.09369	3.3
330.10974	100.0
331.11737	8.9
336.09943	3.9
337.10654	6.5
338.07907	1.5
339.12222	8.8
340.13153	1.5
343.11740	17.3
351.12277	21.8
352.13004	3.0
353.10138	7.0
356.12601	3.4
368.12436	8.5
369.13153	4.3
371.14951	4.9
373.16068	1.9
380.39056	1.4
383.14880	58.6
400.28217	1.4
401.16055	21.0
413.05310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01874	2.5
55.05494	1.9
62.86113	1.4
68.99773	1.4
69.03430	5.4
70.06604	16.2
71.04524	2.5
71.04996	1.8
72.08158	22.2
73.02921	1.8
79.05487	10.5
81.03413	1.5
83.04972	1.6
84.04501	3.0
84.08147	5.7
85.02901	6.1
86.09706	33.1
87.04476	1.7
91.05479	8.5
93.07038	1.7
95.04964	2.6
95.08607	2.5
97.02918	7.8
103.05464	2.7
105.01870	3.3
105.07018	4.9
107.04958	27.1
107.08590	4.6
109.06480	1.7
110.07170	4.0
111.04427	8.3
113.02393	1.4
115.05447	2.9
116.06267	2.1
117.03412	1.9
117.07053	3.4
119.04944	4.9
120.08099	2.7
121.06482	3.5
123.04412	15.0
124.05250	3.6
125.02330	2.1
127.03921	5.1
127.08701	1.9
128.06281	2.0
129.05470	3.9
129.06976	4.3
129.10257	3.0
130.06487	2.9
131.08565	5.9
135.04469	2.1
135.08072	4.5
137.05995	6.9
139.07520	3.4
141.07007	2.3
143.11858	2.3
144.05675	7.3
145.04932	1.5
145.06496	4.6
145.10165	1.5
147.04433	2.1
149.05984	2.8
149.09659	2.0
151.04002	1.8
152.04668	4.5
153.05528	3.0
156.05698	9.2
157.06436	4.3
159.02950	2.0
159.08041	9.2
159.09163	2.1
161.06018	1.6
163.03876	3.9
163.07542	6.3
165.05566	1.4
165.07034	2.0
167.07040	83.5
169.07658	1.6
171.11316	1.5
172.05176	1.7
173.06000	4.1
175.05969	7.6
175.10796	3.4
177.05516	4.7
179.07100	2.8
179.08635	1.6
181.04955	4.1
181.08577	2.7
182.07361	2.4
184.05191	3.9
185.16516	3.9
187.07477	7.2
189.12306	3.4
190.06329	3.4
191.07011	3.1
191.10617	1.5
193.08653	1.7
195.06525	4.1
199.18146	3.5
201.09061	2.0
202.06212	3.6
203.08546	2.2
205.06705	2.7
205.08582	10.8
207.06532	4.6
208.05211	22.0
208.08891	2.0
209.08029	3.0
210.06700	1.9
211.07535	2.0
213.16022	3.5
215.06956	1.9
217.08594	27.7
218.07251	3.7
219.08054	9.6
219.10143	3.2
220.08856	4.9
221.06006	4.7
222.03059	2.5
223.65807	1.6
224.04887	1.8
225.05623	2.3
226.06288	1.6
227.09050	3.5
227.17543	4.8
229.08586	4.4
231.05009	1.5
231.08064	6.2
231.16965	2.3
233.05986	3.1
233.09627	2.7
235.07518	3.1
236.04723	8.3
236.08299	3.2
237.09068	2.5
238.06271	1.8
241.08539	1.9
241.13467	2.2
245.09679	2.4
246.06767	2.6
247.07498	12.2
247.09709	16.5
248.08215	8.6
249.05510	3.6
254.05734	11.1
257.04379	2.2
258.16028	3.5
259.07663	3.7
261.05603	1.8
261.09076	4.8
262.06363	1.5
262.09842	3.1
263.07083	2.8
263.10645	9.6
264.07831	4.8
265.08624	6.2
267.06424	5.5
268.03696	3.1
269.08139	21.2
271.06110	1.9
271.09650	3.7
272.06708	4.8
275.07062	5.4
276.07864	5.8
277.08658	4.0
279.10159	4.9
281.08124	2.0
282.05310	4.6
282.08859	11.9
284.06760	1.9
285.07568	3.0
286.15720	2.2
287.09192	3.1
289.08734	2.6
290.09369	4.3
291.10083	11.7
292.07309	3.9
293.08105	8.8
293.11026	1.3
295.09784	2.2
296.10706	1.9
298.51404	1.6
299.09088	3.4
300.40204	1.6
301.07144	2.6
305.08243	2.1
305.11560	1.8
307.06415	2.1
307.09579	8.7
308.10376	6.3
309.07773	1.8
309.11166	1.9
310.08395	5.6
311.12622	2.3
313.06992	8.9
315.08621	91.7
316.09311	1.9
319.09717	7.4
321.07434	4.1
321.10980	2.3
322.08530	2.1
323.12714	14.8
324.10382	1.7
328.09415	5.1
330.10974	100.0
331.11713	9.8
335.09119	2.9
336.09793	4.0
337.10724	4.6
339.08563	2.5
339.12271	10.2
340.91815	1.5
343.11697	16.6
350.11749	1.8
351.12268	24.6
352.13232	3.6
353.10208	5.8
356.12558	3.3
368.12469	9.9
369.13297	4.5
371.14893	4.5
383.14890	64.2
384.14471	2.2
401.16333	28.1
401.28558	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84750	1.4
64.44630	1.5
65.03932	1.9
67.05486	2.0
69.03398	1.4
69.07037	1.5
69.86957	1.5
70.06586	2.2
72.08128	2.2
78.04723	2.6
79.05489	12.2
79.94914	1.6
81.07051	4.2
85.02889	1.5
86.09701	1.6
91.05507	7.1
93.07034	3.5
95.04959	4.0
95.08607	3.0
98.97571	2.3
103.05472	3.2
105.07022	3.6
107.04958	26.2
107.08605	2.4
109.10133	2.6
115.05420	3.4
117.07013	3.2
118.04214	1.5
121.10158	1.7
122.03680	2.0
123.04443	3.6
124.05213	5.5
128.06232	2.5
129.07004	5.1
131.04955	1.9
131.08601	8.4
133.06506	1.9
133.95169	1.5
135.11717	2.1
137.05981	2.9
141.07013	3.6
144.05710	5.4
145.06493	6.2
151.03912	3.3
152.04712	2.8
153.05472	3.6
156.05722	13.4
157.06459	2.7
158.07271	2.6
159.08067	14.5
159.11588	1.6
161.06029	4.2
163.03906	2.8
165.07080	1.5
167.07039	87.8
173.05971	5.1
173.13399	2.4
174.65628	1.5
175.07515	1.5
177.05498	2.5
177.09119	1.8
179.07097	2.0
179.08559	1.8
181.04971	5.7
181.06392	1.5
184.05161	3.2
186.06779	1.9
187.07518	8.0
189.05496	1.8
190.06293	2.9
191.07016	3.6
191.08611	1.9
195.06575	3.1
202.06250	5.0
202.07887	1.9
203.08574	1.7
204.07816	2.0
205.06741	2.3
205.08556	15.0
207.06483	3.9
207.08232	2.2
208.05196	16.5
208.08788	2.1
209.07983	1.7
211.07544	2.8
215.07077	2.0
217.06567	2.6
217.08604	38.7
218.07281	3.2
219.01767	3.6
219.08043	9.4
219.10159	6.5
220.08887	4.0
221.06044	3.9
222.07004	1.7
225.05458	2.5
227.06946	2.9
229.08556	4.7
229.98367	1.8
230.07281	2.3
231.08049	6.0
231.10091	2.5
233.09602	4.7
234.06747	2.3
235.07536	3.4
235.11356	1.8
236.04663	9.1
236.08310	2.8
237.02887	2.5
237.08961	1.6
239.07140	4.1
245.09665	3.1
246.06570	2.0
247.07500	11.0
247.09718	19.3
248.08334	12.0
249.05647	1.9
249.09131	2.8
250.06259	2.6
251.06761	1.6
251.10698	2.3
254.05679	7.6
255.06543	1.8
257.04346	2.2
258.06750	1.5
259.07602	4.5
260.08298	3.3
261.09100	5.0
262.09882	3.9
263.07092	4.0
263.10666	10.3
264.07819	7.8
265.08591	5.2
266.05725	1.9
267.06601	6.7
268.03687	2.8
269.08054	25.4
271.09705	6.7
272.06836	5.1
275.07062	5.5
276.07739	5.2
277.08600	5.6
278.09601	1.4
279.07300	1.8
279.10159	8.4
281.08118	2.4
281.11749	2.0
282.05594	3.3
282.08847	14.0
287.09262	2.2
290.06027	1.7
290.09412	5.2
291.10098	13.1
292.07349	4.9
292.10654	2.4
293.08087	8.8
296.10388	3.1
299.09122	4.9
300.06387	2.5
301.06937	2.6
304.07187	3.1
305.08224	2.6
307.09592	12.4
308.10306	6.5
310.08276	5.5
311.12753	2.5
315.08624	96.0
319.09744	7.1
321.07632	3.8
321.11157	2.6
323.09247	2.6
323.12772	12.8
324.09915	2.3
325.10504	2.3
328.09488	4.3
330.10980	100.0
331.11655	9.9
336.09952	4.6
337.10699	7.9
339.12347	10.2
340.12817	1.9
343.11765	19.7
351.12283	26.3
352.13083	4.9
353.10315	6.7
355.11984	2.0
356.12430	4.9
365.19485	1.6
368.12662	7.8
369.13361	5.4
371.14960	5.6
373.12564	1.6
381.07306	2.3
383.14923	71.6
401.12332	2.1
401.16150	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.4
55.05508	7.0
56.05031	6.0
56.96571	4.0
57.03444	2.8
60.04509	4.5
60.79966	2.0
65.03923	3.1
67.05504	6.1
69.03423	8.9
69.07067	6.9
70.06595	79.7
71.05015	3.9
71.51878	3.5
72.08153	44.7
74.06081	7.3
76.93923	2.3
78.04719	2.1
78.50599	2.6
79.05492	20.3
81.03416	5.6
81.07041	6.6
83.04967	3.9
84.04507	17.6
84.08143	27.3
85.02890	10.2
85.06518	2.8
86.09711	57.4
86.10236	2.8
88.03981	3.8
91.05489	13.7
93.07034	6.7
95.04948	4.8
95.06115	2.6
95.08581	3.0
97.02889	9.4
98.97598	5.7
101.07111	3.0
102.05515	6.0
103.05505	4.2
105.07042	5.0
107.04300	3.6
107.04963	39.0
107.08578	4.3
109.06513	2.8
109.10104	2.8
110.07153	15.6
111.04441	3.7
112.08765	5.3
115.05447	6.7
115.08705	4.1
116.07089	5.1
117.06985	2.8
119.04941	4.6
119.08572	4.2
120.08100	9.2
121.06507	4.3
121.10126	4.3
123.04433	14.0
123.08103	4.1
124.05213	7.1
125.06026	4.8
127.03957	4.2
128.06252	3.7
129.06990	8.3
129.10249	12.9
130.04979	5.2
130.06505	7.0
130.08647	10.9
131.04927	5.1
131.08557	10.9
132.05757	3.1
132.08041	3.5
133.02853	4.0
133.06416	3.5
135.04373	4.4
136.07585	5.5
137.05998	8.9
141.07013	5.9
143.04883	2.6
143.11763	3.1
144.05701	7.1
145.02867	7.1
145.06479	8.1
145.10156	2.7
147.04401	4.6
147.07993	3.5
149.05978	4.6
149.09607	11.3
151.03906	6.1
151.07504	3.7
152.04762	3.2
153.05443	3.3
154.08647	17.8
156.05673	17.0
158.07291	3.2
159.08052	17.6
159.09203	4.8
161.05994	7.7
161.09641	3.1
163.03912	6.7
163.11157	3.0
165.09128	2.7
167.07036	100.0
169.06496	4.1
169.13319	5.9
172.05246	2.9
173.05910	5.9
177.05470	11.8
179.06979	4.6
179.08572	2.5
181.04968	21.1
181.08583	6.2
183.08046	3.0
184.05193	4.7
185.16525	8.6
186.06769	3.0
187.07532	15.3
188.07112	2.7
191.06987	4.9
191.08568	4.4
191.10612	3.5
193.06792	3.4
193.08597	2.9
195.06451	3.5
201.09198	3.0
202.06131	5.2
205.06668	4.2
205.08447	15.2
207.06485	5.7
208.05234	21.9
209.02583	5.4
209.05977	2.4
209.08038	4.1
210.03099	5.5
210.06792	4.1
213.15987	6.3
217.08597	48.1
218.07298	6.6
219.08044	15.2
219.10182	9.2
220.08824	6.7
224.08228	2.9
229.08649	4.3
230.07162	4.0
231.08113	6.6
232.08794	3.7
233.09592	4.3
236.04686	6.9
236.08376	5.0
238.06372	3.1
239.07059	3.4
245.09471	3.7
246.06952	2.6
247.07474	13.3
247.09717	27.0
248.08385	12.9
249.05408	5.7
251.06860	3.5
251.10782	3.9
254.05746	11.1
259.07574	5.7
261.09149	3.5
262.09891	6.6
263.06946	4.2
263.10696	9.6
264.07770	10.2
265.08557	6.2
267.06470	4.6
269.08032	26.8
271.09647	7.1
275.07007	7.3
276.07831	9.6
277.08566	7.5
279.10172	8.9
282.05380	5.6
282.08813	11.2
285.07767	3.4
290.09262	7.3
291.10190	13.4
292.07214	5.4
293.08154	10.6
298.04721	5.8
299.09247	5.0
301.06985	4.3
305.08206	5.0
305.11536	3.4
307.09421	12.4
308.10327	5.8
310.08398	7.6
311.08990	2.7
311.12851	3.6
313.07065	8.7
315.08621	83.9
319.09674	10.2
321.07834	4.5
321.11166	4.5
323.12790	15.4
325.10770	3.2
330.10956	98.5
331.11807	14.0
336.10040	6.9
337.10748	7.7
338.11435	3.3
339.12332	14.3
343.11725	17.2
350.11356	4.9
351.12234	29.2
352.12839	5.5
353.10052	8.4
357.18890	16.1
368.12476	8.9
369.13260	7.4
371.14911	8.9
373.15909	4.6
383.14890	81.4
384.15152	4.5
401.17563	43.0
401.28583	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	401.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01630	0.6
55.01875	7.3
55.05504	1.5
56.05027	1.7
56.96560	0.5
57.03428	0.5
58.06597	0.6
59.02301	0.5
60.04516	1.4
60.05657	3.6
61.02914	0.6
65.03947	3.8
66.87759	0.4
67.05506	2.7
68.99792	0.5
69.03441	3.1
69.07070	1.8
69.48658	2.6
70.06599	46.9
71.01356	0.7
71.05003	2.5
71.06905	0.5
72.08163	10.2
74.06059	1.3
79.05495	2.6
81.03413	1.9
82.04191	1.9
83.01334	0.5
83.04962	1.5
83.06146	0.5
84.04522	3.1
84.08148	8.4
85.02911	6.0
85.06506	1.0
86.09713	26.8
87.04461	1.0
87.05548	0.6
88.03984	1.5
88.07626	1.1
89.03922	0.9
91.05486	2.3
92.86974	0.4
93.03409	1.3
93.07018	1.6
95.01335	4.1
95.04976	3.1
95.06045	0.7
97.02911	2.9
97.06508	1.4
97.07632	0.5
98.06030	1.2
98.97565	0.7
99.04462	1.1
100.17739	0.5
101.07132	0.6
102.05550	0.9
103.05463	1.5
105.04474	0.5
105.07037	1.1
107.04967	4.1
107.08592	1.2
108.02128	1.0
109.02895	0.5
109.06515	0.7
110.03661	2.3
110.07157	3.0
111.04435	3.0
112.08739	7.1
112.11255	2.8
113.02361	0.8
113.07146	0.8
114.09135	0.7
115.03914	0.8
115.08676	2.0
116.07106	7.8
117.03387	0.8
117.07043	0.5
119.04937	0.7
119.08604	0.7
120.08093	1.4
121.02879	1.0
121.06489	2.1
121.10202	0.6
122.03653	0.6
123.00805	2.3
123.04455	2.9
124.05267	0.5
125.02344	0.8
125.06010	1.5
127.03933	1.2
129.05527	0.6
129.10260	3.8
129.13850	1.5
130.05005	0.5
130.08640	1.2
131.04961	2.4
131.08548	1.6
132.05292	0.7
133.06491	0.8
135.04399	1.4
136.07562	0.9
137.02350	0.6
137.06012	2.8
138.03067	1.1
138.12799	0.6
139.03894	4.0
140.04672	2.5
140.08185	1.4
141.01813	1.8
141.10292	0.6
142.02628	2.0
145.02827	2.0
145.04913	0.7
145.10091	1.2
146.03255	0.7
147.04430	0.9
147.08017	0.9
149.05997	2.6
149.09624	3.9
150.19135	0.6
151.03889	1.2
153.05467	2.3
153.06587	0.5
155.07057	3.0
155.08163	0.9
157.05026	0.5
157.10881	2.6
159.02995	0.6
159.07741	0.5
159.11288	1.6
161.06021	0.8
162.05510	1.0
163.03900	1.8
163.07541	0.8
163.11172	1.3
164.04282	0.5
167.03398	1.4
167.07043	4.6
167.10626	1.3
167.63077	0.5
171.06577	2.3
173.05635	0.5
173.09499	0.8
173.12814	0.9
175.06041	1.6
175.11934	1.8
177.05476	7.1
178.05821	2.1
181.04968	100.0
182.05298	0.7
182.16504	0.7
183.02866	0.8
183.14932	3.7
187.10779	0.6
191.07137	0.6
191.10632	4.1
193.05066	0.8
195.99887	0.6
199.06030	0.5
199.10805	0.5
200.14008	0.6
204.10202	0.6
207.06567	3.9
208.07266	0.7
209.02658	0.6
209.08104	7.9
209.11755	1.5
210.16031	0.5
211.02335	1.9
211.14488	0.5
215.13849	0.6
221.08037	1.1
223.06033	0.5
225.17134	5.6
229.15562	2.5
235.05850	0.9
239.05521	2.9
242.19701	1.1
247.04544	0.6
249.07640	0.5
253.07008	2.8
253.16580	0.8
256.07419	0.7
259.05975	0.5
261.07822	1.0
265.07123	1.2
268.16617	1.2
270.19342	1.4
271.17618	2.1
275.05222	1.0
277.07129	0.9
286.14069	0.8
286.17557	0.7
287.05652	0.6
288.20392	4.4
291.05084	0.5
291.08429	0.8
295.08105	1.9
303.08719	2.1
305.06631	3.7
307.07953	0.6
315.08569	0.6
321.09726	0.5
323.07880	0.7
325.09244	1.6
327.15024	0.9
330.10968	0.9
335.07648	0.7
339.10968	1.4
341.08868	0.9
353.08701	0.6
359.65643	0.5
365.08856	1.3
383.09796	3.5
383.16116	1.6
384.26062	1.4
401.13388	2.7
401.18698	4.9
401.24078	1.9
401.28738	37.5
418.77609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.05512	11.5
61.02925	5.6
65.03963	3.7
65.77645	1.9
67.05505	38.9
69.03427	9.4
69.07067	14.0
69.61228	2.6
69.61534	12.6
69.82908	2.3
70.06594	4.2
79.05499	27.4
81.03433	3.0
81.07059	81.2
83.08611	2.2
85.02912	25.9
86.09673	2.4
91.05483	28.8
93.07044	57.6
95.04959	3.0
95.08606	78.9
97.02902	7.8
97.10197	2.2
105.07034	100.0
107.04951	3.2
107.08595	72.9
109.02841	2.7
109.10163	66.1
117.03348	2.5
117.07018	2.4
119.08589	54.1
121.10159	23.2
123.11748	12.1
127.03941	6.2
130.05046	2.8
130.31850	2.1
131.08531	2.4
133.10141	32.5
135.11717	14.2
140.05170	2.0
145.02859	3.8
145.04971	7.1
145.10104	4.6
147.11691	68.8
159.11781	3.3
161.13223	19.0
163.14900	3.9
167.07039	6.8
175.14865	9.5
177.05504	7.5
203.17969	42.9
208.05243	2.0
217.08588	2.8
264.63324	2.0
265.08524	2.3
315.08682	6.4
330.10956	7.0
383.14880	4.2
400.17917	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20586	1.9
55.01862	4.9
55.05502	5.6
56.05006	2.4
56.96545	2.2
57.03437	22.3
59.04997	4.4
60.04540	3.3
61.02912	6.5
67.05492	2.1
69.03431	74.4
69.07056	9.5
70.06596	27.9
71.06924	2.6
71.51637	3.0
72.08154	17.2
73.02910	4.6
75.04464	2.3
79.05507	2.7
81.03405	8.5
83.69252	2.2
84.03178	2.0
84.04500	5.8
84.08154	12.6
85.02909	98.1
86.09716	23.2
87.04473	55.2
87.10027	2.6
91.03941	6.2
91.05466	6.2
97.02895	77.1
98.97569	6.7
99.04449	3.5
100.11280	2.8
102.05544	2.1
105.03403	2.3
105.07027	4.0
109.02884	7.0
110.07153	5.0
111.04462	4.8
115.03938	89.3
116.07104	2.8
117.03346	3.5
119.04861	4.6
120.08137	14.2
121.06551	2.2
127.03931	24.7
129.10231	6.8
131.08553	9.0
132.07997	2.2
133.04977	100.0
133.05965	4.2
136.07607	10.5
137.05954	7.2
145.02850	9.6
145.04962	50.0
146.03175	4.5
149.09569	3.5
150.07629	9.5
152.07054	2.6
153.05487	2.9
154.08632	2.7
163.06021	22.4
167.07005	5.6
169.04994	2.5
175.03925	4.4
175.06032	2.9
177.05553	12.4
178.05817	4.8
182.15414	3.9
183.15663	5.1
207.11314	3.7
209.02615	2.3
209.11702	6.7
210.14990	3.9
211.15234	5.9
237.11725	2.2
241.06972	3.7
249.09773	4.9
251.14929	7.4
259.07928	5.6
265.07111	5.7
267.10590	4.7
277.09219	5.7
291.10797	5.4
295.10196	5.9
297.04294	2.6
309.11697	4.7
338.21146	3.2
351.12567	2.9
355.24106	3.0
383.14954	6.6
383.23663	2.4
400.19742	10.2
411.15189	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
55.05495	2.5
56.05025	2.0
57.03439	17.6
59.05001	4.9
60.04514	3.7
61.02908	3.9
69.03429	66.4
69.07066	4.8
70.06595	23.9
71.04992	3.0
71.06915	2.5
72.08162	13.7
73.02931	3.3
81.03397	5.6
84.04498	3.8
84.08136	9.0
85.02906	96.0
86.06012	1.9
86.09705	21.3
87.04471	49.7
91.03953	3.3
91.05460	6.3
97.02895	69.5
97.21698	2.0
98.21490	5.6
98.97571	2.9
99.04462	2.4
100.11245	5.8
102.05518	2.8
105.07003	2.8
107.08572	3.9
109.02844	5.7
110.07149	5.6
111.04434	2.4
115.03934	82.1
116.07108	3.5
119.04937	3.5
119.08575	2.3
120.08130	8.7
121.06471	2.0
123.04459	2.6
127.03929	18.4
129.10280	3.4
131.08571	7.4
133.04971	100.0
133.10081	1.9
135.41234	1.7
136.07607	10.5
137.05960	7.6
143.01952	2.0
143.11784	2.2
145.02835	5.2
145.04967	40.3
145.10167	2.5
146.03116	3.2
147.04436	3.1
149.09660	3.9
150.07629	11.7
152.07097	3.7
153.05414	2.8
154.08627	1.8
156.10304	1.9
161.05931	2.9
163.03909	2.5
163.06030	21.7
166.08557	2.6
167.07037	3.8
169.13367	2.6
175.03883	3.6
177.05455	7.6
178.05817	2.9
182.15414	2.9
183.15723	2.8
189.09087	2.0
191.10670	2.3
201.12221	2.0
207.11302	4.2
209.11655	9.4
210.14914	3.0
211.15189	6.0
219.06429	2.9
231.08563	2.4
234.86365	2.0
241.07045	2.8
249.09695	5.0
251.14915	5.2
259.08121	5.8
265.07147	3.7
267.10818	4.3
291.10690	5.6
295.10190	5.0
297.04404	2.1
309.11829	8.2
310.11618	2.1
312.08554	2.0
338.21616	3.4
351.12637	3.9
355.24454	4.2
367.84857	1.8
383.14911	5.1
400.14618	2.2
400.19745	9.1
400.25818	3.6
411.14917	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88627	1.2
53.03948	1.1
53.30125	1.1
55.01874	43.8
55.05506	2.0
56.05035	2.4
57.07078	40.2
58.99578	2.3
59.56948	1.1
60.04529	2.4
62.99080	1.3
65.03938	1.4
67.05487	2.7
69.03419	4.1
69.07066	3.1
70.06599	22.6
71.06924	1.1
71.51534	1.2
71.51946	2.1
72.08161	10.3
74.00291	1.8
74.00670	19.7
74.06067	1.2
74.24009	1.1
77.59756	1.1
79.05487	2.4
81.03419	1.4
83.04977	1.1
83.61251	1.3
84.04514	5.3
84.08146	19.2
85.02908	2.4
85.06551	30.1
86.09709	16.7
87.10036	3.1
88.03982	8.7
91.05469	8.4
92.01722	10.1
93.07037	1.7
94.06563	4.2
95.04950	1.8
96.04473	1.6
96.08149	1.2
97.02902	3.0
98.09711	2.6
98.97605	1.3
99.04437	1.5
102.05536	2.7
102.98501	3.6
103.05424	1.6
105.00099	2.3
105.07032	3.1
107.04932	3.2
107.08627	1.7
108.08123	1.7
109.02838	1.3
110.03666	2.0
110.07160	5.5
110.09676	2.2
111.04426	2.6
112.07635	1.2
113.07034	1.1
116.07092	2.0
119.04948	53.5
120.01173	65.8
120.05260	1.6
120.08108	15.0
120.99576	16.6
121.06513	1.1
122.02750	3.5
122.06043	8.4
122.42953	1.0
123.04478	2.6
123.75323	1.1
125.05980	4.4
126.09161	17.8
129.05516	1.4
129.10275	8.5
131.04921	1.3
133.06439	1.0
135.04445	1.2
136.07573	2.6
137.05991	2.6
138.02205	33.9
138.09213	1.1
140.07053	3.9
147.04414	60.7
149.05980	1.1
151.03911	3.2
153.05487	16.9
154.08626	2.5
155.01625	9.3
156.07698	1.2
158.06372	2.6
161.06047	1.5
163.03906	2.8
166.08649	4.7
167.07022	3.9
169.03207	6.0
169.86787	1.1
171.11243	1.3
172.09703	29.5
175.03911	2.3
176.04202	1.7
177.05482	4.1
179.07039	100.0
180.07393	1.5
181.04994	2.6
204.06909	73.1
207.06528	3.4
207.11349	2.1
208.06906	3.5
211.04221	23.0
217.08577	1.6
222.07970	28.8
229.05334	4.9
293.12006	1.3
305.10437	1.9
314.12653	1.3
315.08560	2.8
330.10883	2.9
347.15521	1.5
368.38559	1.2
372.13284	1.5
383.14801	2.3
400.09445	1.3
400.14224	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	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14643	2.3
55.05510	22.2
57.07076	4.8
58.41243	2.2
59.21959	2.3
67.05507	21.9
69.03433	4.1
69.07076	28.2
71.04992	3.2
71.08630	7.1
71.16473	2.6
77.36527	2.4
79.05504	14.5
81.07060	49.5
83.04991	3.3
83.08617	11.0
85.06543	3.9
91.05477	14.6
93.07055	41.6
95.08613	100.0
97.02907	3.2
97.10164	7.0
99.04459	4.4
101.06026	8.3
105.07037	44.5
107.08600	60.9
109.10174	46.0
119.08587	32.1
121.10155	59.2
123.11702	16.3
125.09672	2.8
131.08543	4.9
133.10156	32.3
135.08026	3.4
135.11700	56.2
137.13297	4.0
139.07484	4.3
144.19763	2.3
145.10135	8.7
147.11678	30.4
149.09584	3.7
149.13263	31.4
153.09132	3.4
159.11667	14.2
161.13268	15.1
163.11227	3.9
163.13625	2.2
163.14819	12.6
163.66467	2.3
163.96863	2.5
165.12782	4.1
173.13266	6.6
175.14824	9.6
177.12762	9.0
177.16397	6.5
181.12259	5.9
189.12787	2.7
189.16344	12.0
190.03227	2.7
191.14288	7.5
191.17964	92.4
195.13826	22.2
201.16331	2.7
203.17976	19.1
205.19536	6.6
207.13811	10.9
209.15393	23.4
217.19525	21.5
219.73659	2.5
220.23886	2.5
221.15378	4.0
235.16902	3.4
289.21655	3.1
301.85739	2.3
308.65356	2.6
381.31390	7.6
399.27792	3.7
399.32632	58.1
421.44867	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.8
57.07081	8.4
67.05503	3.3
69.07059	3.6
71.08634	7.0
71.52673	1.0
71.53075	0.7
75.11934	0.6
81.07063	5.1
83.04981	0.7
83.08638	1.4
85.10182	3.3
86.09714	100.0
91.05447	0.8
95.08611	6.5
97.10162	1.8
107.08603	1.2
109.10186	3.3
111.04503	0.7
111.11714	0.8
123.11765	1.3
132.10217	65.2
135.11786	0.8
137.13251	0.9
143.11813	12.3
171.11336	1.4
177.37625	0.6
189.12367	7.5
207.86490	0.7
211.20589	8.9
240.23286	7.3
268.22726	17.0
271.05518	0.7
278.00836	0.7
353.90292	0.7
399.32739	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43607	1.0
53.03935	3.1
54.33453	1.1
55.05517	10.4
55.39585	0.9
57.03432	0.9
57.07066	2.6
57.24615	0.9
59.04981	1.7
65.03933	1.9
67.05511	15.5
69.07079	11.6
69.51919	2.1
69.52328	5.9
71.05000	8.9
72.60588	1.2
79.05499	11.3
80.66537	1.1
81.07062	37.2
83.04972	2.4
83.08589	5.0
85.06554	6.4
87.04480	1.4
91.04986	1.3
91.05486	15.4
93.07052	30.8
95.04922	2.9
95.08614	34.0
97.06503	2.9
97.10159	2.1
99.08033	3.0
105.06327	1.3
105.07033	22.8
107.08601	29.1
109.06470	3.9
109.10167	21.2
111.08047	4.8
113.09601	4.6
117.06985	2.1
119.07822	1.7
119.08582	20.8
121.06461	5.2
121.09352	1.5
121.10146	20.1
123.08007	3.2
123.11723	11.1
125.09571	3.2
127.11163	1.8
131.08574	8.3
133.10149	13.4
135.11705	14.4
137.09624	11.5
137.13200	2.7
138.09096	2.3
139.11116	2.5
142.07736	1.5
143.08505	3.2
144.09311	1.1
145.10127	12.6
147.11702	14.1
149.09555	3.5
149.13269	11.4
151.11182	12.3
153.12781	1.5
157.10069	3.8
158.10896	1.5
159.11705	13.8
161.13272	12.7
163.11092	3.3
163.14771	3.7
165.12694	4.8
169.10114	1.3
171.11581	4.0
173.13301	7.9
175.04581	1.8
175.14809	6.6
177.12727	1.7
177.16391	2.4
179.14258	1.2
185.13216	3.4
187.14828	8.0
189.16394	5.1
191.14200	1.3
193.15854	1.5
197.13379	1.5
199.14835	5.1
201.16309	4.3
203.17937	2.5
211.14684	1.9
213.16277	2.5
215.17880	5.0
217.19510	1.9
219.17365	1.4
227.17859	3.3
229.19379	3.4
241.19521	1.8
245.18909	1.9
255.20950	4.5
257.22748	1.4
273.22070	2.1
283.38959	1.3
285.22125	1.3
295.24216	1.6
313.25256	1.9
317.20694	2.0
327.26685	3.1
338.30759	1.1
363.30276	3.1
381.27438	1.4
381.31479	13.1
399.18066	2.5
399.30988	100.0
400.31750	2.8
408.02359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01873	5.0
55.05513	12.8
56.05034	4.6
57.07073	3.1
59.05009	2.9
60.04510	2.9
61.02921	2.7
67.05517	25.7
69.03435	14.6
69.07066	12.9
69.26485	14.7
69.26898	6.5
70.06214	3.3
70.06596	50.3
71.05008	6.0
71.08638	2.6
72.08159	12.6
78.04738	2.6
79.05077	3.3
79.05500	32.1
81.03439	5.4
81.07066	100.0
83.04992	5.0
83.08650	4.7
84.04505	6.0
84.08149	33.4
85.02916	15.8
85.06578	3.9
85.10149	3.2
86.03221	2.5
86.09707	23.2
87.00828	3.4
91.05485	32.7
93.07059	51.6
95.04976	7.2
95.08620	30.2
97.02919	9.0
97.06555	6.2
98.97587	2.5
99.04468	4.9
103.05497	2.7
105.01884	4.2
105.04581	2.9
105.07045	46.0
107.04949	10.9
107.08607	41.5
109.02907	4.1
109.06525	10.8
109.10152	23.3
110.07154	5.0
111.04472	5.4
111.08099	8.0
112.74705	2.5
114.14040	2.2
116.07088	3.8
117.07027	6.0
119.04965	12.3
119.08608	31.9
120.08109	7.7
121.06457	3.4
121.10150	27.2
123.08092	11.4
123.11708	8.6
124.72980	2.3
125.06019	2.8
127.03953	8.4
127.08691	3.1
129.05499	3.6
129.07047	3.0
129.10265	16.1
129.36974	2.5
131.04916	2.9
131.08562	13.6
133.06429	2.9
133.10136	26.1
135.04376	3.0
135.08081	5.6
135.11696	8.6
136.06213	3.5
137.05986	8.9
137.09634	6.5
140.55586	2.2
143.08559	5.1
143.11848	2.4
145.02896	4.0
145.04887	3.0
145.10133	31.2
147.04457	9.1
147.06465	3.1
147.11650	11.9
149.09631	6.7
149.13286	4.9
151.07552	5.8
151.11186	10.6
159.11700	22.6
161.09648	2.6
161.13277	12.7
163.03947	2.8
163.07591	2.8
163.11186	19.4
165.12842	2.8
167.07069	14.3
171.11572	2.9
172.12605	2.3
173.13268	7.1
175.03926	10.4
175.14838	3.7
177.05493	6.9
177.12744	3.0
181.05008	7.1
195.06424	2.8
201.16403	29.9
202.08319	2.6
207.06572	19.1
219.08063	2.4
219.17445	23.8
229.15546	4.8
243.17038	2.6
245.08119	4.1
250.09322	3.1
265.08679	2.7
273.37592	2.5
318.37643	2.8
363.20041	2.5
367.11935	4.0
399.03680	3.3
399.14594	18.5
399.19858	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	399.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01873	5.0
55.05513	12.8
56.05034	4.6
57.07073	3.1
59.05009	2.9
60.04510	2.9
61.02921	2.7
67.05517	25.7
69.03435	14.6
69.07066	12.9
69.26485	14.7
69.26898	6.5
70.06214	3.3
70.06596	50.3
71.05008	6.0
71.08638	2.6
72.08159	12.6
78.04738	2.6
79.05077	3.3
79.05500	32.1
81.03439	5.4
81.07066	100.0
83.04992	5.0
83.08650	4.7
84.04505	6.0
84.08149	33.4
85.02916	15.8
85.06578	3.9
85.10149	3.2
86.03221	2.5
86.09707	23.2
87.00828	3.4
91.05485	32.7
93.07059	51.6
95.04976	7.2
95.08620	30.2
97.02919	9.0
97.06555	6.2
98.97587	2.5
99.04468	4.9
103.05497	2.7
105.01884	4.2
105.04581	2.9
105.07045	46.0
107.04949	10.9
107.08607	41.5
109.02907	4.1
109.06525	10.8
109.10152	23.3
110.07154	5.0
111.04472	5.4
111.08099	8.0
112.74705	2.5
114.14040	2.2
116.07088	3.8
117.07027	6.0
119.04965	12.3
119.08608	31.9
120.08109	7.7
121.06457	3.4
121.10150	27.2
123.08092	11.4
123.11708	8.6
124.72980	2.3
125.06019	2.8
127.03953	8.4
127.08691	3.1
129.05499	3.6
129.07047	3.0
129.10265	16.1
129.36974	2.5
131.04916	2.9
131.08562	13.6
133.06429	2.9
133.10136	26.1
135.04376	3.0
135.08081	5.6
135.11696	8.6
136.06213	3.5
137.05986	8.9
137.09634	6.5
140.55586	2.2
143.08559	5.1
143.11848	2.4
145.02896	4.0
145.04887	3.0
145.10133	31.2
147.04457	9.1
147.06465	3.1
147.11650	11.9
149.09631	6.7
149.13286	4.9
151.07552	5.8
151.11186	10.6
159.11700	22.6
161.09648	2.6
161.13277	12.7
163.03947	2.8
163.07591	2.8
163.11186	19.4
165.12842	2.8
167.07069	14.3
171.11572	2.9
172.12605	2.3
173.13268	7.1
175.03926	10.4
175.14838	3.7
177.05493	6.9
177.12744	3.0
181.05008	7.1
195.06424	2.8
201.16403	29.9
202.08319	2.6
207.06572	19.1
219.08063	2.4
219.17445	23.8
229.15546	4.8
243.17038	2.6
245.08119	4.1
250.09322	3.1
265.08679	2.7
273.37592	2.5
318.37643	2.8
363.20041	2.5
367.11935	4.0
399.03680	3.3
399.14594	18.5
399.19858	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	399.1917
Annotation	(-)-11,12-Methylenedioxy-kopsinaline
Peak:m/z	Relative Intensity
51.50531	0.3
54.42980	0.4
55.01865	0.5
55.05494	0.6
57.09608	0.4
59.80463	0.3
63.02383	0.5
69.03413	0.9
69.07059	0.6
69.38349	2.0
69.38763	0.8
70.06596	6.8
72.08156	2.2
78.82306	0.4
79.05485	0.4
81.07081	0.4
83.04966	0.4
84.04492	0.5
84.08125	1.3
85.02898	1.0
86.09722	2.2
89.03424	0.4
89.03921	6.0
91.05457	1.3
94.72624	0.3
95.08596	1.4
97.02885	1.2
98.06048	0.5
98.97591	0.8
103.05466	0.5
105.03381	1.6
105.06994	0.7
107.08585	0.9
110.07169	0.6
111.04440	0.4
112.99210	0.3
117.03380	22.0
117.07007	0.5
119.04919	0.5
119.08566	0.8
120.08081	1.6
121.06498	0.7
123.08099	0.9
127.18351	0.4
129.10239	0.7
131.08586	0.6
134.03627	1.4
135.04437	0.8
135.11717	0.4
136.07515	0.4
137.05992	3.5
141.10234	0.4
143.08527	1.1
143.11682	0.4
145.02849	70.8
146.03172	1.6
147.04362	0.8
147.11642	0.6
149.05984	7.2
149.09595	1.2
159.08022	0.5
161.05968	1.0
161.09573	0.5
162.09140	0.5
163.03932	1.0
164.07039	0.7
171.08037	0.5
177.05475	100.0
178.05885	3.0
179.00227	0.5
186.05496	0.9
189.09113	1.9
189.12727	0.8
197.01202	0.9
204.10149	0.5
206.11772	19.7
207.06613	0.4
207.13832	0.9
208.04933	1.1
209.02704	1.0
223.14430	5.9
229.15474	0.5
232.09633	0.4
246.11154	0.6
249.12334	2.0
250.09254	0.4
265.08725	0.5
297.11316	1.0
307.14148	0.4
311.11588	0.7
318.16571	0.4
382.16553	1.8
399.19250	75.6
400.19406	1.1
409.17435	0.4
411.18518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
55.05518	1.9
56.85337	0.9
67.05496	1.1
69.83157	4.6
71.08637	1.8
79.05490	2.1
81.07059	3.0
91.05479	2.9
93.07046	1.4
94.04166	2.7
95.08620	1.3
98.97583	3.0
103.05477	5.2
105.07035	4.0
107.04958	2.7
109.06508	1.6
109.10168	1.8
115.05449	1.9
117.03402	1.0
119.05012	1.1
119.08571	2.8
122.03651	6.5
123.04428	1.3
129.05504	1.1
131.04939	3.7
131.08618	1.0
133.06522	1.5
133.10158	2.2
135.11725	1.4
136.06236	1.1
137.05983	59.2
143.08618	1.0
144.05711	1.7
145.02873	0.9
146.03639	3.3
147.04442	1.0
155.04889	3.3
159.11697	1.0
161.05989	14.7
163.07541	1.8
165.05481	3.2
165.06996	2.9
166.07719	1.1
167.07004	1.4
167.08440	1.2
171.11676	1.0
172.05240	1.9
177.00729	1.0
177.05434	1.7
177.06883	1.0
178.07780	1.0
179.08577	1.8
183.04478	1.3
187.07603	3.4
189.07007	5.9
190.07787	10.1
191.08578	10.2
194.07256	1.2
200.04735	1.2
201.07031	1.8
202.07845	4.3
203.08540	2.4
205.06482	4.1
207.08055	6.0
208.08839	3.2
215.06955	9.4
215.08781	1.6
217.06476	1.4
217.69939	0.9
218.07274	17.5
219.08075	19.5
220.05156	1.4
220.08762	2.5
221.06041	4.0
222.06808	1.0
229.06418	10.0
230.07339	2.8
231.08101	2.3
232.08904	0.9
233.06007	1.1
233.09671	3.6
234.06799	1.6
235.07585	11.2
236.08398	7.4
237.05426	1.0
237.09135	1.1
243.08139	1.0
245.06020	3.1
246.06781	16.8
247.07529	21.3
247.09952	1.8
248.08345	3.9
249.05544	2.6
249.09087	3.6
250.09831	2.0
251.07103	1.8
251.10750	3.3
257.06003	8.6
258.06735	3.6
259.07565	4.0
260.08444	1.2
261.09131	27.5
262.06409	0.9
262.09842	1.4
263.07074	11.2
264.07803	12.8
265.08508	1.1
266.18179	1.0
269.07990	1.2
273.05569	1.5
273.09024	1.3
274.06253	17.2
275.07025	12.0
276.07748	2.4
277.08701	4.6
278.09393	9.8
279.10199	6.9
280.07251	1.6
281.08243	0.8
289.08609	45.9
290.09384	9.7
291.06610	4.5
292.07297	3.0
293.11707	3.0
295.09714	3.0
306.08881	15.8
307.09641	55.9
309.07611	1.2
312.64142	0.9
321.11215	100.0
322.11505	2.0
324.10031	1.4
339.12244	15.9
399.14438	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05510	0.3
56.05040	0.4
56.96588	0.3
57.03436	0.8
60.71328	0.2
61.02948	0.2
65.35649	0.2
69.03430	2.8
69.07063	0.6
69.07819	0.2
69.98419	0.9
70.02943	0.5
70.03766	0.3
70.06598	6.2
71.06992	0.2
72.08154	2.2
74.06096	0.4
79.05488	0.4
81.03423	0.6
83.04978	0.3
84.04495	0.7
84.08142	1.1
85.02904	3.1
86.03242	0.3
86.06068	0.7
86.09714	2.5
87.00835	0.3
87.04461	0.9
88.03998	5.1
89.03925	0.5
91.05479	0.9
97.02888	1.9
98.03218	0.2
98.06065	0.2
98.21475	0.2
98.97558	0.2
99.04461	0.3
99.37306	0.2
101.01530	0.2
102.05517	0.3
103.05472	3.2
104.07098	1.2
105.07021	0.3
107.08570	0.2
109.02888	0.9
110.07174	0.6
114.42106	0.2
115.03947	0.4
116.07084	0.5
117.03387	2.3
119.04980	0.4
119.08591	0.4
120.08137	0.4
121.01107	0.6
121.06501	0.2
127.03928	0.9
129.05457	0.3
129.10274	0.8
130.05011	1.3
130.68944	0.2
131.04930	6.4
131.08543	0.2
133.04971	0.4
135.04361	0.4
136.06197	0.5
137.05968	0.5
145.02850	5.8
145.04915	0.8
147.04419	1.5
147.08084	0.2
148.04793	1.3
149.00555	2.3
149.05975	0.8
151.03918	0.3
161.06001	0.6
161.09692	0.3
161.30229	0.2
163.03871	0.3
163.07553	4.1
165.71527	0.2
166.00841	2.3
169.13434	0.4
173.09256	0.7
175.07613	0.3
177.05472	7.4
178.05833	0.5
179.06998	0.3
181.03180	0.6
183.14925	0.9
187.10744	0.2
189.09094	0.6
191.14310	0.3
193.01935	0.8
194.00340	32.5
206.11795	2.0
207.01083	0.5
207.04674	0.3
208.04266	3.3
209.02679	100.0
210.02954	1.0
211.14392	0.7
217.08337	0.2
223.14383	0.8
236.12819	0.3
237.13243	0.4
250.09404	0.4
254.04814	2.1
265.07483	0.3
283.08459	0.3
296.05817	1.1
307.08810	0.2
310.07489	1.9
316.35416	0.2
336.08774	0.3
399.12180	7.3
399.19052	4.5
399.26590	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52949	0.3
56.05028	1.0
56.96552	0.6
57.03403	0.3
69.03419	1.2
70.06594	3.9
70.27425	1.2
72.08162	1.8
74.02421	0.4
74.06095	0.6
83.06113	0.4
84.04504	1.1
84.08134	1.4
85.02903	1.2
86.09710	0.7
90.84361	0.4
91.05486	0.4
97.02889	4.1
97.04024	0.4
98.97590	1.0
102.05567	1.6
110.07181	2.8
111.07529	0.4
115.99433	0.3
116.07034	0.4
116.82707	0.4
118.08672	0.8
119.04945	0.5
119.98391	0.3
120.08128	2.0
121.08484	0.4
127.03972	0.5
129.10303	0.5
135.47379	0.3
136.06192	4.6
137.05968	1.0
147.04427	1.0
148.04752	0.5
151.73669	0.4
156.07684	0.4
163.03966	0.4
166.08647	0.8
173.09227	0.5
213.12418	0.8
219.01712	0.5
237.02718	0.4
250.09369	4.0
264.09103	0.4
267.08749	0.3
267.11740	0.6
298.09973	0.5
321.04086	0.4
339.03860	0.4
399.12619	100.0
400.13016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.5
56.05038	2.5
56.96560	3.1
67.60233	1.2
69.03419	3.9
69.07067	5.0
70.06586	13.4
70.92695	1.1
71.08621	2.1
71.50822	1.5
72.08151	5.1
74.06078	1.7
81.03426	2.0
84.04518	3.7
84.08150	5.5
85.02894	4.0
86.09715	6.6
87.08103	4.2
91.05488	5.5
93.67553	1.2
97.02882	7.7
98.97572	5.7
101.00871	5.1
101.06036	1.8
102.05547	2.2
103.37096	1.2
104.13463	1.4
105.09139	2.8
110.07178	11.7
111.04478	2.0
113.00860	2.1
115.08685	2.1
116.07087	3.0
116.90718	1.3
119.01955	8.2
119.04979	3.7
120.08124	4.0
127.02415	2.6
127.03905	1.5
128.98615	1.4
129.05498	1.7
129.06654	1.6
129.10307	2.0
131.01918	4.0
131.04906	1.3
131.49411	1.3
136.06203	3.7
136.07590	2.0
137.05992	18.1
143.01859	1.8
145.03528	7.8
145.04510	1.3
155.01875	5.0
156.02704	3.0
157.03508	3.5
158.09215	3.5
161.02956	5.2
167.01945	2.1
167.07156	1.5
168.02640	2.2
173.03001	7.9
175.11888	2.1
177.03976	3.9
177.05489	4.0
179.01797	2.1
181.03461	4.6
183.05046	3.0
185.02951	5.6
194.99835	1.7
195.05046	33.4
195.06738	2.4
197.02982	4.3
197.12848	3.2
203.03975	2.8
213.06105	9.0
219.01799	4.4
219.05049	2.3
221.05000	9.7
225.06052	1.4
231.05038	3.4
231.07117	2.3
233.06572	1.7
237.02744	4.2
237.06108	9.3
245.04955	8.2
246.03772	5.2
248.05417	1.6
249.06105	5.0
250.09341	4.1
251.07585	2.1
255.07251	4.0
261.06073	5.2
263.06058	1.7
267.07236	1.9
273.06097	4.3
279.07169	5.3
291.07077	11.5
294.05832	14.3
297.08289	2.1
309.08240	8.4
339.09268	100.0
340.09317	1.9
357.05753	2.1
357.10300	39.4
380.11908	2.7
399.06262	2.7
399.11420	17.8
399.16162	2.7
399.23593	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82687	1.4
53.03944	1.9
55.01877	3.9
56.67215	1.5
57.03444	16.8
59.04998	3.5
59.47436	1.4
60.04521	2.0
61.02926	4.0
69.03436	56.1
69.07079	26.0
69.49041	11.0
70.06583	5.7
71.05006	2.7
72.08166	16.8
73.02899	4.0
74.06076	1.6
81.03434	10.3
81.07034	2.1
84.08172	1.9
85.02913	69.9
86.09711	5.0
87.00821	5.8
87.04477	37.5
90.09204	11.0
91.03971	3.9
91.05481	5.5
93.07045	1.9
95.08607	2.1
97.02902	53.4
98.21469	3.2
99.04468	5.1
105.01890	11.6
107.08613	1.5
109.02899	7.2
110.07172	1.6
111.08103	5.0
115.03940	57.7
117.03362	3.0
119.04951	16.1
119.08593	2.0
127.03927	21.9
129.10220	1.9
133.04974	68.5
135.06075	1.5
145.02930	9.1
145.04965	27.3
147.04424	100.0
150.05524	2.2
150.07622	7.0
159.02919	4.8
163.03969	1.9
163.06050	10.3
169.04898	1.7
174.05516	2.4
177.05495	12.7
189.00169	1.8
201.11246	4.1
206.11836	2.1
209.02826	2.1
213.11276	1.8
219.12242	2.1
231.05061	4.7
236.12820	30.6
241.07152	2.2
259.08075	2.0
295.10358	2.8
399.18982	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02276	2.1
52.26929	2.2
55.01862	4.1
55.52569	2.3
57.03442	16.7
59.05000	5.5
60.04518	2.2
61.02937	4.6
62.58991	2.3
64.64562	2.2
69.03432	72.7
69.06733	3.7
69.07075	42.3
69.26987	18.6
70.06580	8.3
72.08158	3.3
73.02901	4.0
78.87232	2.2
81.03412	9.4
84.08127	2.1
85.02911	76.6
86.09697	6.3
87.00801	6.5
87.04476	45.1
92.14015	2.1
97.02892	67.8
99.04445	8.1
104.54185	2.1
105.01868	11.5
107.04950	3.0
109.02872	9.3
115.03938	80.3
116.07049	2.6
117.03381	5.2
119.08597	3.7
119.85823	2.2
127.03915	32.0
133.04973	100.0
135.04401	2.8
137.09625	2.6
145.02890	13.2
145.04967	36.3
149.05959	3.0
150.07622	7.1
159.02904	5.0
163.06017	18.9
177.05478	24.4
201.11215	12.3
206.11742	4.5
231.05070	4.9
259.08179	5.7
277.09344	4.7
285.61850	3.0
295.10272	5.4
399.19391	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	397.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	14.5
57.07068	21.1
67.05516	33.0
69.07078	34.0
71.08630	21.4
79.05508	15.6
79.48019	5.1
81.07070	60.9
83.08634	12.4
85.10193	7.9
87.13366	5.7
87.65079	5.4
91.05487	19.3
93.07037	29.6
95.08622	50.7
97.10189	9.1
98.20786	22.4
101.81521	5.4
105.07037	26.6
107.08623	16.3
109.10167	37.0
111.11702	5.2
119.08596	23.9
121.10159	21.5
123.11735	15.3
133.10152	18.8
135.11720	29.6
147.11714	64.1
149.13303	10.5
159.11731	6.2
161.13255	46.6
175.14822	21.5
189.16425	10.3
203.17929	7.3
209.13538	5.3
215.17946	5.3
217.19643	6.1
243.21021	8.7
333.89297	6.2
339.79919	5.8
397.38361	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.6
56.96553	0.7
67.05509	1.2
69.03425	2.0
69.07067	1.4
70.06599	4.6
71.51741	0.8
72.08153	1.9
74.18739	0.5
75.04531	0.6
79.05475	1.3
81.03429	1.2
81.07053	2.3
83.08632	1.3
83.13887	0.5
84.08150	1.5
85.02921	2.7
85.06580	0.7
86.09722	3.8
89.03901	0.8
91.05488	2.2
93.07041	3.0
95.04949	0.8
95.08600	1.2
97.02911	2.1
98.97594	1.0
100.11282	4.2
105.07038	1.9
107.04965	1.6
107.08605	2.2
109.02871	0.8
109.10160	1.0
110.07161	2.0
111.04460	0.7
117.03428	0.7
119.04915	0.6
119.08598	1.9
120.08112	0.7
121.06504	0.9
121.10152	2.3
123.08118	0.6
123.11743	0.6
127.03860	0.7
129.10234	1.0
130.06516	1.2
133.02859	0.7
133.10185	1.1
135.08051	0.6
135.11746	1.4
136.06187	3.4
137.05957	2.9
143.50742	0.6
145.02861	1.5
145.06458	0.7
145.10170	1.1
149.06006	1.1
159.11725	0.7
161.13258	1.0
163.03793	0.6
167.07047	1.7
175.06093	0.9
177.05516	3.5
182.15475	1.1
187.03709	3.1
189.16431	0.9
196.16963	0.6
201.05298	4.2
201.09280	0.9
202.06021	43.2
203.06686	0.9
210.14926	1.0
213.09256	0.7
217.13457	1.1
217.15887	1.3
218.05545	2.0
223.06088	0.6
227.17627	0.6
235.14648	2.9
235.16841	1.0
246.18909	0.6
268.10669	1.2
298.01544	0.6
333.26996	2.0
367.11539	4.0
379.11539	3.8
396.80362	1.0
397.12592	100.0
397.17404	6.3
398.13049	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01862	5.1
55.05520	24.5
55.26555	2.5
57.03447	15.4
57.07082	12.9
64.99445	2.9
65.03935	2.8
67.05510	92.2
69.03435	39.0
69.07072	33.5
71.04977	10.4
71.08621	6.9
71.11647	3.9
79.05496	26.7
81.03434	7.5
81.07061	100.0
83.08620	19.1
85.06519	3.8
85.10183	5.6
87.63514	2.3
89.06026	5.5
91.05494	18.3
91.59761	2.3
93.07047	30.7
95.08614	81.5
97.06509	6.5
97.10174	14.6
99.04453	22.5
99.08109	4.4
105.07039	18.5
107.08613	23.6
109.10168	40.0
111.08076	2.9
111.09675	2.5
111.11729	4.0
117.05461	12.1
119.08578	14.8
121.06499	7.1
121.10140	24.2
123.08092	3.7
123.11684	20.0
126.60127	2.7
133.10139	14.9
135.11684	18.7
137.13242	9.4
147.08086	2.9
147.11685	8.3
149.13271	9.2
155.14337	2.5
161.13266	9.7
163.14836	5.6
165.16426	3.1
175.14854	13.0
189.16470	5.4
245.22704	17.2
250.58113	2.7
256.07483	2.8
263.23709	28.7
271.15494	4.9
277.21793	3.5
292.66498	2.6
319.13983	3.3
379.28494	7.2
397.18164	4.1
397.30197	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	396.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.5
56.05036	3.9
60.04531	100.0
67.05486	5.9
69.07057	6.1
71.52675	2.3
72.04495	1.8
73.39500	1.9
74.06102	9.8
79.05499	5.9
80.05016	3.1
81.07054	9.4
83.08616	3.0
83.23534	1.5
88.12521	1.9
91.05505	2.3
93.07025	3.3
94.14352	1.9
95.08617	8.6
96.30035	1.6
109.10155	5.3
113.99536	1.7
119.08529	1.8
121.10155	2.7
144.32561	1.8
160.80203	1.5
233.06747	1.7
262.25323	1.8
280.26245	8.1
287.28366	1.5
298.27435	48.0
301.95834	1.7
330.50815	1.7
336.20816	3.1
396.25174	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	396.3474
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
55.05504	2.9
57.07063	2.0
67.05493	3.1
69.07080	4.4
69.35976	4.2
69.36385	1.5
71.08620	0.7
75.55351	0.6
79.05486	1.3
81.07070	3.9
83.08624	2.6
86.09706	100.0
89.06031	0.6
93.07064	1.3
95.08622	4.1
97.10152	1.5
107.08572	1.2
121.10156	1.5
128.99043	0.7
132.10208	60.1
135.11719	0.8
151.56313	0.8
350.34250	2.2
372.55151	0.7
396.34525	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
55.05510	6.4
56.05030	4.5
56.96573	0.8
57.03432	0.9
60.04510	1.7
69.03412	2.7
69.07055	1.6
69.45023	6.2
70.02940	2.2
70.06595	13.7
71.05001	1.2
72.08157	62.8
74.06073	9.2
79.05450	1.0
81.03410	1.0
82.06586	6.8
84.04507	9.2
84.08149	7.4
85.02886	3.8
85.04021	1.2
85.08484	1.1
86.09710	15.6
88.03987	13.0
91.05486	6.5
95.04964	1.0
96.04504	0.9
96.08132	2.7
97.02899	1.7
98.02399	3.2
98.06036	1.0
98.09698	1.1
98.97582	1.8
99.09229	2.4
100.07529	0.9
102.05543	5.8
103.05433	1.8
107.04941	1.6
110.07178	4.2
112.07613	1.5
112.08722	1.7
115.08679	1.6
116.07048	0.8
119.04958	6.4
119.08205	1.1
120.06557	2.8
120.08109	38.4
121.06522	0.9
121.08392	1.3
123.04443	6.0
124.07584	3.4
127.03967	1.0
127.08686	15.8
128.07047	2.9
129.05412	0.9
129.10239	4.6
131.04939	1.3
136.07578	38.2
137.05977	2.4
137.07777	0.8
140.07076	5.1
140.07957	0.9
141.10193	1.4
142.07590	1.9
142.08638	25.4
147.04405	3.5
152.07051	1.6
153.09042	1.0
158.08130	1.5
162.07616	1.1
163.03894	3.5
164.49857	0.9
165.05508	11.3
166.08653	14.3
167.08125	1.6
169.09766	5.1
170.08157	3.2
179.92046	0.9
181.08557	1.2
182.05630	1.1
182.08134	20.8
185.05534	1.9
185.09200	2.6
187.10786	100.0
199.09532	1.1
203.10172	1.6
213.08780	2.0
215.10274	28.1
218.08214	1.2
231.09654	2.3
234.11453	1.2
244.09158	1.4
249.12314	2.8
249.16010	8.3
265.11551	0.9
273.12320	0.9
277.11847	3.1
277.15427	3.4
313.04950	1.0
378.17395	4.9
396.12393	2.1
396.18317	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	11.7
57.07080	15.9
63.39246	1.6
67.05510	22.7
69.06728	2.2
69.07074	24.9
70.56786	3.1
71.08636	14.9
79.05499	11.7
81.07059	56.3
83.08627	12.2
85.10185	9.6
89.06046	2.8
91.05484	16.0
93.07052	19.3
95.08610	36.1
97.10165	13.1
98.20838	1.9
105.07037	28.4
107.08599	19.0
109.10161	19.0
111.11722	6.6
115.05579	1.6
117.07027	12.4
119.07858	1.7
119.08582	11.8
121.10165	8.6
123.11731	8.7
125.13288	2.6
129.06979	5.2
130.07834	2.0
131.08575	16.7
133.10133	30.3
135.11682	8.5
137.13266	3.3
139.14746	1.3
142.07782	2.4
143.08568	5.0
145.10123	46.6
147.11685	22.9
149.13297	4.0
151.14832	1.8
157.10162	8.0
159.11696	39.0
161.13258	7.1
163.14845	3.3
165.16368	1.8
171.11694	4.2
173.13255	9.7
175.14862	2.5
185.13292	5.9
187.14842	5.2
195.12350	2.8
199.14848	7.0
201.16396	3.7
213.16412	5.9
227.17958	3.6
228.71573	1.6
241.19540	6.3
247.24185	2.8
255.21104	4.5
261.25705	2.1
275.27338	3.4
289.29025	2.9
395.36786	100.0
396.37146	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.2
53.99477	3.3
55.05508	14.4
57.07079	23.6
62.58033	2.8
67.05511	28.1
69.07079	29.5
71.08625	21.1
71.34552	4.0
79.05495	16.7
81.07063	72.0
83.08607	12.8
84.50550	2.8
85.10194	16.1
91.05486	19.1
93.07035	19.3
95.08608	37.0
97.10153	10.2
105.07044	38.5
107.08588	21.3
109.10137	17.8
111.11742	7.5
115.05457	4.9
117.07021	19.0
119.08582	17.6
121.10156	14.4
123.11728	14.3
129.07008	6.0
130.07802	5.2
130.08757	3.4
131.08562	22.0
133.10167	33.3
135.11703	6.6
137.13240	4.7
143.08548	6.9
145.10138	49.8
147.11711	25.2
149.13156	4.7
157.10146	10.1
159.11710	43.7
161.13264	11.7
166.28098	3.2
166.45638	3.5
171.11714	6.4
173.13309	14.9
175.14890	3.9
177.16307	4.8
185.13356	6.3
193.42723	3.1
199.14803	5.3
213.16348	6.4
241.19609	7.7
255.21089	5.2
261.25836	3.5
262.30832	3.6
275.27362	3.9
297.25879	5.2
371.17944	3.2
395.36783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83983	1.4
55.05514	7.8
57.03435	1.5
57.07085	3.0
57.41451	1.5
65.03920	1.7
67.05507	20.2
69.07074	11.3
69.75979	2.5
69.76376	7.8
70.02957	16.2
74.02450	21.4
78.91759	1.5
79.05508	8.5
80.81295	1.4
81.07060	31.0
83.08627	6.8
87.05600	61.7
88.03998	95.9
90.05540	3.5
91.05479	10.0
93.07047	12.8
95.08618	23.7
97.06550	2.7
97.10177	3.4
99.00810	3.2
105.07040	17.6
107.08611	13.0
109.10173	12.1
116.03474	6.8
117.06984	1.9
119.08589	8.3
121.10138	6.8
123.11697	4.7
127.11164	2.0
131.08592	11.9
133.06102	100.0
133.10104	7.4
135.11693	5.3
137.13261	2.2
145.10117	5.1
147.11713	5.3
149.13254	5.1
157.10062	3.0
159.11717	13.3
161.13254	8.0
163.14835	6.5
171.11697	4.4
173.13275	23.0
175.14854	6.9
177.16417	2.3
185.13327	3.0
187.14824	5.1
189.16414	4.4
202.62479	1.7
243.21016	2.8
245.22713	5.0
245.25148	1.6
259.05038	1.7
263.23761	5.8
304.26285	2.0
315.23294	2.9
332.25845	5.7
332.89883	1.7
350.26889	11.6
356.64096	1.8
377.32217	2.3
378.26498	5.5
395.27771	10.9
395.33112	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
57.07080	0.7
67.05511	9.6
69.07067	4.0
69.58852	1.7
71.08630	0.6
75.69978	0.3
79.05490	2.1
81.07061	9.1
83.08638	1.0
86.09710	100.0
87.10072	0.4
87.15850	0.3
88.11263	0.3
89.06034	2.4
91.05479	1.7
93.07047	2.0
95.08615	7.7
97.06535	0.6
97.10148	0.6
98.21496	0.6
99.08104	0.4
105.07027	0.8
106.35603	0.3
107.08615	1.3
107.76392	0.3
109.10158	3.3
111.08007	0.4
119.08581	0.6
121.10160	1.4
123.11711	1.7
132.10210	60.7
133.08617	0.9
133.10173	1.1
135.11676	0.5
137.13287	0.3
139.11224	0.3
144.80458	0.3
147.11668	0.8
149.13277	0.8
161.13290	0.8
163.14832	0.9
175.14775	0.5
178.50977	0.3
179.17917	0.5
195.12289	3.1
245.22624	1.8
263.23779	1.8
287.17816	0.3
348.28442	0.4
348.32584	5.6
376.31894	0.4
394.33115	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05029	1.4
60.04517	1.0
61.02885	0.5
66.17830	0.4
67.05489	0.5
69.03402	1.5
69.07059	1.2
70.06598	13.4
71.04963	0.5
71.06925	0.8
72.08163	5.9
74.06062	1.2
81.03441	0.7
82.39907	0.4
83.72852	0.5
84.04523	3.8
84.08147	8.0
85.02900	2.9
86.03205	0.6
86.09710	8.6
86.86392	0.4
88.03970	1.4
89.03891	0.5
91.05450	1.1
93.07011	0.7
93.49505	0.4
95.02451	0.9
95.06106	0.5
97.02897	1.9
98.06063	0.7
98.97586	1.4
101.07153	1.0
102.05560	1.0
103.05470	0.5
104.05319	0.4
107.04948	0.5
109.02863	0.6
110.07195	2.9
110.97569	0.5
111.44955	0.4
112.08715	0.8
113.03483	4.2
113.07129	0.6
115.08685	1.0
116.07092	1.4
117.03385	1.4
118.03719	0.6
119.04948	1.1
120.08095	3.1
121.06482	0.5
121.32701	0.4
127.03946	0.8
129.10251	4.5
130.05035	0.6
130.10579	0.5
132.10173	0.5
134.04456	0.7
135.04410	1.7
136.04782	1.2
136.07565	1.4
137.05998	1.7
141.06622	0.5
145.02797	2.1
145.05019	0.8
146.03172	0.9
147.04422	3.3
147.07675	1.2
151.07472	0.5
152.07094	0.5
163.03914	12.7
163.94554	0.4
164.04260	10.1
164.07079	1.0
173.99719	0.4
177.05432	1.8
177.10289	0.4
185.04257	2.5
186.12343	0.5
187.14491	0.5
217.04774	1.3
219.01875	0.5
232.07069	10.4
232.09506	0.8
233.07933	7.0
233.10069	1.2
238.11331	0.5
239.06667	1.4
326.56781	0.4
364.11386	1.3
365.12015	0.7
395.13156	100.0
396.13705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01867	5.4
55.02140	1.4
55.05518	7.0
56.96546	1.5
57.03428	5.7
61.02913	6.2
62.64769	1.4
67.05489	2.7
68.99781	2.7
69.03435	33.7
69.07075	44.5
70.06579	1.8
70.09849	5.8
71.04980	4.7
73.02921	7.1
79.05486	2.6
81.03424	22.4
81.07040	5.0
83.01372	1.6
83.04955	1.4
83.34252	1.3
85.02914	100.0
86.09722	1.8
87.00835	52.4
87.04465	1.3
91.05474	5.4
93.07069	3.3
95.04973	1.8
95.08593	5.7
97.02899	41.2
98.20868	1.9
98.97563	1.6
99.04474	11.3
105.01878	87.2
105.07035	4.0
107.08557	1.8
108.04457	3.4
108.08910	1.7
109.02894	26.9
109.10168	2.3
111.11768	6.8
115.03863	1.8
117.01868	3.1
117.44405	1.3
119.04902	1.9
119.08609	4.3
120.08083	5.1
121.06516	1.8
121.10097	2.0
123.11728	1.8
126.05506	2.1
127.03929	79.8
128.14352	1.9
129.01883	3.8
132.08072	1.5
133.10220	2.7
145.04976	42.5
145.10072	2.4
147.02892	3.0
149.13298	1.6
151.07544	3.8
153.12787	1.5
159.02917	13.6
159.09212	7.0
163.03912	9.0
166.08612	1.5
185.74263	1.6
189.03917	3.8
201.10243	3.1
213.03931	4.5
219.13840	1.7
229.09721	2.3
231.05013	27.0
232.09608	2.8
237.14972	2.1
248.07732	2.0
249.06094	13.1
270.19321	1.7
341.15848	1.4
394.20209	2.0
394.35349	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37778	0.7
55.01877	0.7
55.05520	3.8
55.61319	0.6
56.05028	1.8
56.96558	0.9
57.03421	0.8
57.05799	0.7
60.04516	2.6
61.01144	0.8
61.02918	0.8
68.09855	0.7
69.03419	2.3
69.07081	0.6
70.06210	1.0
70.06596	20.4
72.08158	47.8
73.02917	1.0
74.06071	2.3
79.05492	1.5
81.03411	2.2
83.05006	0.7
83.06080	0.7
84.04509	9.2
84.08143	12.8
85.02916	5.6
85.07706	0.7
86.09708	7.2
87.04452	0.7
87.05553	0.7
88.03993	1.6
89.03918	1.9
91.05461	3.9
93.07042	1.7
95.04976	0.9
96.04478	2.0
96.08150	1.1
97.02888	2.4
98.06028	0.7
98.97588	2.2
99.07097	0.6
101.07143	1.1
101.10777	1.1
102.05549	2.8
103.05474	3.7
104.05329	0.7
107.04968	1.7
109.02876	0.9
109.97076	0.7
110.06026	0.9
110.07174	4.6
112.08723	1.0
115.08676	1.0
116.07100	1.7
117.03371	3.1
118.06544	0.9
119.04944	2.8
120.08108	100.0
121.06500	1.1
121.08456	1.4
123.04415	0.8
127.03942	1.0
127.08685	0.7
128.03316	0.6
129.06607	1.0
129.10234	6.3
130.04993	3.3
130.10564	1.3
134.09781	0.8
135.04424	6.7
136.06245	0.7
136.07581	2.3
137.05975	4.8
145.02838	5.6
145.05144	1.9
146.04303	0.7
146.06027	1.7
147.04442	5.9
148.06073	8.0
151.06346	1.1
151.07549	2.2
152.07069	1.5
157.09708	1.3
158.99629	0.7
162.07507	0.8
163.03908	46.1
164.04268	0.7
164.07085	0.7
167.07018	1.2
175.07547	0.9
177.05557	1.4
179.07014	0.7
187.06320	0.8
191.05740	0.9
205.10074	0.8
214.05446	0.8
219.14943	40.3
232.09695	20.0
247.14583	16.9
255.11171	1.1
256.07065	0.7
288.12283	0.8
295.12894	3.4
394.10001	1.2
394.14688	7.9
394.19171	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
69.07071	2.0
70.02959	2.0
70.06595	5.7
71.03125	0.7
72.08151	2.6
73.02923	4.0
77.50483	0.4
84.04494	0.9
84.08141	3.5
85.02901	0.9
85.04023	1.6
86.02421	0.7
86.09708	66.6
87.10049	0.8
88.03997	10.3
88.04539	0.6
89.39214	0.4
91.05460	2.5
96.04494	0.6
96.08142	2.7
97.87144	0.6
98.02412	3.7
98.97572	0.7
100.03968	4.7
103.05471	2.3
110.02373	0.6
110.07143	1.3
110.09676	0.8
111.99636	0.5
113.10764	3.0
114.05536	0.5
114.92746	0.5
115.05067	0.6
116.07081	0.7
117.03329	0.6
120.08109	48.0
121.06466	0.6
121.08450	1.5
129.10223	1.8
130.06514	3.8
131.04945	1.1
132.10202	0.7
135.48387	0.4
136.07631	0.5
137.05933	1.0
138.09138	5.5
141.10233	13.0
142.04964	0.5
142.08664	1.6
144.08116	1.0
145.02818	1.7
146.05942	0.6
147.04376	0.7
149.05977	1.2
155.11813	1.5
156.10202	13.2
162.05397	0.5
163.03937	1.1
166.08643	20.3
172.07593	1.5
175.08661	2.2
177.05489	1.5
183.11301	8.1
184.09686	3.8
190.08630	1.1
201.12344	100.0
202.12685	0.6
212.09128	0.6
229.11848	24.6
235.10796	8.9
241.08954	0.5
263.10193	1.4
279.17041	2.0
330.18079	0.9
355.11169	1.0
394.18506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88032	0.6
55.01876	1.1
55.05513	7.0
56.05030	2.9
60.04520	1.1
67.05508	0.9
69.03426	1.8
69.07051	0.9
70.06586	6.5
71.52150	1.1
72.08156	73.6
73.08513	0.8
74.02403	0.6
81.03398	1.1
81.07063	3.2
84.04506	21.2
84.08145	4.3
85.02888	3.4
86.09708	24.6
88.04009	1.0
91.05486	2.3
93.07065	1.5
95.04979	0.7
97.02930	1.2
102.04863	0.9
102.05547	14.8
102.06190	1.2
103.05479	3.3
104.05317	0.7
106.04989	0.8
107.04987	1.3
109.06502	1.3
110.07151	1.8
116.07051	1.3
117.03368	1.2
118.08657	13.9
119.04916	0.8
119.08591	0.7
120.08109	100.0
121.08421	2.5
124.87440	0.6
125.05952	1.5
127.03945	0.9
129.10258	2.8
131.04916	1.6
133.10118	0.6
135.04407	2.0
136.07573	1.8
137.05984	16.3
138.09132	5.7
145.02879	1.9
145.04941	0.8
147.04411	1.4
147.11386	0.9
149.05916	0.7
152.07014	0.9
155.11787	1.3
156.10193	4.1
160.27022	0.7
161.05937	0.6
161.09589	0.9
163.03912	13.7
166.08638	27.2
173.12930	0.8
177.05521	1.5
179.10675	10.2
183.11296	12.2
185.16507	2.9
186.09134	4.6
197.11729	13.3
201.12360	24.8
204.10258	1.4
211.10797	5.0
213.16020	1.8
215.12906	0.8
216.08850	1.9
217.09030	2.7
219.14856	1.5
223.10802	0.8
229.11844	15.8
231.11310	9.2
232.09758	2.4
233.16495	13.7
241.09106	1.3
246.64642	0.8
247.12857	1.8
249.12355	8.2
259.10852	2.8
261.15979	5.4
265.15552	1.9
277.11719	5.1
301.11267	1.8
330.18195	0.7
376.18643	0.8
394.15707	1.5
394.21118	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1979
Annotation	Asp Ile Phe
Peak:m/z	Relative Intensity
53.03952	0.6
54.03462	0.5
57.07085	0.5
62.71043	0.5
62.94581	0.4
64.46452	0.5
67.05520	0.7
69.03413	0.7
69.07066	10.2
70.02949	1.6
70.06601	3.9
71.04977	0.6
71.51840	0.8
72.08140	1.4
84.04500	0.9
84.08143	2.4
85.02905	3.0
85.04034	1.5
86.09711	59.8
87.04495	0.6
88.03490	0.9
88.03998	11.8
89.03912	1.1
91.05473	1.5
93.07043	1.3
95.04989	0.5
96.08147	5.3
97.02878	0.9
98.02416	4.5
103.05467	1.4
107.04967	1.0
110.07187	1.0
110.09705	2.5
113.10761	1.4
113.45472	0.5
114.11620	0.4
115.05040	1.3
117.03381	1.5
119.04954	1.1
120.08113	34.4
121.06499	0.6
121.08434	0.7
121.51945	0.6
124.07591	0.6
127.03927	0.5
129.10240	0.8
129.48260	0.4
130.06581	0.7
131.04921	1.3
133.06111	1.8
135.04408	2.6
136.06253	0.8
137.05980	2.5
138.09152	1.5
141.09164	0.9
141.10237	12.0
142.08655	2.4
145.02832	2.7
145.05042	0.5
147.04347	0.6
149.06015	0.8
151.07588	0.8
155.11832	1.0
156.10217	20.2
163.03915	22.8
166.08653	14.2
177.05467	0.8
183.11357	5.0
184.09697	2.0
197.11795	0.8
201.12354	100.0
202.12668	1.3
214.45862	0.5
229.11856	19.9
230.12114	0.5
232.09621	1.4
234.19112	0.5
235.10809	1.4
263.10181	1.2
279.16827	1.1
394.19260	1.0
395.16763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1971
Annotation	Glu-Phe-Val
Peak:m/z	Relative Intensity
55.01855	1.9
55.05511	7.9
55.77864	0.6
56.05035	3.5
57.03443	0.8
57.05814	0.9
57.79544	0.6
67.05488	0.7
68.05013	0.8
69.03415	2.5
69.07047	1.5
70.06579	7.6
71.51315	0.8
72.08154	87.4
79.05491	0.9
80.67885	0.6
81.03434	1.3
81.07056	4.5
84.04501	25.7
84.08140	2.8
85.02911	5.7
85.06564	0.8
86.09704	18.0
91.05468	2.3
93.07034	1.6
95.08620	1.1
96.04496	1.3
97.02863	1.5
97.06538	0.7
98.97554	1.3
102.05539	20.2
103.05437	3.7
107.04937	1.4
107.08551	1.1
109.06508	2.3
109.69450	0.8
110.07133	1.5
110.09671	1.8
111.04354	0.8
115.55875	0.7
116.07058	1.2
117.03376	1.6
118.08646	10.0
120.08102	100.0
121.08413	1.9
125.05990	2.6
125.09644	0.9
126.93128	0.8
127.03918	2.6
129.10246	2.6
131.05037	0.7
133.10135	2.4
135.04411	2.9
136.07568	0.8
137.05980	40.4
137.09615	1.9
138.09132	7.5
145.02846	3.3
145.05028	0.9
146.06023	0.9
147.04414	1.2
149.05998	1.5
149.09633	1.1
152.07101	1.1
155.11826	1.7
156.10193	5.8
161.09619	2.8
163.03911	19.5
164.07037	0.8
166.07231	2.0
166.08636	37.6
177.05504	2.0
179.10658	19.2
183.11285	21.7
185.16579	0.9
186.09135	4.2
197.11725	25.5
201.12341	38.5
204.10280	0.9
211.10771	7.2
215.12613	0.8
217.09315	0.8
219.14963	3.1
229.09517	1.3
229.11824	25.7
231.11263	8.7
232.09749	4.9
233.16492	6.9
247.14601	1.3
249.12347	5.7
259.08072	0.8
259.10791	2.6
261.16055	2.9
265.15472	2.0
277.11832	5.2
295.12918	1.3
309.73770	0.8
376.18469	1.2
394.21567	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	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01870	1.5
56.05039	4.6
56.96557	2.1
57.03435	3.8
60.04515	1.7
61.01132	1.3
61.02921	4.2
69.03429	8.4
69.07053	1.2
70.06602	10.7
71.04965	1.0
71.30142	1.2
72.08165	4.8
73.02927	2.8
74.02435	1.6
74.06078	1.2
81.03419	2.9
84.04510	3.7
84.08160	8.2
85.02911	21.9
86.09722	5.1
87.04456	2.0
87.05581	1.3
88.04011	2.7
91.03964	0.9
91.05480	10.3
91.07688	0.9
91.54430	0.9
94.04252	1.1
97.02899	9.5
98.97584	8.7
99.04462	1.2
101.00928	1.0
102.95004	1.0
104.05381	1.7
107.04990	2.6
109.02861	1.0
110.07185	3.4
110.97603	0.9
116.07119	2.3
116.98625	2.4
118.08656	1.9
119.01896	1.5
119.04956	24.9
120.08096	5.8
121.06531	1.4
122.03664	2.5
123.04404	1.3
127.03943	4.3
129.10255	3.8
130.04959	1.2
131.04935	1.6
135.04453	2.1
136.07570	2.6
137.05988	100.0
138.06303	1.3
141.10262	1.2
143.00203	1.1
143.01857	1.6
145.03452	1.4
145.04991	2.9
146.03430	1.0
147.04424	51.0
149.06013	2.7
151.07550	2.9
152.07069	1.8
155.01968	1.0
158.99673	2.6
161.02924	1.0
163.03865	4.7
163.07629	0.9
164.07082	3.2
165.05562	0.9
166.05386	2.7
166.07272	7.0
166.08479	1.3
167.07043	7.7
171.07675	2.8
173.03004	1.1
177.00858	1.1
177.05513	3.7
178.05914	0.9
179.07045	59.3
181.08626	1.6
187.04517	1.4
193.32681	1.1
197.08090	19.6
197.09824	1.6
209.08034	1.2
214.04953	1.3
217.05612	0.9
219.01814	2.0
219.08037	1.7
219.14818	1.1
223.05527	4.7
223.55699	1.0
233.13002	1.3
237.02846	2.2
238.57303	1.0
239.01003	0.9
263.07047	1.0
265.07669	1.3
275.02441	2.0
288.06967	1.1
294.41345	1.0
295.07559	3.6
304.07858	2.2
304.58139	1.0
394.19281	1.8
394.34799	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61411	0.8
53.03944	0.9
54.94513	0.7
55.01829	1.1
55.05511	0.8
60.04510	1.0
69.03424	2.9
69.07073	4.6
70.06601	8.5
71.04995	1.1
71.51763	1.2
72.08149	3.2
79.05494	1.4
81.03423	1.4
82.76929	0.7
84.04532	1.1
84.08138	3.3
85.02911	9.6
86.09712	27.8
87.10043	1.3
88.03999	5.3
89.03918	5.4
91.03961	0.7
91.05477	1.3
93.07020	0.8
95.04966	0.9
96.08128	2.5
96.20516	0.8
97.02908	4.1
98.02447	1.3
98.97627	1.1
103.05489	0.8
107.04963	2.2
110.07162	1.3
111.97189	0.8
116.07056	0.7
117.03407	5.6
120.08113	15.1
121.06510	1.6
121.10155	1.1
127.03944	1.6
129.10252	2.1
130.06543	0.8
131.04971	0.8
133.06111	1.1
135.04440	10.6
136.06314	0.9
136.07593	0.8
137.05992	1.2
138.09073	0.8
139.49503	0.7
141.10225	4.6
142.08662	1.1
145.02869	9.9
145.04982	2.3
151.11180	2.3
156.10196	8.1
163.03920	100.0
164.04274	1.2
166.08646	6.3
177.05415	1.7
179.10770	1.1
183.11308	1.7
190.08604	0.7
197.11691	3.0
201.12357	42.6
220.17934	0.7
227.34775	0.8
229.11844	8.8
232.09727	1.9
235.10922	1.0
306.55841	0.8
382.19363	0.9
394.13101	1.2
394.18628	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56120	0.3
55.01859	0.4
57.03429	0.4
60.04488	0.3
61.02926	1.8
69.03429	2.4
69.96054	0.4
69.96407	1.2
70.06593	3.1
72.08160	1.8
73.02909	0.7
74.02505	0.3
79.05486	0.7
81.03396	1.1
84.04520	0.3
84.08142	0.6
85.02905	9.5
86.09705	4.9
87.04412	0.3
89.03912	3.1
91.03956	0.5
91.05478	0.4
97.02888	3.6
97.22314	0.4
98.21397	0.4
99.04443	0.5
107.04945	1.2
108.66467	0.3
109.02860	0.7
110.07120	0.4
116.07103	0.4
117.03379	5.9
118.65616	0.3
120.08111	2.3
127.03900	2.0
129.10220	0.6
130.06538	0.4
135.04416	12.3
136.07579	1.0
137.05959	0.4
138.05551	0.3
145.02847	9.9
145.04942	2.4
150.22975	0.3
163.03902	100.0
164.04147	0.5
166.08646	1.2
171.14867	0.4
183.11392	0.4
196.09819	0.4
201.12354	0.9
229.11894	1.4
232.09622	0.6
235.12627	0.3
281.11380	0.8
325.09210	0.6
394.14200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52662	1.0
53.03960	1.0
54.77135	0.9
55.05511	6.3
56.96557	2.3
57.07066	3.8
57.28950	0.9
59.74817	1.1
64.84142	1.0
65.03931	1.2
67.05518	8.8
69.07076	16.5
70.84470	2.5
71.08630	1.9
79.02486	1.2
79.05492	7.4
81.06592	2.1
81.07064	34.0
82.87579	1.0
83.08627	8.1
87.82860	1.0
91.05476	7.2
93.06497	1.2
93.07057	17.8
95.08615	55.8
97.10179	4.0
98.21513	1.1
98.97589	4.6
105.07043	17.9
107.08607	24.8
109.10164	23.2
109.43681	0.9
111.11749	1.6
116.98627	1.3
117.07012	2.4
119.08597	24.7
121.10158	21.2
123.11710	12.2
129.07008	2.7
131.08575	6.7
133.10139	15.7
135.11681	9.9
137.13275	15.6
143.08595	6.5
145.10144	12.5
147.11696	14.3
149.13274	33.0
157.10139	3.5
158.11053	1.3
159.11723	11.9
161.13246	10.0
163.14835	20.7
171.11732	4.6
172.12422	1.2
173.13263	8.1
175.13316	1.7
175.14844	35.6
175.16306	2.3
177.16434	14.1
179.17970	1.4
183.11702	1.2
185.13304	3.3
187.14844	20.6
189.16389	11.8
191.17934	8.6
197.13332	1.3
199.14864	6.8
201.16402	9.9
203.17966	28.7
205.19508	2.2
213.16376	20.8
215.17981	19.5
217.19597	5.4
227.17949	6.9
229.19649	5.8
231.21147	5.8
236.50917	1.2
241.19537	14.5
242.20163	1.2
243.21094	9.9
255.21097	16.1
257.22638	4.1
269.22577	6.9
297.25696	1.9
323.27155	1.7
393.35184	100.0
394.35400	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84010	0.4
53.03941	0.6
53.04186	0.4
55.01874	0.7
57.03420	0.7
61.02919	1.1
68.05033	0.8
69.03439	2.8
69.07078	0.8
70.03971	1.1
70.06593	3.6
71.05004	0.5
72.08150	2.5
73.02923	0.9
79.05449	0.5
79.35200	0.4
81.03403	1.5
84.08141	0.6
85.02909	9.2
86.09711	5.6
89.03921	4.4
90.50032	0.4
96.04516	0.9
97.02903	2.7
107.04937	1.7
109.02853	1.2
117.03377	6.6
120.08088	1.8
127.03909	1.8
135.03406	0.8
135.04416	12.0
145.02853	8.9
145.03911	0.4
145.04967	1.5
163.03911	100.0
164.04243	0.8
175.64638	0.4
177.05530	0.7
185.16525	2.0
187.78700	0.5
213.15976	1.6
232.09677	11.5
232.11890	0.8
241.18225	0.4
394.14713	0.7
394.24899	0.5
395.09323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.05026	1.9
57.03432	0.9
60.04513	1.2
61.02894	0.6
62.94478	0.5
63.02349	0.5
69.03432	5.0
69.07066	0.9
70.06596	21.3
71.04991	0.8
71.06922	1.1
71.18652	0.5
71.51352	0.9
72.08161	10.3
74.06075	2.3
79.05496	1.3
81.03426	1.4
83.06127	0.6
84.04514	4.4
84.08150	9.1
85.02914	8.4
86.06051	0.8
86.09708	8.8
87.04461	1.5
87.05588	2.2
87.10032	0.7
88.03996	1.3
89.03912	5.0
91.05491	2.6
95.04984	0.7
96.04489	0.6
97.02898	4.1
98.06045	0.5
98.97589	1.0
101.07142	0.6
102.05549	1.6
104.05298	0.8
107.04956	2.2
109.02888	1.6
110.06033	0.6
110.07174	4.5
112.08734	1.3
115.03933	0.6
115.27826	0.6
116.07063	1.6
116.98582	0.9
117.03383	8.7
119.04939	1.1
120.08081	3.8
121.06457	0.8
121.08497	0.8
124.07723	0.6
127.03919	2.1
129.10249	5.0
130.10666	0.7
131.04906	0.6
132.21574	0.5
133.06117	1.5
135.04416	13.6
136.07559	1.1
137.05946	1.7
145.02856	14.8
145.05035	2.3
146.06004	2.5
147.04419	3.5
149.05981	0.5
151.03854	0.6
151.07513	1.1
159.09262	0.7
163.03909	100.0
164.04236	1.2
164.07158	3.1
167.07022	1.0
173.09212	0.6
177.05481	6.1
179.07088	0.7
179.10703	0.7
188.07089	0.9
191.05777	0.9
202.25110	0.6
203.10365	1.0
218.11404	2.8
219.01793	0.8
232.09676	11.9
232.11880	1.1
236.82817	0.6
237.02736	0.7
247.14462	1.2
256.07169	1.1
262.56079	0.5
273.12387	0.6
394.14606	3.2
394.20227	0.6
395.13214	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.05517	39.7
57.07082	21.4
57.19852	0.8
66.81597	0.8
67.05502	8.4
69.07076	32.3
71.08640	5.7
71.39032	2.0
79.05515	8.6
81.07064	40.6
83.08626	100.0
84.87148	0.8
85.10210	1.7
91.05474	7.8
92.52599	1.1
93.07053	8.8
95.08620	11.5
97.10183	11.2
105.07040	11.6
105.49727	0.9
107.08604	10.6
109.10163	7.6
111.11755	1.1
117.07009	3.0
119.08587	5.2
121.10127	4.4
123.11703	3.7
129.07014	3.0
130.44934	1.0
131.08569	6.4
133.10141	7.6
135.11703	3.0
137.13274	1.1
139.14769	2.2
142.07805	3.0
143.08551	3.8
145.10135	11.2
147.11702	6.3
149.13283	1.7
157.10136	14.9
159.11716	11.4
161.13266	2.3
163.14815	2.0
169.10165	1.2
171.11713	3.1
173.13252	3.0
175.14861	1.5
175.24957	1.0
179.15459	0.9
183.11667	1.4
185.13304	4.7
187.14903	1.5
191.17767	1.1
192.33032	0.9
197.13307	2.4
199.14838	3.2
201.16380	3.1
203.17943	1.1
211.14865	3.8
213.16342	2.0
215.17982	2.5
222.18124	1.0
225.16502	1.6
227.18048	1.7
229.19556	1.3
239.17946	4.7
253.19620	5.1
255.21019	1.0
281.22754	1.1
286.63928	0.9
295.24197	8.0
309.25732	5.7
326.18924	1.0
327.30884	1.0
376.25946	2.6
393.30786	1.5
393.35193	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.05517	5.4
57.07064	2.7
65.03932	0.8
67.05508	9.8
69.07072	11.9
69.85062	1.5
69.85471	2.4
71.08631	0.9
79.05494	5.2
81.07063	23.9
83.08620	3.6
85.23965	0.7
91.05482	7.4
93.07050	14.9
95.05000	0.7
95.08612	40.5
97.10167	2.7
98.97609	4.7
105.07039	17.7
107.08603	22.2
109.10168	19.8
111.11745	0.9
116.98617	1.7
117.07028	2.5
119.08592	22.8
121.10150	17.9
123.11705	8.3
129.06992	2.2
131.08578	5.6
133.10144	16.7
135.11696	10.1
137.13258	11.0
141.01860	0.8
143.08585	3.9
145.10152	12.1
147.11685	16.4
149.12070	0.7
149.13260	15.3
151.14844	0.9
156.09369	1.3
157.10130	2.5
158.04500	2.0
158.99680	1.4
159.11688	11.2
161.13275	9.8
163.14830	11.1
171.11699	4.1
173.13252	7.1
175.14836	28.8
176.15189	0.8
177.00746	1.2
177.16393	6.9
179.18141	0.8
183.11656	1.1
185.13289	2.6
187.14833	19.3
189.16394	13.4
191.17952	7.1
197.13287	2.0
199.14815	2.5
201.16389	8.7
203.17966	29.8
205.19553	2.2
212.15538	1.7
213.16397	10.8
215.17984	10.0
217.19562	3.0
219.21158	1.2
227.17960	4.2
229.19539	2.9
231.21121	4.0
241.19547	5.8
243.21112	5.6
255.21097	7.7
257.22653	2.0
269.22659	3.7
283.24277	1.2
297.26004	0.8
323.27548	1.7
323.58826	0.7
333.42828	0.7
337.29181	0.8
342.01346	0.7
350.29584	0.8
360.68860	1.4
361.19006	1.6
372.19788	1.2
376.26016	1.5
393.35175	100.0
394.35510	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.8
55.05509	5.6
57.07061	2.1
67.05511	8.8
69.07072	12.6
69.14053	8.5
70.06600	0.9
70.95675	0.8
71.08636	1.1
79.05492	4.8
81.07055	30.0
83.08628	5.1
91.05470	7.0
93.07039	13.2
95.04955	0.9
95.08610	45.2
96.77998	0.9
97.10169	3.4
98.97594	2.0
105.07030	15.8
107.08598	21.0
109.10159	19.9
109.10927	1.0
111.11710	1.9
116.98584	1.0
117.07023	2.7
119.08588	21.9
121.10148	18.2
123.11713	11.5
129.06992	2.3
131.08563	7.1
133.10146	13.0
135.11697	9.5
137.13252	11.8
143.08565	4.0
144.09274	1.0
145.10135	13.6
147.11679	12.6
149.13251	27.6
151.14853	1.1
156.09184	0.7
157.10101	4.0
158.89557	0.8
159.11696	22.1
161.13260	7.4
163.14822	16.8
170.07132	0.7
171.11650	4.8
173.13252	10.0
175.14824	22.7
177.16376	13.3
179.17972	0.9
183.11905	0.8
185.13255	3.6
187.14835	21.3
187.16504	1.8
189.16391	10.3
190.98534	0.9
191.17915	5.8
196.45903	0.8
199.14801	4.9
201.16373	10.7
203.17966	22.1
203.19798	1.7
205.19547	1.2
213.16367	17.4
215.17970	17.8
217.19505	5.9
219.21072	1.2
227.18060	5.0
229.19518	7.4
231.21114	4.2
241.19508	14.1
243.21082	9.9
245.22643	1.7
255.21103	14.7
257.22653	1.8
269.22635	6.0
281.22647	0.8
283.24271	1.7
295.24393	1.1
297.25757	1.4
323.27301	2.4
337.29147	1.1
372.34830	0.9
393.35172	100.0
394.35596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89335	1.0
53.03941	1.7
55.05511	6.3
57.07061	4.1
64.88768	1.2
65.05650	1.0
65.75060	1.0
67.05502	11.1
69.07069	15.8
69.76659	6.9
71.08645	1.6
79.05480	4.9
81.07059	37.2
83.07780	1.1
83.08620	6.4
91.05476	5.1
93.07037	16.5
95.08610	52.6
97.10169	4.5
98.21408	2.2
105.07025	17.7
107.08594	23.0
109.10159	23.2
117.06997	3.5
119.08583	21.0
121.10158	19.4
123.11723	12.9
129.07025	2.9
131.08597	7.9
133.10126	15.6
135.11696	10.7
137.13260	14.4
143.08545	5.2
145.10114	16.2
147.11691	12.6
149.13255	23.8
157.10146	3.5
159.11697	23.6
161.13268	11.5
163.13463	1.9
163.14824	20.7
171.11690	4.1
173.13258	11.0
175.14822	24.7
177.16396	15.2
179.18097	1.4
185.13261	3.6
187.14809	22.3
189.16379	11.7
191.17906	8.1
199.14836	4.9
201.16364	12.8
201.55792	1.2
203.17958	25.1
205.19498	2.7
213.16376	16.2
215.17964	18.3
217.19452	8.4
227.17967	5.4
229.19556	5.3
231.21068	4.0
241.19516	12.3
243.21111	10.3
255.21074	16.3
257.22610	4.4
269.22626	7.8
283.24274	1.9
297.25803	2.0
309.25592	1.7
393.35156	100.0
394.35413	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77467	3.5
53.03941	6.5
55.05508	21.4
55.05742	3.6
57.07079	27.2
59.04953	3.7
61.36878	4.2
67.05511	47.2
69.07071	29.2
70.75772	3.5
71.04984	3.6
71.08621	17.3
79.05491	48.4
81.07064	74.7
83.04992	4.2
83.08622	19.4
85.06561	7.8
85.10180	11.0
86.11874	3.8
91.05483	65.7
93.07046	86.7
95.04970	52.8
95.08059	7.1
95.08611	78.1
97.06537	11.8
98.98476	35.8
103.05479	6.3
105.07037	92.6
107.08588	50.3
109.06506	17.0
109.10169	45.1
111.08085	5.0
115.05440	5.7
117.07047	28.4
119.08583	100.0
121.06501	22.3
121.10172	40.0
123.08061	12.3
123.11703	17.0
128.06183	7.6
129.07001	16.9
130.07784	7.8
131.08562	47.5
133.10126	52.1
135.08022	9.1
135.11697	27.1
136.11984	4.8
141.07010	7.2
142.07788	25.3
143.08559	36.7
144.09311	10.9
145.06540	4.4
145.10126	75.1
147.11705	25.6
149.09593	5.4
149.13252	6.8
154.07779	7.3
155.01039	58.9
155.08560	14.2
156.09386	11.3
157.10123	61.1
158.10927	9.4
159.08038	7.5
159.11690	56.5
161.09607	15.2
161.13246	9.8
163.11182	4.8
165.07104	5.3
167.08571	11.1
169.10123	24.2
170.10861	6.2
171.11681	32.1
173.13252	25.8
175.11226	11.5
175.14827	18.1
179.08487	6.5
181.10115	11.7
182.10838	5.2
183.11763	20.4
185.13210	13.9
187.11214	4.7
187.14801	17.5
193.10175	5.2
194.10980	4.5
195.11774	11.8
196.12544	5.2
197.13257	15.3
199.11174	8.8
199.14853	9.5
201.16231	9.5
207.11690	10.6
209.13239	17.5
211.14828	12.1
213.16338	7.3
219.17390	4.7
223.14854	9.6
225.16335	7.0
235.14735	4.8
239.23669	7.1
241.19629	7.2
253.15819	5.5
302.67120	4.2
375.26669	4.6
393.27426	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	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.05508	8.1
56.96568	9.7
57.07070	5.7
62.83363	0.9
64.15929	0.9
67.05177	1.4
67.05506	14.3
69.07075	16.7
69.42553	7.2
79.05492	8.1
80.61291	0.9
81.07059	40.1
83.08613	6.6
84.96024	1.1
91.05457	5.8
93.07042	19.8
95.08610	58.0
97.10167	4.6
98.97580	7.9
105.07034	20.5
107.08598	24.8
109.10160	26.3
110.97584	2.5
111.11697	2.6
116.48660	1.0
116.98614	2.2
117.06990	3.2
119.08587	25.6
121.10147	20.8
123.11714	16.5
129.07068	1.4
131.08580	9.9
132.98123	1.1
133.09219	1.8
133.10139	14.3
135.11693	12.4
137.13266	15.7
142.07774	1.2
143.08589	6.2
144.09380	1.2
145.10118	17.3
147.11708	11.2
149.13275	23.7
150.99254	1.4
151.14825	1.9
154.49103	1.2
157.10135	5.1
158.10799	1.1
159.11700	18.9
161.13243	8.9
163.13486	1.5
163.14822	19.3
170.99753	1.2
171.11681	7.3
173.13290	10.3
175.14832	25.7
176.05247	1.0
177.16399	18.1
185.13318	4.1
187.14825	21.5
189.00710	1.2
189.16380	11.9
190.98537	1.5
191.17946	6.2
197.13336	1.4
199.14815	6.4
201.16359	10.6
203.17957	25.0
203.19768	1.6
205.19534	1.7
212.15601	1.3
213.16383	18.4
215.17981	18.9
217.19521	9.5
227.17957	7.8
228.01669	1.0
229.07526	2.6
229.19510	5.9
230.07816	2.2
231.21176	3.5
241.19582	11.1
243.21133	10.4
247.08568	1.3
248.08765	1.3
252.08951	1.4
255.21089	17.6
257.22549	1.9
269.22623	7.2
281.22653	1.4
283.24152	1.1
297.25781	1.4
323.27444	2.9
352.18863	3.2
370.19714	5.8
376.25916	1.4
393.21490	2.5
393.35190	100.0
394.35587	1.8
411.01178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28009	0.6
55.05507	1.4
56.96569	0.9
67.05505	1.3
69.07072	0.9
71.37598	1.0
71.37932	0.8
79.05461	0.6
81.07054	2.3
81.09486	0.6
84.96053	0.7
91.78994	0.6
93.07040	1.7
95.08608	1.6
98.97551	0.7
105.07029	1.1
107.08576	1.2
109.10168	1.9
117.07059	0.6
119.08559	0.9
131.08629	0.9
143.08582	0.7
145.10179	0.9
161.13211	0.8
232.55287	0.7
333.17545	1.5
376.25943	0.8
393.26154	100.0
393.35059	2.8
394.26422	2.1
398.75787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
67.05512	0.6
69.07074	0.4
69.61771	2.4
69.62129	0.3
71.08607	0.5
72.78712	0.4
79.05470	0.5
81.07059	1.1
83.08611	0.5
87.96922	0.4
91.05456	0.4
93.07063	0.5
95.08610	0.9
98.21519	0.5
98.98473	0.8
105.06997	0.5
109.10208	0.4
121.10086	0.4
155.01076	1.0
333.17590	0.7
351.18210	0.7
356.90970	0.4
393.26129	100.0
394.26492	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	1.1
56.96557	2.0
57.07076	1.6
67.05485	2.1
69.07053	2.2
69.35783	5.0
79.05482	1.8
81.07060	4.6
83.08616	0.8
91.05468	1.5
93.07043	3.2
95.08618	7.3
98.97565	2.3
105.07041	3.4
107.08609	3.8
109.10165	2.5
116.98682	1.2
119.08604	3.0
121.10150	2.8
123.11752	1.1
128.98700	0.9
129.30528	0.7
131.08606	1.1
133.10139	1.4
135.11697	1.5
137.13237	1.1
145.10146	2.6
147.11690	1.3
149.13268	3.5
156.44319	0.8
159.11694	2.0
163.14833	1.7
167.39241	0.8
171.11748	1.3
175.14856	2.1
177.16382	1.5
183.11714	0.8
185.13275	0.7
187.14879	1.9
189.16437	1.2
201.16425	1.5
202.90242	0.8
203.17966	1.8
213.16385	1.8
215.17938	2.2
241.19646	0.9
243.21080	1.1
255.21121	1.4
315.16458	1.0
333.17328	1.7
352.18808	1.5
370.19943	1.6
393.26120	100.0
393.34384	13.0
394.26410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76838	0.5
55.05506	0.8
56.96555	2.1
57.07076	0.6
62.63399	0.5
67.05492	1.2
69.07064	0.5
69.81780	2.3
69.92098	0.5
79.05477	0.7
81.07049	2.1
91.05493	0.9
93.07067	1.3
95.08614	3.2
98.97579	0.6
105.07029	1.7
107.08588	1.8
109.10142	1.3
119.08540	1.2
121.10131	1.4
123.11732	1.0
128.98598	0.8
131.08542	0.8
133.10144	1.0
135.11693	1.1
137.13260	0.9
140.96269	0.5
143.08525	0.9
145.10219	0.5
147.11711	0.7
149.13258	1.3
153.10034	0.5
159.11726	1.0
161.13257	0.5
163.14848	1.1
175.14781	1.4
175.16258	0.5
187.14886	0.9
201.16307	0.7
203.18085	1.1
213.16426	1.0
215.17870	0.7
255.21149	0.6
269.22681	0.5
315.16339	2.9
333.17291	4.7
348.22552	0.5
351.18600	1.0
352.18625	0.8
356.18890	1.3
370.19946	0.7
393.26129	100.0
393.35107	4.8
394.26590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33840	0.9
55.05500	1.3
67.05502	2.5
69.07072	3.3
69.47527	2.4
69.47923	7.1
71.04990	1.0
72.90950	1.1
78.90333	1.1
79.05535	1.0
81.07063	4.4
83.08624	2.1
89.27936	1.1
91.05500	2.2
93.07057	1.6
95.08617	3.4
105.03383	1.9
105.07052	1.7
107.08617	2.5
108.70785	1.0
109.10162	9.5
115.09056	1.3
119.08598	2.1
123.11755	1.2
127.11211	16.7
137.36856	1.3
140.79678	1.3
147.11681	1.6
149.13338	1.2
154.05711	1.0
159.11725	1.5
167.48547	1.1
173.13275	1.1
197.46103	1.1
232.07460	1.8
393.26175	100.0
394.26608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.9
56.96559	9.8
67.05503	5.2
69.07083	3.0
70.06593	3.0
70.31103	7.9
79.05477	6.3
80.37159	2.4
81.07068	12.9
84.08131	2.5
85.02917	4.3
86.09719	3.5
91.05467	8.3
93.07050	11.4
95.08628	16.2
98.97592	5.3
104.02296	2.1
105.07047	12.2
107.08583	12.3
109.10134	5.3
110.58580	2.0
116.98594	3.8
119.08586	21.6
121.10134	7.6
123.11723	2.8
133.10081	7.6
135.11705	9.1
137.05956	4.1
143.08566	3.4
145.10112	6.3
147.11694	4.8
149.13179	2.4
157.10127	4.2
159.11664	8.7
161.09578	3.5
161.13292	5.1
163.03828	3.4
167.03954	2.5
173.13301	3.9
175.14832	6.5
177.16357	2.3
187.14804	5.5
189.16426	9.3
191.85339	2.3
203.17941	5.4
213.16458	3.6
215.17982	2.8
217.15907	21.5
248.07367	4.8
271.08209	2.7
275.24576	2.3
304.13403	5.3
308.94559	2.4
331.19595	3.0
360.69025	2.6
363.06094	2.5
375.18497	8.1
393.11093	13.0
393.20169	100.0
393.35193	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.1
55.89153	0.5
57.03444	4.7
57.07079	30.7
58.95290	0.5
67.05508	10.9
67.68301	0.5
69.07076	6.9
69.74745	2.4
71.05000	0.5
71.08636	23.0
79.05479	0.7
81.06590	1.0
81.07061	15.8
83.08162	0.8
83.08623	10.4
85.10188	12.5
93.07073	0.5
95.08610	21.5
97.10169	5.8
98.20864	0.7
98.98472	55.2
99.11752	1.2
100.81420	0.5
107.08607	0.5
109.09476	0.8
109.10160	11.1
111.11713	1.5
116.99506	0.6
123.11720	5.5
125.13291	1.6
137.13272	2.7
140.01070	0.8
145.10005	0.5
151.14893	1.1
155.01048	100.0
196.03682	1.0
202.12563	0.4
221.22606	0.9
239.23717	10.7
393.24115	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15784	0.6
55.05496	1.7
56.96561	2.1
57.07082	5.4
58.07404	1.2
67.05500	1.3
69.07061	1.6
69.16201	0.5
69.38668	1.4
69.39077	3.1
73.43921	0.5
79.05489	1.4
81.07059	4.0
83.08621	0.9
84.96005	0.9
91.05479	1.4
93.07050	2.1
95.08613	5.5
98.21523	0.6
98.97582	2.9
105.07023	1.8
107.08605	2.3
109.10157	2.3
116.98618	1.3
119.08587	1.8
121.10141	2.4
123.11691	1.4
131.08551	1.1
133.10101	1.5
135.11661	1.4
137.13274	1.2
145.10143	0.6
147.11642	1.0
149.13245	1.1
159.11703	1.7
163.14838	1.4
164.53947	0.6
170.99657	0.8
171.11748	0.6
173.13304	1.1
175.14861	1.7
177.16391	0.9
178.05914	0.8
179.06186	0.7
185.13286	0.6
187.14839	1.7
189.16476	1.2
190.98526	0.8
191.17982	0.6
201.16461	1.2
203.17964	1.8
207.11275	0.7
213.16397	0.8
215.17979	1.3
217.19475	0.7
228.78542	0.6
229.19550	0.8
241.19545	0.9
243.21062	1.0
255.21100	0.9
269.22855	0.9
309.19989	2.7
375.24612	2.9
393.26126	100.0
393.35077	8.4
394.26468	2.1
400.71756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.9
56.96569	21.4
57.07070	1.9
64.90395	2.1
67.05500	6.1
67.63637	1.9
69.07075	5.3
79.05484	3.9
81.07053	11.5
87.90094	2.1
91.05504	3.8
93.07042	5.6
95.08602	15.6
98.97592	3.8
105.07053	6.4
107.08591	9.5
109.10119	4.8
110.97582	6.9
111.07792	1.8
119.08595	6.8
121.10156	5.9
123.11712	3.2
128.98625	7.4
131.08533	3.6
133.10136	5.4
133.86882	2.1
135.11693	5.9
143.08670	2.4
145.10153	6.4
146.99666	3.2
147.11729	3.6
149.13286	3.0
150.02574	2.2
156.09395	2.0
157.10129	4.0
159.11734	5.2
161.13272	2.2
163.14833	3.0
173.13188	2.7
175.14848	2.4
187.14842	5.2
191.17987	3.1
197.13243	2.3
201.16342	4.0
203.18024	3.6
213.16443	3.2
228.13669	1.9
229.19585	2.3
235.38329	1.9
243.21094	2.9
310.60660	2.1
315.16351	38.3
333.17374	72.0
333.21378	3.8
351.18378	12.0
352.18546	2.9
356.19089	12.1
370.19736	2.1
374.20007	4.2
378.81677	2.1
393.26154	100.0
393.30283	3.7
393.34900	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
55.05508	1.9
56.05030	1.4
56.96563	0.8
61.40391	0.7
63.72226	0.7
67.05493	1.3
68.75917	0.7
69.03415	1.4
69.07067	1.6
70.06595	12.8
71.04996	1.4
71.52350	0.9
72.08154	7.2
79.05463	1.7
81.03416	1.5
81.07025	1.4
83.04959	0.7
84.04494	1.9
84.07719	0.7
84.08157	11.1
85.02895	2.2
85.08447	0.9
85.33662	0.6
86.09711	10.0
91.05473	2.5
93.07031	1.7
95.04980	0.8
95.08593	1.5
97.02872	1.0
98.97586	1.8
102.05521	0.7
103.05495	1.1
105.07037	4.0
107.08590	1.3
110.07146	1.5
112.08745	0.8
115.08667	1.7
116.07088	1.6
117.06982	1.1
119.04916	1.0
120.08134	10.4
121.10138	1.2
129.10239	5.4
130.04990	0.7
130.06537	0.7
130.10565	0.9
133.06477	1.4
133.10132	1.3
135.11708	1.2
136.07527	1.0
136.33662	0.7
137.05959	3.1
145.10002	0.7
149.05959	0.9
151.07533	0.9
153.05484	1.0
159.11720	1.0
161.01523	1.0
161.05994	1.8
161.09605	0.8
163.03815	1.5
167.06998	2.1
173.13254	1.1
177.05412	1.6
183.06505	0.8
185.04234	1.7
191.06956	1.7
192.07652	1.3
193.08650	1.0
197.11754	0.9
197.32671	0.7
201.05438	0.7
201.12378	1.6
219.08250	0.9
219.28011	0.7
223.10841	1.2
237.02895	0.9
271.04150	1.0
307.11374	1.7
325.11224	0.8
329.11319	0.9
330.98303	0.8
339.25153	1.0
349.12567	26.7
361.13846	1.6
393.11487	100.0
393.18759	32.0
394.11884	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	4.2
56.96571	12.9
60.04511	2.0
60.05627	1.9
65.14951	2.0
69.03430	3.7
69.42181	11.4
70.06598	34.4
71.04984	2.9
72.08141	8.2
74.06086	4.0
79.36195	1.9
81.03427	2.1
84.04503	3.9
84.08156	11.8
84.96040	5.0
85.02904	7.1
86.09705	6.6
87.04477	3.5
91.05491	3.3
95.06059	2.0
97.02883	5.1
98.97589	44.8
110.07156	4.7
110.97579	9.7
112.08733	5.1
113.07146	2.2
115.08627	2.6
116.07018	1.9
116.98637	16.0
120.08120	4.7
128.98613	10.3
129.10249	4.7
131.00159	1.9
134.99637	2.8
136.07597	3.8
140.98602	4.2
143.00172	7.5
144.98128	3.1
152.98618	7.3
158.99678	7.5
161.01207	4.3
163.03870	3.4
170.99661	10.9
173.09206	2.9
175.11806	2.0
177.00697	5.9
180.07689	1.7
188.14766	2.2
189.00726	5.0
192.03384	5.0
201.00835	3.2
210.04347	7.1
219.01817	15.3
220.02844	2.0
237.02887	23.3
238.03839	13.3
254.08049	2.7
256.04984	8.7
261.06522	8.0
261.09003	2.1
279.07535	60.7
294.07446	3.1
297.08572	7.3
302.09241	2.4
329.21298	1.7
340.08160	6.8
357.07898	2.6
375.08853	5.3
388.68500	1.8
393.10910	100.0
393.22083	17.1
394.11316	3.3
411.11670	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	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95039	0.4
56.05009	0.6
61.01122	0.6
65.03909	0.6
67.05473	0.5
68.05032	1.1
69.03409	1.3
69.07059	0.6
69.83665	1.7
70.06590	5.8
70.38275	0.5
71.06910	0.7
72.08154	5.8
79.05513	0.5
81.03381	0.5
84.04488	1.1
84.08135	1.3
85.02901	3.5
86.09715	4.0
88.03950	0.5
90.31586	0.5
90.34832	0.5
97.02906	0.9
98.20785	0.5
98.97581	0.4
104.05330	0.9
107.04971	0.6
107.08601	0.6
109.02843	0.9
109.10170	0.6
112.99084	0.5
114.53869	0.5
115.08670	0.6
116.07089	0.6
120.08100	4.7
124.05054	0.6
127.03909	0.6
129.10222	0.8
130.04985	1.0
136.07561	1.2
137.05937	1.7
138.05475	0.5
140.03432	1.1
145.04991	0.9
149.04620	0.9
151.03850	1.0
163.03918	1.0
165.07698	0.5
166.07373	0.8
166.08630	2.0
166.89041	0.5
171.06584	0.9
172.06055	1.2
188.03369	1.0
188.65166	0.6
201.06456	1.3
202.07256	1.9
203.08012	1.9
204.08795	6.4
215.08028	1.6
216.08803	100.0
217.09563	3.1
218.10339	5.6
223.10774	1.0
225.06464	8.7
226.07158	3.1
227.08067	0.8
228.08698	0.7
229.09572	0.7
229.15552	0.7
230.10356	9.3
230.15779	0.6
240.08797	55.1
241.09462	1.9
242.06534	0.6
246.09880	7.1
251.13901	1.0
255.09856	0.8
258.09900	2.2
268.08340	4.7
272.11426	4.3
283.09448	1.4
286.09174	0.5
293.55374	0.6
300.10904	54.8
301.10971	0.7
311.08777	0.7
315.11877	0.8
333.13181	2.9
341.11554	0.5
343.11523	1.8
361.12494	5.6
375.14182	5.6
393.15164	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	392.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	80.5
57.78633	1.4
67.05514	1.4
71.37891	1.4
71.45470	2.0
71.95261	3.9
74.97608	10.0
78.97495	1.4
81.03423	1.7
81.07041	4.0
83.26393	1.2
84.96041	22.8
86.97594	6.3
93.07044	4.9
95.05008	2.1
95.08607	5.7
97.99176	2.3
98.97585	100.0
102.97066	3.1
105.07035	3.5
107.08620	2.3
108.65505	1.8
109.10173	2.1
110.97562	17.5
112.99136	3.6
114.97068	5.1
116.98621	40.8
119.08593	7.5
120.33364	1.2
121.10147	3.1
124.95515	1.4
124.99132	2.0
126.97041	7.3
128.98596	16.2
131.00197	4.8
131.08540	2.8
132.98108	13.4
133.10173	1.8
134.99686	10.8
135.11670	2.6
140.00203	7.1
140.98611	4.9
142.96490	3.9
143.00148	4.7
144.98058	8.1
145.01718	2.5
145.10071	1.5
146.99623	7.1
148.97644	1.7
149.01176	2.3
149.02335	2.2
150.99152	24.8
152.98581	7.9
155.00140	3.3
156.98087	4.9
158.99707	9.3
159.11714	2.4
160.97499	6.3
161.01244	3.8
161.13232	2.3
162.99133	9.5
165.00748	1.7
168.98152	4.1
169.00221	7.9
170.99672	16.7
172.97682	3.3
173.01311	3.8
174.00760	3.6
174.99095	8.3
177.00705	8.8
178.98648	6.1
182.15434	1.5
182.99718	1.4
185.01236	2.1
186.99104	11.8
187.14883	1.6
189.00700	14.1
189.16415	3.9
190.98642	21.0
193.00166	6.2
194.01308	2.6
198.00758	1.5
198.99089	1.2
199.14769	1.6
200.02361	2.0
200.97029	1.9
201.00682	3.2
202.98630	2.8
205.00249	10.9
206.98094	2.4
207.01793	3.2
208.99715	7.6
210.99167	2.2
212.02296	2.1
213.16319	2.1
214.00233	4.4
214.98647	6.0
217.00262	6.8
217.15883	6.5
218.98068	9.2
219.01686	1.7
220.99677	2.0
223.01268	1.6
228.01721	3.0
229.00150	8.1
230.98038	1.4
232.99693	16.8
234.97466	2.1
235.01260	1.7
236.99213	5.4
244.99675	4.2
247.01286	5.5
248.99190	2.2
251.00745	5.9
258.97726	1.8
260.99176	4.1
263.00778	5.4
272.99161	2.3
276.98834	7.2
285.68060	1.4
291.00204	6.9
296.00900	1.6
299.60629	1.5
303.00494	1.7
309.01257	4.4
321.01373	2.7
349.00937	1.8
367.01776	2.3
374.98700	3.7
392.99780	22.7
393.18655	1.3
393.31100	3.2
393.35239	3.8
411.00763	15.7
416.01468	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	392.2546
Annotation	Ile Phe Leu
Peak:m/z	Relative Intensity
55.05512	0.7
69.03433	0.6
69.07068	6.3
69.33767	1.4
69.34190	3.6
70.06600	7.3
72.08147	2.2
79.05444	0.7
81.03413	0.5
84.04517	1.3
84.08147	4.3
85.02918	1.3
86.09708	100.0
86.70792	0.5
87.10036	0.8
91.05460	1.1
93.07047	0.9
98.97575	0.9
102.48009	0.5
103.05483	2.0
110.07156	1.4
120.08111	70.6
127.03922	0.6
128.98578	0.6
129.10271	2.1
132.10208	1.8
136.07530	0.8
138.06763	0.6
145.02882	0.8
149.02364	1.8
150.02670	0.9
151.03897	0.7
152.68094	0.5
163.03932	1.3
166.08665	1.5
167.07069	1.3
177.05528	1.7
192.01172	0.5
199.18068	13.6
224.97549	0.6
227.17584	6.5
233.16502	30.0
237.02783	0.6
261.16013	13.9
279.17050	11.9
308.77396	0.6
392.25256	1.0
393.18909	0.9
406.28726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.316
Annotation	Palmitoyl dopamine
Peak:m/z	Relative Intensity
53.18615	0.2
55.05505	0.7
57.07078	5.4
65.03929	0.6
67.05509	1.6
67.96487	0.2
69.07067	1.0
71.08639	2.9
76.96020	0.2
79.05517	0.4
81.07064	2.2
83.08607	0.8
85.10184	1.5
90.82846	0.1
91.05487	14.0
91.12952	0.1
95.08611	2.5
97.10146	0.3
98.98489	0.4
109.06511	1.0
109.10178	1.1
119.04949	10.1
123.04404	0.2
123.11758	0.2
137.05984	100.0
138.06319	0.9
149.39517	0.2
154.08638	39.6
155.01060	0.5
155.08916	0.3
239.23717	0.4
256.26321	0.4
354.97833	0.2
375.28604	0.2
392.31616	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	392.316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82605	0.4
55.05513	1.6
57.07082	2.8
65.86606	0.3
67.05505	7.3
69.07074	2.7
69.76018	1.7
69.76426	1.0
71.08634	3.0
79.05504	5.6
81.07063	8.2
83.08623	1.5
86.09708	100.0
88.11253	0.9
91.05490	2.7
91.78639	0.4
93.07048	6.6
95.08054	0.8
95.08609	6.8
98.98462	3.2
105.07043	2.4
107.08602	3.7
109.10156	3.1
113.09613	0.5
117.07030	1.0
119.08580	1.9
121.10146	4.5
123.11691	1.4
131.08542	2.3
132.10207	62.1
133.10152	1.3
135.11682	2.8
138.83823	0.4
141.00911	0.4
145.10114	1.6
147.11674	1.0
149.02402	1.0
149.13258	1.4
155.01067	6.4
159.11681	1.1
161.13261	1.2
163.14815	1.8
173.13237	1.1
177.16359	1.4
187.14774	0.6
233.22682	0.5
239.23692	0.6
243.21091	2.8
261.22147	6.6
311.60623	0.4
346.31064	4.5
392.31628	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	391.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
53.40480	0.7
55.05493	1.9
56.96532	0.5
57.07058	1.9
67.05511	3.1
69.07078	2.9
69.07368	0.7
71.08619	1.5
79.05473	1.9
81.07059	5.9
83.08602	0.8
91.05462	3.2
93.07056	4.0
95.08609	7.6
97.10174	1.1
98.20533	1.1
105.07027	5.5
107.08591	4.5
109.10150	3.4
113.00912	0.6
117.07017	0.9
119.01925	0.7
119.08602	5.1
121.10151	5.3
121.31081	0.6
123.11687	1.7
129.07022	1.3
130.07777	2.0
131.08580	26.5
132.02055	0.8
133.10129	3.6
135.11688	3.1
135.14270	0.6
137.13225	1.1
143.08582	3.4
144.09346	1.2
145.10132	33.3
147.11685	2.3
149.02357	11.3
149.13232	2.4
155.01799	0.8
155.08530	0.7
157.10123	5.4
158.10970	0.7
159.11708	24.9
161.13235	1.9
163.14816	1.9
167.03363	1.1
169.10130	1.8
171.11668	2.4
172.12448	3.4
173.02904	1.0
173.13260	10.4
174.03093	1.4
175.14795	1.1
177.16365	1.0
183.11592	1.0
185.13280	1.6
187.14830	53.1
188.15092	1.1
189.16403	1.5
191.17953	8.5
199.14824	2.2
201.16396	100.0
202.16658	1.7
203.17995	1.2
209.13248	0.7
211.14919	0.9
213.16423	2.1
217.19487	4.5
218.30513	0.7
225.16396	0.9
239.18021	1.1
240.85335	0.6
241.19560	1.4
248.03275	1.3
252.10303	1.1
253.19551	2.4
267.21240	1.0
281.22653	0.9
290.04141	0.9
295.24216	1.8
334.62122	0.6
335.27768	0.5
384.63400	0.6
391.33664	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84846	0.9
51.00147	1.0
53.03932	2.5
55.01868	1.3
55.05509	2.1
56.96573	1.2
57.03416	2.5
57.07078	6.3
61.02914	5.7
61.93517	1.0
67.05502	5.1
69.03436	7.7
69.07075	7.7
70.06590	6.3
71.04978	2.6
71.08649	1.5
71.52295	1.6
72.08150	3.4
73.02848	1.2
79.05494	28.1
81.03409	2.7
81.07057	6.4
83.04978	8.4
84.08133	3.4
84.93657	1.0
85.02448	2.1
85.02911	29.8
86.09705	66.3
91.03926	1.7
91.05466	6.5
93.06489	2.3
93.07045	30.2
95.04964	1.7
95.08590	2.2
97.02908	6.0
97.06522	6.2
97.49589	1.0
98.97594	2.2
99.04492	1.0
99.62778	1.1
103.05445	1.3
103.14052	1.2
105.07018	3.7
107.04949	5.0
107.08601	11.0
109.02859	2.7
109.06509	1.7
114.54446	1.2
117.06976	2.1
118.06547	1.2
119.04923	1.5
119.08589	2.2
119.28531	1.0
120.08110	39.2
121.06482	3.8
121.10135	1.5
125.05995	16.8
127.03889	6.0
129.10211	1.5
131.08517	1.4
133.10107	10.0
135.08061	1.7
135.11693	94.6
137.05933	1.8
139.07559	13.6
145.04951	4.7
146.06052	1.8
149.02332	2.5
149.05981	2.1
149.13306	6.7
151.03943	1.8
153.09091	2.4
153.12729	4.4
159.11687	4.4
161.05959	1.6
162.05475	7.1
163.06267	2.5
166.08646	2.6
167.06886	1.8
170.06071	1.9
173.05957	3.1
175.07593	1.6
177.12770	16.6
178.08684	1.4
180.08751	1.6
187.07448	1.9
188.07094	2.4
195.13814	100.0
199.18047	15.1
202.08580	1.7
208.06041	3.5
213.14822	1.6
227.17484	6.8
233.16476	14.4
261.15942	6.4
279.17068	4.0
287.07458	1.6
346.19971	1.6
347.17798	2.4
392.11432	1.3
392.20581	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	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	1.1
57.07063	0.7
66.13449	0.3
71.08617	0.7
71.33681	0.5
73.68260	0.3
81.07050	1.2
83.08607	0.5
93.07027	0.5
95.08601	1.1
98.97555	0.3
105.07063	0.4
107.08613	0.5
119.08615	0.4
123.11697	0.4
145.10094	0.4
149.02371	5.8
154.90605	0.3
159.11765	0.4
164.32048	0.3
177.00577	0.4
184.21570	0.3
187.14803	0.4
222.09012	0.3
329.32391	0.5
332.16385	0.4
350.17072	1.9
351.18552	0.3
355.18909	0.3
368.18338	2.2
373.12045	0.4
391.24564	100.0
392.24799	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81928	0.4
56.83824	0.4
57.07071	0.6
64.66853	0.3
69.69735	1.6
71.08630	0.4
81.07069	0.9
91.05455	0.4
92.05836	0.4
93.07056	0.5
95.08607	0.8
98.21532	0.5
105.07025	0.6
107.08585	0.4
119.08626	0.5
139.76299	0.3
149.02357	4.7
157.10097	0.5
166.91891	0.4
167.03320	0.9
189.16307	0.4
270.36133	0.4
280.30042	0.4
350.17200	0.5
368.95657	0.4
370.34003	0.4
391.24551	100.0
392.24942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	20.4
56.96560	1.7
57.03428	2.1
57.07066	2.7
58.06600	8.4
60.04526	9.7
60.08170	1.6
64.56510	1.0
67.04230	2.9
67.05483	1.3
68.05029	1.6
69.03432	2.4
69.07054	3.3
70.06592	13.0
70.66868	0.9
71.08624	3.3
71.51041	1.8
72.04539	6.2
72.08157	15.9
74.06084	66.3
79.05508	1.1
81.07041	1.3
82.06559	1.8
84.04510	24.8
84.08163	10.0
85.02898	3.0
85.04034	1.4
86.06066	3.9
86.09708	81.3
87.05589	3.5
87.10023	2.4
88.03990	3.0
91.05482	1.8
95.06078	2.0
97.02921	1.2
98.09693	2.5
98.97602	2.6
100.07616	1.2
101.07152	28.1
102.05559	5.1
104.05360	1.9
104.69228	1.1
110.02757	2.0
110.07182	2.2
116.98705	1.9
117.06620	1.9
120.08087	1.5
124.11224	2.8
125.01695	5.3
126.12833	1.8
127.03960	1.4
127.05025	1.7
129.10289	5.5
130.05003	7.8
132.10201	4.7
135.04379	1.2
136.05212	2.0
137.06003	3.9
138.09186	1.0
141.06586	1.2
141.10188	1.2
142.12291	8.8
143.11784	9.0
145.06134	2.8
147.07695	7.8
148.06061	1.2
149.02336	17.4
152.10678	1.2
156.10139	1.2
157.06114	1.4
159.07666	12.0
159.11293	1.7
164.07138	1.2
167.03415	2.1
169.06148	1.2
169.13333	4.2
173.05606	1.7
173.12892	1.9
174.11279	7.1
175.71675	1.0
177.08719	49.1
185.02921	1.3
187.07144	3.7
187.14429	100.0
189.12399	1.4
201.12352	2.6
215.13924	33.1
217.13744	2.7
219.13394	1.4
227.03773	4.9
237.02831	1.3
242.07715	2.3
244.06418	7.3
244.09058	2.0
247.12907	2.3
254.14970	1.6
258.14560	1.0
260.08771	3.8
261.09061	28.7
268.16705	0.9
272.16110	5.7
278.11691	2.3
286.13339	1.0
288.04550	5.0
288.11938	2.4
290.17123	1.6
312.15518	2.4
316.18808	5.6
346.97330	1.0
347.11722	8.7
373.13855	1.6
373.20953	15.3
391.11612	1.2
391.15305	10.0
391.19644	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2117
Annotation	Pregomisin
Peak:m/z	Relative Intensity
53.10610	0.5
55.05499	1.9
56.51141	0.5
56.96566	1.2
57.07096	1.0
67.05508	3.9
69.07055	2.4
69.42274	4.1
70.06590	1.0
71.08626	1.2
72.75046	0.6
79.05486	2.2
81.07059	8.3
83.08597	1.7
86.77563	0.5
89.03921	5.8
91.05452	3.0
93.07050	4.1
95.08607	8.7
97.06516	0.6
98.20837	1.3
98.97590	2.2
99.08054	0.7
105.07028	3.9
107.08563	1.7
109.10171	1.3
116.98647	0.9
117.03384	18.9
117.07045	0.7
119.08589	4.4
120.31721	0.6
121.10138	1.9
123.08131	0.7
130.85504	0.6
131.08600	0.8
133.10117	2.5
134.03603	1.4
135.11713	2.0
137.13274	1.4
143.08508	0.7
145.02849	41.0
145.10094	0.9
146.03165	0.7
147.11707	0.6
149.02356	8.5
149.05971	7.3
158.99657	0.7
159.11697	0.7
161.13263	4.5
167.03442	1.4
169.10175	0.7
177.05475	100.0
179.14278	1.8
186.05507	1.9
195.06587	1.3
241.11264	1.0
259.12210	0.7
285.29794	0.9
322.89847	0.7
329.32370	1.8
336.17654	1.0
359.17993	1.2
369.19565	1.2
391.24344	1.5
391.29199	0.6
391.33817	2.0
391.36057	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47034	0.6
55.01865	1.4
55.05500	1.7
55.90876	0.6
56.05029	3.7
56.96541	0.8
57.07080	1.4
60.04527	0.8
60.56960	0.6
61.01131	1.1
67.05481	0.8
69.03428	2.9
69.07062	3.5
69.52618	4.1
70.06596	28.0
71.01353	0.7
71.04984	0.9
71.06921	0.9
71.08608	1.0
72.08163	7.2
73.60109	0.6
74.06049	1.8
79.05464	1.2
81.03422	1.1
81.07046	0.8
83.06103	5.7
84.04506	14.9
84.08145	12.3
85.02898	5.3
86.09709	35.7
88.03998	1.4
91.05490	2.1
93.07031	0.9
95.04945	1.6
95.08604	1.1
96.04477	0.9
97.02897	1.9
98.06055	0.8
98.21402	1.1
98.97561	1.7
101.07149	2.2
102.05547	3.7
103.05464	2.6
104.05316	3.7
105.07014	1.9
106.07333	1.4
107.04961	2.0
107.08587	0.9
108.05261	0.7
109.02884	1.1
110.07173	5.5
111.04439	0.7
112.08731	0.9
115.08685	1.1
116.07086	3.5
117.03339	0.7
118.06531	1.0
119.04921	1.7
120.08115	9.8
121.02837	1.2
121.06503	1.5
123.04413	1.0
123.08093	0.7
124.03964	0.7
125.05939	1.2
125.09668	1.4
127.03902	1.2
128.98601	0.7
129.06596	1.9
129.10246	6.7
130.04976	1.5
130.06526	2.0
130.08615	0.7
131.04906	1.3
131.11812	3.6
132.04439	1.9
132.08060	1.5
132.10170	0.6
133.03143	1.2
133.06465	2.4
134.06842	2.0
135.04398	0.9
136.07573	2.1
137.05962	6.3
141.06587	2.5
141.10226	1.1
143.03397	1.3
143.10663	1.8
144.08093	1.6
145.02751	0.8
145.05070	0.6
146.05992	4.1
147.04442	1.5
147.07655	1.8
149.02344	10.3
149.05998	1.6
150.05817	5.1
151.02760	1.0
151.03917	10.8
151.05002	0.9
151.07593	0.8
152.10722	0.8
153.05489	1.6
155.01886	0.6
156.07651	0.7
159.07785	1.1
159.09158	3.5
161.06000	3.9
162.06303	2.4
163.03926	2.8
163.07567	1.8
167.07007	1.8
167.08194	1.5
169.09781	0.7
170.06004	1.1
173.09236	1.5
175.07462	0.9
176.07841	0.7
177.05461	2.2
178.06181	0.9
181.04965	1.9
181.06400	0.7
187.07173	1.4
187.14404	0.8
188.07068	8.6
191.07016	1.6
193.08618	1.9
193.15930	0.7
194.08954	2.6
195.06505	0.8
196.14478	2.8
197.12836	2.5
205.09718	3.4
212.09940	0.6
213.08833	1.3
214.15544	1.8
219.01772	1.1
221.08167	0.8
224.13864	1.1
225.12431	1.9
237.02969	0.9
242.14999	7.0
244.10802	4.0
244.13087	1.7
245.12898	0.9
253.08562	0.7
259.35355	0.7
260.10684	2.3
261.09024	1.4
278.11728	1.6
313.10397	0.7
325.51581	0.7
361.13370	1.1
373.13110	1.4
373.18900	2.0
391.15707	100.0
391.19464	3.9
392.15961	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39023	0.4
54.30663	0.4
55.01859	0.4
55.05495	0.6
56.05025	1.3
57.03427	0.4
57.07072	0.4
58.04867	0.4
58.66391	0.4
60.04515	0.7
61.01136	0.8
61.02929	0.4
67.05487	0.4
69.03426	1.7
69.07060	0.8
70.02940	0.5
70.06596	12.9
71.04984	0.4
71.08626	1.0
71.51858	0.5
72.08162	4.4
74.06079	1.0
79.05499	0.5
81.03413	1.0
83.06094	0.6
84.04040	0.6
84.04502	4.6
84.08138	8.0
85.02916	3.0
86.09706	6.5
87.04469	0.8
87.10014	0.5
88.03993	0.5
91.05497	1.2
93.07039	0.6
95.04998	0.5
97.02887	1.8
98.97578	0.8
101.07135	0.6
102.05532	1.6
103.05454	0.7
104.05350	1.1
106.05003	0.5
107.04924	1.2
109.02847	0.7
110.07158	2.3
115.08704	0.9
116.07104	2.2
118.06865	1.3
119.04898	0.6
119.08553	0.4
120.07257	0.6
120.08109	11.8
121.02845	0.7
121.06522	0.5
125.06023	0.7
126.09145	0.6
127.03912	0.8
129.10243	5.5
130.05028	0.5
130.06525	2.1
132.08086	1.7
133.02905	0.6
135.04408	0.6
135.08058	0.6
136.07570	1.7
137.05972	2.1
143.03447	3.1
144.06551	0.6
145.02730	0.4
145.04991	0.9
147.04472	0.5
147.07660	1.7
148.06071	0.6
149.02333	6.5
149.05972	0.9
150.05766	0.5
151.03922	1.8
153.05473	1.1
155.01924	0.4
159.02982	0.4
159.07922	0.5
159.09200	2.7
161.05971	0.9
161.09271	0.5
163.03889	1.4
163.07524	0.5
164.07056	0.5
165.09012	0.9
165.10280	2.0
166.06267	0.5
166.09485	1.2
167.03426	0.7
167.07039	4.9
168.07556	1.2
169.08179	0.6
170.06052	0.6
177.05489	1.8
180.70425	0.4
181.04973	1.3
181.08612	0.6
183.11266	0.5
187.08600	0.5
188.07045	1.1
193.04996	0.5
193.08582	0.6
194.08899	0.6
197.12746	0.5
203.04214	0.4
207.06491	0.5
211.09644	0.6
212.10088	0.6
226.11832	1.0
228.09764	0.5
234.04742	0.4
242.08038	0.4
244.13091	0.8
246.14441	0.5
258.16083	1.3
270.12198	0.5
274.12326	0.4
276.13437	2.7
288.09985	0.7
289.79150	0.5
298.11768	0.9
347.11469	0.4
361.00635	0.5
361.13834	0.5
373.18784	0.6
391.15729	100.0
392.15897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1388
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
53.03939	2.4
55.01870	3.1
55.05502	3.4
56.05029	6.0
57.07060	3.5
59.68061	1.4
60.04510	4.3
61.01137	1.7
65.03931	5.0
67.05492	4.2
69.03420	4.4
69.07073	3.1
69.55116	4.3
69.55521	4.3
70.06595	32.9
71.01341	5.7
71.08627	4.6
72.08154	32.0
74.06065	5.2
79.05499	8.2
81.03424	2.1
83.06084	2.9
84.04507	13.9
84.08147	48.3
85.02897	6.0
86.09706	16.6
87.10024	2.4
88.03983	3.8
91.05476	12.1
93.07027	2.7
94.04169	1.9
95.04955	6.8
95.06069	3.8
97.02879	5.2
97.06511	1.5
98.06079	2.2
98.21531	2.7
98.97569	3.0
99.04459	1.9
101.95580	1.5
102.05526	5.6
103.05447	3.8
104.05314	3.4
105.07074	2.5
107.04945	11.8
108.02066	2.2
109.02850	1.5
110.03624	1.6
110.07172	8.7
111.04444	4.1
115.05471	1.8
115.08665	1.9
116.07058	7.8
118.04158	2.6
119.04935	5.3
120.08104	11.9
121.06509	7.6
122.03648	4.0
123.04436	5.3
125.01675	2.7
125.06003	6.7
127.03947	2.4
129.10234	25.3
130.05020	2.9
130.06519	4.6
130.08652	2.6
131.04906	2.4
132.08067	6.1
133.02835	6.0
133.06400	1.9
135.04381	13.4
136.07545	4.0
137.05981	82.7
141.05423	2.4
144.06529	1.9
144.08093	1.7
145.02835	2.0
146.03587	2.8
147.04382	7.6
149.02348	26.7
149.05984	16.0
150.06740	5.1
151.03909	100.0
151.05003	7.9
153.05466	7.9
155.11800	1.7
157.07611	2.4
159.09207	10.1
159.11227	6.9
161.05995	13.4
161.84312	1.5
163.03874	11.3
163.07587	2.1
165.05501	7.2
166.06351	1.6
167.03395	3.6
167.07053	8.6
170.06030	4.8
171.07671	1.6
175.06172	2.1
175.07486	6.6
177.05453	11.4
178.06261	22.6
178.66238	1.5
179.06976	4.3
181.04961	4.5
187.08638	3.2
187.10788	2.4
188.04672	1.6
189.05435	3.3
195.06512	27.0
196.07295	16.3
203.06969	11.2
203.08612	1.5
205.11847	5.3
217.13515	1.9
221.08055	13.8
227.08151	1.8
230.13847	4.0
231.06395	1.5
239.29739	1.7
240.10150	5.1
244.10710	1.7
244.12978	2.2
245.12956	2.4
249.07562	1.8
256.95813	1.4
263.14014	1.9
270.14581	1.8
283.09705	3.0
288.04175	2.2
307.16357	1.9
325.10767	3.4
341.10226	4.7
343.11722	4.6
347.11603	3.4
355.18506	2.6
361.12817	1.8
373.13120	3.2
374.13330	4.3
390.62436	4.7
391.14240	1.8
391.19958	1.6
391.23846	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	391.1024
Annotation	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
55.01865	0.3
68.99789	0.7
70.56209	0.7
70.56558	0.5
71.08617	0.3
82.35141	0.3
83.01346	0.4
85.02905	1.1
91.05479	0.6
99.04417	0.5
110.16035	0.3
113.02386	2.1
119.04932	1.3
121.02897	0.3
123.00745	0.4
127.03926	1.3
133.02875	1.3
135.04379	0.4
138.03166	0.4
139.03902	0.3
147.04440	2.0
149.02353	3.4
150.03130	2.1
153.01859	1.5
153.05501	0.4
154.99722	0.9
155.03394	0.4
161.06042	0.4
162.03116	0.9
163.03900	6.8
164.04695	3.2
164.93678	0.3
165.05460	0.8
166.02678	0.4
167.03395	0.5
169.01337	7.7
177.05434	2.1
178.06171	0.7
179.07082	2.0
181.01291	0.5
182.99297	1.2
183.02913	3.1
183.06586	0.4
184.00020	0.5
188.04724	0.5
189.05417	0.3
190.02762	0.5
191.03426	0.7
192.04158	0.4
195.02908	0.5
197.00813	8.8
198.01584	0.8
199.02371	0.9
201.00327	0.9
208.03629	0.4
209.00768	0.5
211.02354	1.2
212.03181	2.8
213.03920	3.1
213.05522	0.4
215.01854	3.9
215.03566	0.2
216.02492	0.6
216.04274	0.6
217.04976	0.7
219.02890	0.5
223.05995	1.3
227.03293	0.6
230.04279	0.4
231.40886	0.4
241.05009	0.7
243.02924	0.3
244.03677	1.0
245.04390	0.6
247.02397	0.6
251.05545	0.4
255.02930	0.4
259.06000	0.7
262.04694	0.6
269.04440	0.6
272.03174	0.6
273.03918	1.4
275.01981	0.6
283.02484	0.5
287.05621	0.9
290.04333	0.6
297.04028	0.9
298.04721	0.5
299.05530	0.6
300.02682	1.9
301.03479	2.5
303.08551	0.4
305.06604	0.3
312.02594	0.9
312.06079	0.5
315.04953	2.9
316.06033	0.7
317.02972	0.8
318.03784	1.6
322.04913	0.7
325.03448	0.9
326.04193	0.6
327.04929	1.3
328.02130	1.9
329.02954	1.2
330.03778	1.7
331.00897	0.5
331.08096	1.1
333.06128	3.7
340.05795	0.8
343.04480	6.0
343.08350	0.5
344.05344	0.6
345.06070	4.1
346.03220	1.9
358.06793	5.8
359.07486	0.6
361.05536	34.5
362.05945	0.5
373.37796	0.3
375.06741	0.5
376.07916	8.1
391.10229	100.0
392.10635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1026
Annotation	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
53.00305	0.3
53.67710	0.4
55.01865	0.6
68.94260	0.4
68.99805	0.7
71.01350	0.9
71.28421	0.8
75.07742	0.4
79.05473	0.4
85.02914	1.3
85.90694	0.4
94.62341	0.4
95.08614	0.5
99.00826	1.5
99.04459	0.9
105.07014	0.4
106.69061	0.4
107.04980	0.9
109.10126	0.5
113.02369	2.9
127.03924	1.6
131.04973	0.6
133.02835	0.5
141.01814	0.6
147.04407	0.9
148.05194	0.7
149.02362	3.2
150.03181	0.5
151.07550	0.7
153.46352	0.4
154.99771	5.3
161.05994	1.7
162.06676	0.5
163.03917	5.0
164.04697	6.9
165.05527	0.9
169.01340	11.8
171.11703	0.4
178.06265	10.9
179.06990	2.7
180.00545	1.7
182.97620	0.8
182.99265	14.4
183.02869	3.5
197.00832	16.1
198.01604	9.1
198.03291	0.7
201.00319	8.8
202.00998	0.5
211.02414	1.0
212.03146	2.8
213.03886	2.7
215.01888	5.8
216.02661	6.5
230.04076	0.5
245.04453	0.5
255.02887	0.4
255.06586	0.7
255.87534	0.4
269.04419	0.7
273.03958	0.8
287.05768	0.4
288.06345	0.5
294.05188	1.1
297.03787	0.6
300.02710	1.2
301.03473	1.2
315.05032	2.5
316.05832	1.1
322.04700	0.6
325.03525	0.8
326.04150	0.4
329.02936	0.9
331.08142	1.6
333.06110	0.6
340.05853	1.8
343.04535	7.6
358.06818	3.1
361.05539	16.2
375.07306	0.4
376.07968	5.8
391.10257	100.0
392.10690	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3003
Annotation	NAGABA
Peak:m/z	Relative Intensity
52.00666	0.2
55.05280	0.2
55.05514	2.9
57.07064	0.8
65.03932	0.6
67.05508	2.6
69.07073	3.5
69.38806	1.4
71.08608	0.4
79.05509	1.4
81.07060	3.7
83.08621	2.5
91.05484	14.7
93.07051	1.7
95.08614	2.6
97.06545	0.3
97.10156	1.0
98.98469	0.3
99.56306	0.2
107.08583	0.9
109.06544	1.1
109.10190	0.9
111.18809	0.2
116.33797	0.2
119.04952	8.9
121.10155	1.6
123.11766	0.3
135.11688	0.8
137.05981	100.0
138.06322	0.6
145.67923	0.2
149.13237	0.5
154.08635	37.6
180.06567	0.2
219.21034	0.3
221.77446	0.2
237.22252	0.2
373.27350	0.3
390.30029	17.7
391.30432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37530	0.9
55.05521	5.0
55.77989	0.8
57.07064	3.5
67.05499	3.9
69.07072	5.4
70.07691	0.8
70.57294	1.2
70.57640	1.9
71.08640	2.6
79.05489	3.6
81.07063	4.8
83.08640	4.4
86.09684	1.0
91.05492	13.5
93.07053	3.3
95.08608	4.2
97.10164	1.5
104.77042	0.8
106.06547	2.3
107.04968	6.6
107.08594	1.4
109.10149	2.1
119.04963	7.9
119.08495	0.9
121.10162	1.4
127.93294	0.8
134.05981	2.3
135.04414	8.1
135.11700	1.5
137.05986	100.0
152.07079	54.1
154.08647	29.2
167.46660	0.9
171.56967	0.9
184.07330	2.2
199.89636	0.8
219.21140	1.1
272.66644	0.9
293.73419	1.0
390.23260	2.6
390.30066	50.2
391.30011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	5.4
58.06593	1.6
61.51840	0.4
68.05030	0.4
68.29702	0.3
69.07075	0.5
69.53484	1.2
69.53910	1.2
70.06596	17.1
71.08624	2.4
72.08165	1.9
84.08131	1.7
85.10183	1.1
86.09720	2.6
88.07637	9.6
89.06017	0.7
94.51109	0.4
101.00916	1.9
102.09181	4.3
113.00883	1.8
114.09140	0.7
115.02441	0.7
119.01940	2.5
131.01929	4.4
132.10220	6.9
133.03447	0.8
137.05972	0.6
143.01884	1.6
143.35857	0.4
146.11768	6.3
146.71454	0.4
155.01884	5.8
157.03442	0.6
161.03073	2.0
173.02977	12.1
174.03185	0.9
175.00919	0.5
191.04063	0.5
196.04576	1.6
199.00859	0.5
215.04034	1.8
217.01997	1.5
229.01987	4.5
233.05055	1.0
240.26865	1.4
247.03070	7.5
265.04230	0.5
266.28473	1.1
270.04608	1.3
284.29495	18.1
289.04053	6.0
307.05023	0.8
328.32104	30.1
329.32095	0.6
367.07245	1.1
372.34802	1.5
390.35803	100.0
391.24673	1.9
391.36206	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26696	1.1
53.03941	1.2
53.27689	1.0
55.01862	2.2
55.05518	1.6
56.05043	2.2
57.03424	1.5
60.04521	1.4
61.02921	2.7
69.03436	5.3
69.07083	2.0
70.06591	23.1
70.29327	0.9
72.08161	12.6
73.08487	1.7
74.06074	1.7
79.05502	6.4
81.03417	3.1
83.06116	2.1
84.04510	7.1
84.08138	12.7
85.02911	17.8
86.09705	19.1
87.04424	1.3
87.05558	1.5
87.10029	2.2
91.03957	1.6
91.05484	7.8
93.07044	1.5
95.04954	1.4
97.02899	7.1
98.97556	2.7
99.04457	1.1
101.07155	1.6
102.05530	3.1
103.05463	7.0
105.07037	46.8
107.04961	14.7
109.02869	2.6
109.06515	1.8
110.07178	4.8
110.97552	1.7
112.11228	1.3
113.07122	1.7
115.05469	9.4
116.07088	4.1
118.04175	3.4
119.04951	5.8
120.08097	6.5
121.06503	2.9
123.04485	1.0
127.03910	3.2
129.06598	1.3
129.10237	6.7
130.05016	1.1
130.06476	1.5
130.10519	1.0
131.04910	3.4
132.10202	2.0
132.41794	0.9
133.06503	54.7
134.03618	1.5
135.04399	1.7
136.07602	1.3
137.05981	3.8
143.05020	1.8
143.06067	4.2
145.04956	3.7
146.06021	1.5
147.04404	1.7
147.08047	5.5
149.05981	2.9
151.03899	1.6
151.07509	4.0
153.05479	1.7
156.07671	1.5
159.09192	2.2
161.05989	100.0
162.06447	1.4
163.03934	5.7
167.07036	1.7
168.07797	3.3
175.07536	6.1
179.07054	2.0
180.08670	2.8
188.07094	1.9
193.08621	78.5
196.07382	2.3
205.09749	2.5
210.02158	1.9
210.15645	1.0
211.09659	16.6
237.02951	1.5
304.38388	1.1
339.50607	1.2
390.18146	1.7
391.15674	9.2
407.12228	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01851	2.3
55.05504	4.9
56.05047	6.6
56.07380	1.3
60.04519	3.9
60.88385	1.2
61.02918	2.6
68.05047	1.4
68.63062	1.5
69.03432	7.3
69.07076	3.2
69.83556	2.9
69.83948	7.1
70.02954	1.6
70.06590	40.4
71.06931	3.7
72.08156	30.2
73.08488	3.4
74.06094	5.4
79.05513	1.8
80.83128	1.6
81.03412	3.4
82.06590	1.6
83.06107	3.5
84.04050	2.2
84.04510	22.3
84.08144	30.6
85.02906	25.2
86.09226	2.7
86.09709	39.5
87.05563	1.9
87.10033	6.5
88.03997	3.8
91.05489	7.3
93.04546	1.5
93.07067	1.9
95.05005	1.8
95.08589	1.8
97.02911	7.1
98.97566	3.4
101.07133	3.4
102.05558	8.6
103.05467	2.8
105.07032	15.6
107.04957	11.8
109.02873	4.0
109.10222	1.6
110.07175	13.5
111.09175	1.6
112.08741	1.9
112.11225	2.5
115.05421	2.8
115.08687	2.2
116.07082	8.0
117.03374	1.6
119.04941	5.0
119.08582	1.8
120.08090	10.0
123.04443	2.0
124.03904	1.6
127.03909	4.4
129.06534	2.4
129.10243	15.0
130.06548	4.4
132.04465	2.7
132.08075	3.7
132.10228	4.1
133.06499	23.9
135.04453	2.3
136.07571	5.2
137.06006	11.0
137.09601	5.6
141.06572	2.8
141.10245	1.4
143.11769	2.5
144.08101	3.0
145.02817	2.7
145.04962	4.7
146.06030	5.1
147.04456	1.6
147.08041	4.4
148.06065	3.8
149.06001	1.8
150.05896	2.1
151.03938	3.2
151.07542	4.2
153.05525	1.8
156.07700	3.4
159.08040	1.6
159.09215	9.3
161.05981	34.3
162.05450	2.3
163.03934	11.5
163.07668	1.5
164.04333	2.8
164.09291	3.2
165.09120	100.0
167.07025	3.1
168.07808	1.4
169.07610	3.8
171.09174	1.4
173.12880	1.7
175.06204	1.4
175.07532	8.8
177.05463	3.9
180.08719	2.7
183.11267	2.2
188.07089	4.9
189.12383	3.2
193.08609	51.5
196.14471	2.6
197.12912	1.7
201.12341	1.9
208.06052	2.5
211.09676	39.5
211.62596	1.4
215.13916	2.1
219.01839	1.9
220.09628	1.9
228.04858	2.0
243.13287	1.8
244.10788	3.7
265.07471	1.5
273.13379	4.0
277.05084	1.8
308.09128	3.2
309.07541	4.5
326.10217	2.2
354.09668	3.2
372.10883	10.6
390.09677	2.3
390.13715	8.3
390.18384	4.7
391.15717	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	390.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01866	1.6
55.05510	2.8
55.62783	1.2
56.05027	3.2
59.60635	1.0
59.63310	1.0
60.04526	1.5
64.67945	1.1
65.03933	2.9
67.05495	1.5
68.04997	1.4
69.03446	2.1
69.07065	2.4
70.06210	1.4
70.06595	23.9
71.52525	1.2
72.08154	8.5
74.06086	1.7
81.07061	1.7
83.06100	1.6
84.04498	3.5
84.08146	21.1
85.02908	3.8
85.08493	1.7
86.09708	20.9
88.04001	1.5
91.05487	26.1
95.04987	1.8
97.02888	2.6
98.97583	2.5
100.11240	2.1
102.05560	1.7
103.05445	2.8
105.03356	1.7
105.07030	2.3
107.04975	1.6
110.07169	5.4
112.08733	1.4
115.05441	2.0
116.07066	1.9
117.03392	2.1
119.04945	37.4
119.08620	1.8
120.08126	8.7
128.32671	1.1
129.10225	10.6
130.06487	1.4
131.04945	3.0
133.10135	2.2
135.04407	1.7
135.11743	1.5
136.07605	2.8
137.05969	5.9
145.02837	4.7
146.06038	1.5
147.03259	1.8
147.04414	32.8
147.06223	1.4
149.02272	1.9
149.05988	1.7
151.03893	2.9
151.07436	1.4
152.04161	1.6
157.03979	3.6
157.13329	2.7
159.09135	1.7
160.05199	2.9
163.03934	3.2
167.07016	2.3
175.03917	58.8
175.07513	10.3
175.14798	2.0
177.05490	8.3
178.05916	1.7
179.07059	2.4
181.04922	1.3
185.12717	1.1
188.07086	2.5
189.07405	2.9
207.06532	100.0
218.08130	14.7
287.57117	1.2
313.10632	1.6
323.09131	1.2
331.08246	2.1
341.10330	3.0
372.14612	9.5
380.57031	1.4
389.81174	1.5
390.14142	2.3
390.30853	1.6
391.11450	1.9
392.33105	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.5
56.05042	2.7
56.96564	2.1
60.53896	1.3
65.03944	2.2
67.43815	1.2
69.03436	2.5
69.07074	2.8
70.06593	20.3
71.06931	2.1
71.51970	2.8
71.52634	1.4
72.08154	6.4
74.06078	1.2
77.55466	1.5
79.05510	1.7
84.04513	5.0
84.08147	17.4
85.02901	4.6
85.08508	2.2
86.09707	17.7
91.05484	26.7
97.02897	2.3
98.97628	2.7
103.05461	2.4
105.03417	1.6
110.07173	4.2
115.05414	1.7
117.03433	2.6
119.04953	40.1
119.08553	1.7
120.08131	7.8
121.06497	1.7
129.10249	9.7
131.04945	2.7
132.10178	2.1
133.10121	2.7
134.49533	1.4
135.04399	2.5
136.07579	3.2
137.06017	6.7
143.04883	2.9
145.02869	5.1
147.03256	2.9
147.04424	35.8
149.05984	1.7
151.03914	1.8
157.04010	4.0
158.13719	1.6
160.05316	1.7
163.03856	2.5
167.06982	2.2
175.03914	63.1
175.07494	9.0
177.05493	7.2
179.07060	2.5
181.04979	1.8
189.07417	1.6
207.06548	100.0
218.08109	16.8
219.01830	1.8
252.07980	1.4
322.31061	1.7
372.14566	12.8
373.12708	1.8
389.81750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.23
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43358	0.6
67.05499	1.6
79.05489	0.8
81.07030	0.9
94.73183	0.7
95.08585	1.1
98.20594	1.2
98.97581	0.7
105.06985	0.8
119.01899	1.2
123.08072	0.7
125.09621	0.8
126.00481	0.8
137.05881	0.7
173.13409	0.7
175.00919	0.7
389.22986	100.0
390.23230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	1.1
57.03439	1.1
58.99586	9.2
68.05026	3.0
70.59374	2.2
71.01343	1.9
71.13537	0.9
78.00071	1.0
78.76083	0.9
80.05007	1.6
81.07064	2.0
82.02947	0.9
84.08165	0.9
84.35976	0.8
85.01138	2.7
85.02452	1.0
85.02915	11.2
86.09715	0.9
86.99055	4.5
87.29993	0.9
94.02892	0.8
95.01324	3.4
95.08615	1.2
96.04471	1.8
97.01092	0.8
97.02884	0.9
98.00664	0.9
98.97575	1.7
105.00095	3.7
105.07022	0.9
112.02194	32.9
113.02368	4.6
113.98120	0.8
126.98479	0.9
137.05995	2.6
140.00616	1.6
140.01654	21.4
141.01793	6.1
152.01648	1.0
158.02730	4.9
168.01149	100.0
169.01389	3.6
173.03030	1.0
186.02200	15.5
187.02397	1.0
214.01697	88.7
215.02206	1.3
372.03748	1.2
390.04922	7.4
403.78342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2171
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01854	1.6
55.05511	5.0
57.03440	1.5
57.07060	1.1
59.05001	1.1
67.05490	2.2
69.03407	3.6
69.07053	3.3
69.82487	4.4
70.06571	1.9
71.04971	1.3
72.08144	1.7
76.02225	1.3
79.05464	3.4
81.03377	1.4
81.07056	4.7
83.01331	5.2
83.04955	3.9
83.08620	1.7
84.04501	1.2
84.08118	1.3
85.02899	7.5
85.06522	2.4
86.09713	8.8
91.05476	1.9
93.07043	5.9
95.04952	1.3
95.08590	4.2
97.02883	2.6
97.06516	3.6
99.04438	2.1
99.07507	1.2
99.08098	14.7
101.06019	5.2
101.35491	0.8
105.07017	3.6
107.04916	0.9
107.08591	9.1
109.06505	2.2
109.10184	5.1
111.08055	2.9
119.08578	1.4
121.09343	1.2
121.10143	16.4
123.11670	1.5
125.05996	1.1
125.09651	6.3
127.03902	1.2
131.08542	2.5
133.10127	11.3
135.08069	4.7
135.11703	2.1
137.09590	5.2
137.13239	0.9
139.07492	3.3
139.11137	3.1
145.04939	1.4
145.10136	1.0
149.09630	18.4
149.13237	5.4
151.11185	6.9
153.09093	3.6
158.10889	1.7
163.03870	0.9
163.14795	5.0
166.41936	0.8
167.07106	0.9
173.13211	6.8
179.04831	1.8
181.15875	3.1
191.14323	14.5
209.15367	100.0
210.15665	1.3
211.13252	1.6
227.12302	1.0
227.16382	13.1
295.11520	2.1
371.12579	1.6
389.14023	36.7
389.17853	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	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.01883	2.2
55.05503	7.2
56.05027	2.8
57.07084	2.1
60.04518	3.8
67.05492	3.6
69.03416	12.9
69.07068	10.5
69.79498	10.3
70.06593	21.4
71.04984	2.0
72.08163	10.8
74.06076	3.9
79.05507	5.0
81.07050	4.4
81.07560	1.8
83.04985	3.8
83.08604	4.6
84.04510	3.1
84.08135	5.7
85.02907	4.8
85.06555	13.4
86.09711	100.0
86.10244	4.8
91.05479	6.4
93.07060	9.9
95.04964	5.3
95.08602	5.7
97.06563	3.2
97.10164	5.8
98.20771	3.7
99.08090	6.8
103.05465	14.6
105.07031	5.2
107.04935	2.5
107.08588	16.2
109.06498	2.2
109.10173	5.6
110.07092	2.2
111.08098	4.4
116.07079	2.4
119.08575	5.3
120.08130	3.6
121.06499	4.3
121.10143	10.9
123.08099	2.2
123.11728	2.4
125.06046	2.9
125.09634	37.8
127.03876	2.2
129.10237	4.7
131.04938	28.8
131.08578	8.2
133.10106	5.6
135.08040	5.0
135.11678	2.2
137.06050	2.6
137.09593	2.4
139.07539	2.8
139.11162	1.9
143.11797	9.9
145.10150	5.8
147.11737	3.9
149.09621	50.1
149.13281	3.3
151.11162	10.5
153.09140	12.7
154.09882	1.9
157.09715	4.4
163.03915	2.1
163.07518	13.0
163.11189	5.2
163.14824	5.9
166.78189	1.8
167.07040	2.2
167.10681	3.7
171.11278	4.5
173.12881	12.1
185.09117	2.7
189.12396	11.9
191.10699	8.7
191.14345	26.5
201.12369	7.6
209.08215	1.8
209.12024	12.9
209.15372	94.7
219.13370	7.7
227.12907	10.5
227.16423	7.5
232.75400	1.9
232.92288	1.9
233.06412	1.9
242.19769	1.9
374.70050	2.3
389.13797	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	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
50.57312	1.0
53.03954	1.1
57.03432	2.4
60.04528	1.1
61.02922	2.2
63.89425	1.1
67.05489	4.3
69.03423	6.3
69.07074	10.3
70.06586	3.9
70.19575	4.2
71.04991	6.2
72.08167	7.2
74.06077	2.9
75.05603	1.3
79.05489	2.0
81.03423	2.0
81.07053	5.7
83.04968	1.3
84.04539	1.2
84.08158	1.3
85.02908	14.0
85.06533	4.8
86.09714	100.0
91.05470	3.2
93.07082	8.5
95.04980	47.5
95.08608	4.4
97.02874	4.2
97.06535	6.0
99.04469	15.4
99.08098	6.4
105.07046	7.9
107.08610	13.8
109.02901	2.3
109.06507	3.5
109.10169	22.6
111.08085	1.6
115.07560	3.3
119.08588	4.5
121.10163	7.2
123.08038	1.5
123.11729	10.9
125.09612	7.3
127.03902	2.3
127.07562	2.9
131.04916	1.7
131.08624	7.2
133.10144	45.4
135.08052	3.1
137.06004	2.7
139.11180	2.7
143.11807	8.6
145.10126	2.9
147.04411	1.2
147.11707	1.3
149.09599	5.8
149.13278	4.2
151.11215	11.2
153.09119	25.3
158.10931	2.0
159.07657	1.5
163.03912	1.7
163.07562	1.7
163.14847	2.0
166.74173	1.1
167.07069	1.8
169.12227	8.0
169.98149	1.1
170.85435	1.1
171.11391	7.4
173.13290	18.2
181.05038	1.3
191.14310	26.5
209.15385	66.0
210.15688	1.3
219.13365	4.1
227.09076	1.5
227.16368	8.3
231.17055	2.4
239.17493	2.0
244.00197	1.1
244.16615	1.7
272.16055	1.9
276.15482	2.1
284.19681	4.6
389.24219	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
55.05503	7.2
56.05027	2.8
57.07084	2.1
60.04518	3.8
67.05492	3.6
69.03416	12.9
69.07068	10.5
69.79498	10.3
70.06593	21.4
71.04984	2.0
72.08163	10.8
74.06076	3.9
79.05507	5.0
81.07050	4.4
81.07560	1.8
83.04985	3.8
83.08604	4.6
84.04510	3.1
84.08135	5.7
85.02907	4.8
85.06555	13.4
86.09711	100.0
86.10244	4.8
91.05479	6.4
93.07060	9.9
95.04964	5.3
95.08602	5.7
97.06563	3.2
97.10164	5.8
98.20771	3.7
99.08090	6.8
103.05465	14.6
105.07031	5.2
107.04935	2.5
107.08588	16.2
109.06498	2.2
109.10173	5.6
110.07092	2.2
111.08098	4.4
116.07079	2.4
119.08575	5.3
120.08130	3.6
121.06499	4.3
121.10143	10.9
123.08099	2.2
123.11728	2.4
125.06046	2.9
125.09634	37.8
127.03876	2.2
129.10237	4.7
131.04938	28.8
131.08578	8.2
133.10106	5.6
135.08040	5.0
135.11678	2.2
137.06050	2.6
137.09593	2.4
139.07539	2.8
139.11162	1.9
143.11797	9.9
145.10150	5.8
147.11737	3.9
149.09621	50.1
149.13281	3.3
151.11162	10.5
153.09140	12.7
154.09882	1.9
157.09715	4.4
163.03915	2.1
163.07518	13.0
163.11189	5.2
163.14824	5.9
166.78189	1.8
167.07040	2.2
167.10681	3.7
171.11278	4.5
173.12881	12.1
185.09117	2.7
189.12396	11.9
191.10699	8.7
191.14345	26.5
201.12369	7.6
209.08215	1.8
209.12024	12.9
209.15372	94.7
219.13370	7.7
227.12907	10.5
227.16423	7.5
232.75400	1.9
232.92288	1.9
233.06412	1.9
242.19769	1.9
374.70050	2.3
389.13797	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	389.2173
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03946	1.7
54.48498	1.0
55.05501	4.3
56.05036	1.3
57.03411	1.4
60.04520	2.7
61.02933	1.4
67.05500	2.1
69.03419	4.2
69.07072	4.6
69.48453	7.7
70.06595	6.5
71.04989	2.3
72.08148	4.1
79.05492	2.7
80.70570	1.0
81.03430	2.2
81.07057	4.1
83.01329	3.4
83.04977	3.6
83.06108	4.1
83.08592	1.6
84.08147	3.3
85.02911	17.2
85.06542	2.2
86.09713	19.0
89.03879	1.3
91.05476	3.7
93.07057	6.5
95.04971	2.4
95.08604	4.9
97.02894	5.6
97.06541	4.6
98.97601	1.3
99.04459	3.3
99.08097	17.5
101.06029	4.1
102.40316	1.2
103.05450	4.3
105.07020	3.3
107.08608	11.5
109.06529	2.9
109.10175	8.1
109.87151	1.2
111.04453	1.2
111.08164	1.4
115.73553	1.0
117.07116	1.2
119.08548	2.8
120.08086	2.5
121.06522	2.3
121.10146	11.6
123.08052	2.6
123.11695	3.3
125.05985	1.2
125.09622	5.3
127.03916	3.8
127.11200	3.5
129.10254	1.9
131.04924	5.0
131.08569	1.8
132.10161	1.5
133.10147	11.5
135.08081	2.7
135.11742	2.4
136.08774	1.7
137.05963	2.8
137.09607	4.1
139.07530	3.9
139.11214	1.9
143.11833	3.1
145.02869	2.7
145.04953	2.2
149.09615	16.4
149.13257	4.3
151.11235	6.9
153.09103	3.9
154.71710	1.2
161.05917	1.3
163.03937	1.7
163.07544	3.1
163.14883	6.0
167.07001	3.2
173.13162	7.5
177.05524	5.2
181.15880	2.1
189.09157	2.0
189.12288	1.9
191.14317	14.8
196.14484	5.2
201.12323	2.0
209.15375	100.0
224.13991	1.8
227.16423	14.0
230.04677	1.2
251.08429	1.5
261.05341	1.2
285.05484	1.7
347.22983	1.3
371.15204	1.4
372.12680	4.8
377.73877	1.2
389.13971	5.1
389.21765	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1806
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.63252	2.4
53.03941	3.0
55.01868	3.4
55.05514	5.9
56.05064	2.7
57.03429	2.7
57.07069	4.4
60.04519	4.6
67.05503	19.9
69.03433	4.6
69.07076	8.5
69.23985	2.7
69.76671	12.2
70.06596	38.7
71.05000	13.8
72.08160	25.6
74.06063	7.7
79.05496	21.9
81.03412	2.9
81.07049	5.2
83.04977	5.3
84.04507	15.2
84.08157	7.9
85.02921	11.0
85.06549	100.0
86.09715	50.3
87.04527	2.3
89.06040	4.9
91.05485	19.1
93.07056	23.3
95.04972	7.6
95.08619	3.5
97.02945	3.2
97.06519	2.4
99.08095	7.3
103.05476	11.0
105.07033	15.9
107.04957	11.8
107.08620	19.5
109.02844	2.9
109.06525	8.9
109.10191	3.4
111.04463	9.5
113.09669	2.1
117.07031	4.5
119.08586	13.4
120.08075	4.6
121.06514	13.4
121.10127	14.5
123.04391	4.0
125.06030	5.7
127.03919	2.7
129.07027	10.6
129.10251	5.9
130.06580	2.3
131.04930	21.7
131.08574	54.6
133.02895	4.0
133.06470	2.4
133.08646	2.9
133.10139	5.5
135.04341	2.8
135.08060	5.3
135.11703	5.5
137.05975	12.7
137.09642	6.5
139.07562	5.1
141.83165	2.3
143.11760	3.1
145.10141	23.8
146.11774	4.4
147.04422	3.2
147.08051	4.8
147.11595	2.2
149.05888	4.2
149.09631	58.0
149.30760	2.6
151.03992	4.1
151.07555	3.4
153.05476	6.2
155.07132	2.5
157.09769	6.7
159.09117	2.8
161.05942	2.9
163.03926	3.0
163.07559	16.4
163.11180	18.1
165.09146	7.4
167.07077	8.1
167.10675	29.2
170.06029	4.9
171.11412	3.3
173.09633	6.7
173.12965	7.1
175.07593	4.2
177.05461	2.9
179.03468	4.1
181.04939	3.0
181.08702	2.6
183.11267	2.8
188.07101	2.7
189.09077	2.4
189.12439	5.0
191.10681	62.6
191.14369	3.6
193.04921	2.9
193.08673	6.9
201.12320	6.3
209.11736	91.5
209.15329	10.9
219.54291	2.3
227.12794	90.6
227.14957	4.9
258.14572	3.9
294.14224	5.0
302.14975	4.6
371.12573	3.9
389.13956	28.0
389.18274	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	389.1709
Annotation	GS-3
Peak:m/z	Relative Intensity
56.96558	0.7
57.77719	0.3
65.03934	0.6
69.07069	0.5
69.48882	2.9
70.06589	0.5
79.05509	1.2
82.82928	0.3
85.02920	0.6
89.03915	2.2
91.05502	2.4
93.07049	1.1
94.06569	0.9
95.04980	0.8
95.07345	0.5
96.08137	1.2
98.97597	2.5
103.05463	0.7
105.07066	0.6
108.08120	0.7
110.09692	2.2
116.04990	6.3
116.98683	0.7
117.03391	3.6
119.04958	1.6
120.04479	0.8
120.08118	2.1
121.10178	0.5
122.06036	2.3
123.04423	0.4
124.07598	0.4
131.04947	0.7
135.04462	0.9
136.07582	1.5
137.05975	1.7
138.06354	0.5
138.09129	3.1
144.04457	15.6
145.02869	13.8
145.05240	0.4
147.04446	0.7
148.07570	1.0
149.06021	1.2
151.03891	3.3
151.05006	0.5
151.07539	1.7
153.05495	0.4
158.99785	0.6
162.05527	5.1
163.03897	0.6
166.08650	5.3
167.07082	0.9
172.03952	63.7
176.07069	0.7
177.05490	30.0
178.06215	0.9
190.05092	0.8
195.06641	0.6
196.07277	1.0
201.05319	0.5
204.06581	100.0
205.06894	1.2
273.12637	0.6
303.11066	0.7
321.12210	1.1
339.13470	0.8
344.14917	5.7
357.14459	25.5
363.13306	0.5
371.15213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
53.03958	4.5
55.01873	23.2
55.05518	4.8
56.05019	2.7
65.03950	7.7
67.05498	9.9
67.61073	2.4
69.03431	5.0
69.07062	3.1
69.56702	7.5
69.57116	7.3
70.06604	13.4
71.05003	4.2
72.08162	5.5
79.05486	12.8
81.07049	6.2
83.79466	2.2
84.08142	12.3
85.02913	10.8
85.06549	3.7
85.92265	2.2
86.09715	22.5
87.10063	5.4
91.05491	50.2
91.06041	5.1
93.07038	8.8
94.04182	3.2
95.04960	14.0
95.08601	9.0
97.02895	6.8
97.06514	5.5
97.10069	2.5
98.20744	3.8
98.97574	3.7
99.04478	2.7
103.05491	15.6
105.07026	9.0
107.04968	15.1
107.08604	2.8
109.06494	3.7
109.10152	5.8
110.03660	4.5
110.07182	4.5
111.04436	4.2
114.83189	2.5
115.05448	5.4
117.03398	3.0
117.06985	2.9
119.04943	3.7
119.08568	4.8
121.06502	6.7
121.10109	4.4
122.03648	5.1
123.04431	12.5
123.11727	3.9
124.05191	3.5
124.73788	2.9
125.06002	6.3
125.09686	2.9
128.06236	4.8
129.07018	17.4
129.10286	4.1
131.04941	28.4
131.08568	11.7
133.06477	3.7
133.10141	8.9
137.05983	76.3
138.06328	5.7
139.03946	3.1
141.07013	7.0
144.05698	5.3
145.02873	4.8
145.05267	2.2
145.06490	7.9
146.03595	2.6
146.11761	3.0
147.04393	6.4
149.05991	12.6
151.03882	5.0
151.07553	3.9
152.04704	3.2
153.05417	6.6
155.06047	3.5
156.05684	5.0
157.06508	13.2
158.07274	2.7
158.99634	3.2
159.08086	11.9
160.05167	5.1
161.06004	6.8
163.03906	2.8
163.07562	13.7
165.05553	2.4
167.07054	100.0
168.07458	3.5
168.67307	2.2
169.06451	3.2
169.07764	4.1
171.06573	4.8
173.05968	3.6
174.06732	22.2
175.07588	20.2
177.05487	32.1
177.09160	2.3
179.07030	6.8
181.04970	69.3
181.06526	5.3
181.08588	3.2
183.06581	14.4
186.06783	6.5
187.07542	13.6
189.07315	4.5
189.09131	37.1
191.07025	5.5
195.08122	2.8
201.09088	13.6
202.07805	2.9
205.08540	8.2
207.06372	3.4
209.08092	40.3
209.15399	5.0
210.74966	2.5
211.07500	4.6
215.08563	2.9
217.06668	3.8
217.08658	19.0
218.07329	7.2
219.08148	4.5
219.10155	75.2
221.09830	3.4
231.08255	2.8
232.95332	2.4
233.09636	3.5
234.06767	8.0
235.07504	5.9
235.09628	4.0
239.07155	12.0
241.08574	9.0
242.05670	4.7
247.07449	6.0
247.09673	7.9
248.08380	4.5
249.09146	11.4
250.09979	3.1
251.07018	2.7
252.07730	5.5
253.08516	2.6
257.08218	3.5
261.09073	11.9
262.06326	4.1
263.06821	3.6
263.10941	2.5
265.08542	5.7
267.09918	3.2
269.07956	5.3
270.08923	2.7
276.07867	2.8
277.08591	20.5
278.09396	7.6
279.10236	6.8
281.11679	4.0
285.07617	44.8
289.08643	7.3
291.10104	4.0
292.07324	3.3
293.08182	5.7
293.11761	10.5
300.09924	59.0
301.10663	3.4
306.08878	4.1
307.09747	6.4
308.10660	3.1
309.11215	15.9
311.09305	3.4
311.12775	4.2
313.10617	5.8
321.11310	15.3
323.09207	4.9
329.14108	3.1
339.08768	3.9
339.12335	32.4
341.13815	4.6
353.09988	2.5
353.13901	27.6
359.14554	4.4
371.14893	54.3
389.15729	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	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	17.7
55.05495	3.1
56.96540	2.5
60.04527	1.8
65.03923	5.6
66.29335	1.7
67.05487	4.5
69.03432	5.5
69.07056	3.2
70.06595	18.6
71.04981	2.1
72.08137	6.7
74.13763	1.6
78.04709	1.8
79.05480	7.9
81.03400	2.9
81.07030	5.5
82.04184	2.9
84.04510	5.6
84.08154	11.5
85.02893	7.3
86.09712	24.0
87.10014	4.1
91.05503	9.9
93.03416	3.3
95.04996	11.4
95.08620	2.3
97.02876	3.9
97.06520	3.2
97.91241	2.0
98.97591	5.0
103.05473	20.4
105.07037	5.2
107.04977	11.0
107.08577	2.2
109.06470	1.9
109.10146	3.3
110.03666	2.5
110.07148	6.3
111.04395	3.7
113.77837	1.9
115.05421	3.5
117.07014	3.7
119.08589	3.9
120.08135	8.9
121.06480	5.9
122.03588	3.1
123.04418	11.3
123.11667	2.5
125.06029	3.8
128.06207	3.7
129.06999	18.0
129.10210	7.6
130.05069	2.3
131.04930	29.0
131.08562	11.3
133.06415	4.2
133.10075	2.2
135.04407	3.7
136.07599	2.6
137.05983	49.7
137.09599	3.6
138.03162	2.2
139.03891	3.7
140.04701	3.6
141.06979	11.1
142.02612	3.8
144.05716	2.8
145.02812	2.6
145.06468	8.1
147.04416	5.0
149.05974	11.1
151.03923	3.8
151.07539	3.8
153.05450	4.6
157.06493	12.1
158.07303	5.1
159.08031	8.2
160.05202	4.3
161.05981	8.4
163.03908	6.3
163.07564	15.1
167.07047	27.4
168.04189	2.4
169.06482	4.8
170.07178	2.4
171.06538	5.8
173.05962	3.8
174.06781	25.4
175.07512	9.5
177.05476	23.6
178.05733	2.5
181.04967	47.3
181.06548	2.7
181.08556	3.4
182.07480	1.9
183.06541	14.5
186.06767	6.4
187.07593	9.2
188.08415	2.5
189.07156	4.3
189.09097	43.7
191.07123	4.4
191.08719	2.3
191.10629	4.4
193.08598	2.0
195.06601	2.1
199.08662	3.5
201.09119	18.8
205.06665	2.3
205.08588	2.3
206.07326	3.2
209.08098	30.3
209.15356	2.7
213.10260	3.1
215.08521	2.3
217.06432	5.5
217.08603	9.2
218.07256	5.9
219.08179	5.7
219.10158	100.0
221.07910	2.7
221.09846	2.1
229.13356	2.3
229.95250	1.9
231.08054	3.2
233.09596	3.3
234.06783	5.7
234.91455	2.1
235.07478	5.0
235.46550	1.9
236.08083	2.4
240.08815	2.5
241.09802	5.5
245.12865	3.0
246.06821	5.5
247.07495	5.3
248.08293	3.8
249.09135	14.3
251.07077	2.5
251.10579	4.0
255.11292	6.8
261.08990	11.8
262.06155	3.4
262.09845	3.4
263.06943	4.1
264.07684	4.0
265.08389	4.2
266.09781	1.9
269.08325	2.8
277.08588	29.4
277.11307	3.7
278.09311	6.4
279.10126	7.3
280.10864	2.0
281.11661	4.3
283.10712	6.6
289.08563	2.1
291.10117	4.7
293.08435	3.8
293.11740	6.5
293.76779	1.9
295.10162	2.3
300.09717	2.2
306.08731	2.4
307.09625	4.0
308.10019	2.0
309.11200	7.0
311.10049	6.4
311.13092	3.7
314.45883	1.8
321.11182	7.6
326.11307	2.3
329.11285	17.5
337.89655	1.9
339.12317	42.3
340.12280	2.2
341.13687	3.8
343.15421	3.5
353.13785	3.4
357.10809	11.7
361.16159	2.1
371.14941	42.5
389.11136	2.7
389.16403	35.0
389.21478	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	389.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57708	1.2
53.03932	1.6
55.01872	2.5
55.05500	1.1
56.05032	1.2
57.03436	2.6
61.02893	1.3
65.03936	1.3
67.05495	4.0
69.01347	1.0
69.03426	5.8
69.07075	8.8
69.58860	4.1
69.59272	2.2
70.06592	6.5
71.04987	6.0
72.08146	4.4
73.02915	13.8
75.05615	2.0
79.05505	1.4
81.03419	2.3
81.07044	4.6
83.04996	1.2
84.04482	1.2
84.08148	3.0
85.02913	18.6
85.06555	5.6
86.09711	100.0
87.73448	1.2
88.54672	1.1
91.03954	1.2
91.05453	5.5
93.07034	9.6
95.04383	2.4
95.04974	41.8
95.08602	4.8
97.02885	5.5
97.06528	3.8
99.04455	15.0
99.08086	4.3
105.03394	2.0
105.07034	7.0
107.04910	1.4
107.08609	10.9
109.02905	1.4
109.06499	2.0
109.09472	1.9
109.10165	23.4
115.07574	3.8
119.08562	3.4
121.06460	1.4
121.10155	6.4
123.04422	4.8
123.11721	9.2
125.09643	1.5
127.03909	2.8
127.07535	2.4
129.10255	1.4
131.08551	5.4
133.10136	42.1
135.08041	3.5
137.06029	2.0
137.08852	1.1
139.11131	3.1
140.04681	17.7
143.11800	10.4
145.04945	2.7
147.11717	1.8
149.09618	2.6
149.13249	3.1
151.11163	8.5
153.09102	22.3
155.07033	30.5
158.10896	2.4
163.03923	1.4
163.14832	1.7
167.07065	2.4
169.12210	6.2
171.11269	7.8
173.13252	15.8
179.06982	2.5
181.04964	31.3
181.08492	2.0
191.14301	25.8
193.01910	1.3
203.71236	1.2
209.08096	7.2
209.15369	52.3
219.13402	7.2
227.09151	53.4
227.16418	7.9
239.17612	1.9
259.89050	1.3
276.15414	1.7
284.19543	5.7
349.81058	1.2
357.10568	2.0
361.55795	1.2
371.23227	1.9
389.17621	3.8
389.23605	1.8
392.27042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54026	0.4
53.03929	0.6
55.01862	0.7
55.05507	1.8
57.03423	0.6
57.07076	0.8
60.04531	0.5
62.67064	0.4
66.12715	0.5
67.05505	0.5
69.03413	1.5
69.07063	1.2
70.06576	1.5
70.55836	0.5
70.56148	0.8
71.04980	1.0
72.08157	1.0
79.05480	1.9
81.03422	0.9
81.07053	1.2
83.01338	1.4
83.04970	1.4
83.08647	0.8
84.08141	1.5
85.02904	3.1
85.06536	0.5
86.09715	5.2
87.05584	0.6
91.05475	1.6
93.07043	3.2
94.30033	0.4
95.04929	0.6
95.08603	1.1
97.02879	0.7
97.06505	2.2
99.04459	1.3
99.08097	6.0
101.06013	1.7
105.07027	1.7
107.04948	0.5
107.08609	4.2
109.02832	0.6
109.06517	1.2
109.10133	1.7
111.08099	1.1
119.08572	1.2
121.06463	0.7
121.10135	4.7
123.08041	0.7
123.11716	0.5
125.09607	2.2
127.03900	1.0
129.10245	0.8
131.04938	1.1
131.08594	4.1
133.10129	4.8
135.08035	1.6
135.11714	1.2
137.05972	1.4
137.09645	0.9
139.07617	2.0
139.11171	1.3
143.11816	0.5
145.10146	1.4
147.04494	0.6
147.11696	0.8
149.09631	6.5
149.13258	1.7
151.03947	0.5
151.11150	2.0
153.09143	1.3
161.06015	0.5
163.03922	0.6
163.07552	0.8
163.14835	2.0
167.07063	1.5
173.13185	2.9
179.04834	0.5
181.15926	1.0
189.12337	0.6
191.10648	1.0
191.14305	5.5
197.07919	1.6
201.12282	0.6
209.12032	4.4
209.15370	37.7
215.07555	0.8
227.16405	4.1
233.08698	0.6
257.08664	0.8
278.48798	0.4
287.09891	0.9
295.11554	3.9
297.08765	0.7
313.12527	1.0
339.09628	0.8
343.13663	0.5
345.15210	0.5
371.12671	3.8
389.14172	100.0
390.14545	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10109	1.5
55.05520	2.0
56.05042	43.4
57.07079	8.7
61.01157	20.9
67.05498	3.8
69.07069	2.7
70.78710	1.3
70.96565	2.7
71.08621	7.2
74.02466	1.2
74.06072	2.3
80.77738	1.2
81.07045	4.6
83.08635	2.2
84.04511	1.8
85.10175	2.6
87.02699	4.5
95.08600	7.0
97.10180	1.3
102.05563	6.0
104.05339	80.3
105.03752	9.7
109.10175	2.1
109.27670	1.5
122.06343	4.5
129.38162	1.3
133.03201	37.6
150.05853	100.0
152.81024	1.3
190.37648	1.2
208.84956	1.3
275.68784	1.2
294.27896	2.6
322.75800	1.3
324.32587	18.9
340.28485	14.9
370.27655	1.3
388.16870	1.6
388.32483	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	388.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91962	50.7
62.05260	61.3
67.05503	77.1
70.06591	100.0
71.52081	43.8
72.99470	47.8
77.46749	51.6
77.55306	54.4
79.95132	45.7
84.08155	57.8
93.07097	54.3
98.97547	71.6
107.08608	62.7
219.01007	48.1
278.73132	62.0
327.00446	55.4
369.83286	51.0
405.42026	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1232
Annotation	Artemetin
Peak:m/z	Relative Intensity
55.05497	2.0
56.96567	1.4
57.25667	1.0
67.05505	1.8
69.03429	1.6
69.07070	1.9
70.87325	1.1
71.51506	1.2
79.05482	1.5
81.07053	3.3
84.60437	0.9
91.05456	1.2
93.07056	1.6
95.08591	3.0
105.07029	1.3
106.36336	1.2
109.10155	1.5
123.08127	1.1
130.02484	0.9
137.06058	1.5
137.21268	1.3
143.29120	1.1
147.04388	1.0
153.01839	3.8
161.05885	1.3
162.06853	1.6
163.03891	2.8
167.03432	2.2
167.07030	1.6
177.05521	3.3
178.06238	1.5
182.02084	1.1
183.02905	3.7
191.07039	1.7
193.08614	2.0
197.04446	3.3
199.02419	4.3
212.03192	1.8
212.29666	1.0
231.29440	1.1
270.05112	1.1
279.23102	1.7
279.69284	1.0
285.07709	2.5
297.07709	1.7
313.07056	3.1
315.08636	1.3
325.07068	2.2
327.05157	1.6
327.08698	3.4
328.06006	1.2
328.09546	2.1
331.08084	3.7
341.06509	9.6
343.08075	7.5
353.26910	1.3
355.07999	1.6
356.08966	4.1
357.09491	1.2
359.07681	9.5
373.09750	1.7
374.09885	4.2
389.12326	100.0
390.12808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.6
53.23354	0.9
55.01681	0.7
55.01877	7.6
57.03439	5.8
61.02930	6.3
67.05492	1.1
68.99786	2.7
69.03435	33.1
69.26353	2.1
69.26749	8.5
70.06597	10.3
71.04977	3.8
72.08139	2.8
73.02921	6.2
75.31786	0.9
79.05484	1.5
81.03001	1.5
81.03430	23.7
83.01325	1.0
84.04501	1.5
84.08147	6.8
85.02911	100.0
86.09708	5.3
87.00835	41.1
87.04461	0.9
89.97280	0.9
91.03952	1.8
91.05456	1.8
97.02299	1.8
97.02897	31.0
99.04468	13.0
101.02356	1.0
105.01873	71.7
105.07034	22.4
108.04475	4.1
109.02884	28.1
110.07149	2.2
115.03951	1.2
116.07169	1.1
117.01830	4.2
117.03351	2.5
119.08546	1.4
120.08098	1.7
121.06546	2.3
122.03608	0.9
126.05544	1.4
127.03926	71.0
129.01854	3.3
129.10205	2.7
132.05226	1.2
136.51601	0.9
137.05978	8.7
138.06371	4.6
141.01714	1.0
145.02953	6.2
145.04964	36.5
147.02896	2.2
149.05992	1.4
151.03896	1.1
154.14577	0.8
159.02895	16.5
167.07080	1.6
177.04050	1.9
177.05476	12.9
181.04935	1.5
189.03967	3.5
196.38791	1.2
207.13930	1.5
209.08102	2.3
213.03969	4.1
213.09158	1.8
231.05016	26.6
231.10120	1.6
248.07655	3.5
249.06052	9.9
250.18803	1.1
251.09099	1.5
266.08682	1.4
335.11258	1.4
358.13339	1.4
365.15646	0.9
370.13458	1.2
388.14478	6.7
406.91891	1.0
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
51.02374	0.5
51.98479	0.5
53.03941	2.0
55.01870	1.5
55.05502	0.5
56.05023	0.4
56.96576	0.5
57.03444	0.9
61.02917	0.5
64.54645	0.4
67.05529	0.5
69.03428	4.0
69.07065	0.7
70.06598	5.8
71.06915	0.4
71.51913	0.5
72.08158	1.9
73.02921	1.3
79.05497	3.1
81.03432	2.9
84.04515	0.5
84.08150	4.9
85.02908	10.4
86.09718	4.3
87.00831	4.5
89.03939	1.3
91.05494	2.7
93.07050	5.1
95.04988	1.0
97.02906	4.4
99.04465	1.8
103.03950	0.8
103.05471	5.2
105.01879	6.2
105.07039	100.0
106.07405	1.4
107.04952	1.0
108.04492	1.3
109.02897	3.2
110.07181	0.8
116.07071	0.8
116.25576	0.4
117.03383	7.2
119.04951	0.8
119.08574	3.1
120.08112	0.8
121.06514	16.4
123.08084	1.0
127.03927	8.0
129.01888	0.6
129.10260	1.7
131.04919	1.0
131.08615	1.1
133.02841	0.5
133.10185	0.8
134.03636	0.5
136.07607	0.6
137.05989	3.2
138.06366	1.6
143.03438	1.0
143.08539	0.8
145.02859	17.5
145.04912	3.7
146.03226	0.5
147.08061	2.8
149.05994	2.2
151.07573	1.5
159.02884	2.5
159.08095	1.5
162.03178	1.1
163.03947	0.8
167.07024	1.3
168.07368	0.8
169.07689	1.0
171.08078	1.6
175.03938	0.5
177.05479	29.8
178.05862	0.6
178.08646	0.6
181.04948	0.7
185.09645	1.0
186.05530	0.5
189.04004	1.5
189.09138	1.4
190.02089	0.4
195.05629	0.6
195.08043	1.1
207.13948	0.7
208.14151	0.6
209.15346	0.5
213.04002	0.6
213.09178	2.3
219.06578	3.5
225.06667	0.7
231.05029	2.1
231.10258	1.6
233.08380	0.6
236.09216	0.5
239.08139	0.7
251.09157	12.2
295.07227	0.6
311.08911	0.5
313.08301	1.2
314.13837	2.8
328.09311	1.0
335.11371	0.6
356.12128	0.9
358.13882	0.5
370.10318	0.8
388.11206	1.2
388.17822	12.1
388.25192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1059
Annotation	Pyraclostrobin
Peak:m/z	Relative Intensity
53.03933	1.2
69.81246	2.8
69.81647	1.6
75.04465	1.1
80.25249	1.2
88.17039	1.0
91.05473	3.6
91.97849	1.1
98.20744	1.3
104.04983	9.3
105.04409	1.2
105.05777	19.5
106.06542	3.1
107.07342	1.8
116.05030	1.1
117.04873	1.1
118.06539	6.2
119.03693	11.2
120.04456	10.2
121.06487	3.5
123.06776	3.2
128.04945	1.3
129.18669	1.0
130.02876	1.4
132.04477	17.2
133.05238	37.4
134.06024	10.5
146.06001	3.2
149.04736	41.8
149.05928	2.6
162.05519	24.8
163.06293	100.0
164.07077	53.9
166.08601	1.8
181.77078	1.2
194.08128	56.2
253.05226	2.6
261.08932	2.7
296.05853	16.9
324.05368	3.2
394.22461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
56.05041	0.7
56.77487	0.3
57.03439	3.0
59.05001	0.4
60.04530	0.7
65.03946	1.2
69.03423	1.3
69.07066	0.6
70.06590	5.1
70.32658	1.0
70.51566	0.3
71.01358	2.6
71.06944	0.4
72.08156	3.2
73.02924	5.4
74.06064	0.6
75.04474	0.8
81.03437	0.4
83.01341	0.9
83.06092	0.6
84.04503	2.5
84.08139	4.3
85.02905	11.0
86.09708	4.9
87.05595	0.5
88.04014	0.5
91.05486	0.5
92.04984	3.0
93.05769	0.3
95.01327	3.0
96.08148	0.4
97.02914	1.4
98.06049	0.6
98.21425	0.4
98.97575	0.5
99.00826	0.5
101.02386	1.5
102.05526	0.7
103.03928	0.8
103.07597	0.4
110.06043	46.2
110.50210	0.3
112.11246	0.6
113.02367	5.2
115.08733	0.3
116.07082	0.7
117.03382	0.4
120.03725	0.4
120.04485	1.5
120.08135	0.6
124.03973	0.4
129.10228	1.8
131.03433	1.8
132.08127	0.4
136.07635	0.4
137.05974	0.9
138.05501	100.0
139.05925	0.5
141.01819	5.5
141.10193	0.4
144.06569	1.2
145.02841	0.4
148.06140	0.4
151.07524	0.8
155.08170	0.4
155.11801	0.5
155.51563	0.4
159.02893	1.4
161.09210	1.2
163.03952	1.9
170.06058	0.3
173.09169	0.5
179.07057	0.5
181.04994	0.3
188.04071	0.3
189.99599	0.4
194.08130	20.8
200.13939	0.8
208.00604	1.0
209.05127	1.5
209.13832	0.6
212.09177	82.7
213.09514	1.1
226.01773	0.7
226.05298	2.2
226.07185	0.4
236.09279	0.3
237.98515	0.3
251.13829	0.3
370.11264	3.4
388.12363	17.2
388.16418	0.9
388.27222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2018
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03949	1.8
55.05515	6.8
56.05027	1.2
61.02921	1.5
62.15948	1.1
67.05511	5.1
69.03432	5.6
69.07074	4.1
69.48440	9.0
70.06596	13.0
71.04984	2.2
72.08161	44.3
79.05496	4.6
81.03436	2.8
81.07072	6.2
83.04950	1.5
84.04532	1.5
84.08147	9.5
85.02914	13.3
85.06551	2.8
86.09715	27.1
89.20157	1.2
91.05468	9.0
93.07048	11.4
95.04984	2.2
95.08619	4.6
97.02895	3.3
97.06518	2.4
98.06125	1.2
98.20772	2.4
99.04462	3.3
103.05500	1.5
105.07045	19.4
105.18303	1.4
107.04963	4.1
107.08604	26.6
109.02898	2.8
109.06519	5.9
109.10159	6.5
110.07171	2.2
111.04443	2.0
116.07069	2.1
117.03394	3.7
117.07072	2.8
119.04975	2.3
119.08573	12.2
120.04439	2.0
120.08129	4.4
121.06531	8.3
121.08492	1.4
121.10149	9.9
123.08095	3.4
123.11703	2.8
127.03927	1.8
129.10228	9.6
130.06532	1.4
131.04930	2.4
131.08592	6.9
132.10233	1.5
133.06496	2.2
133.10127	5.1
135.08070	3.0
135.11731	2.0
137.05984	5.7
137.06970	1.2
137.09648	13.6
143.08537	2.5
145.02881	7.3
145.05022	2.0
145.06506	2.9
145.10121	4.1
146.03210	3.4
147.04382	1.3
147.08054	4.7
147.11685	17.6
149.06032	2.2
149.09644	17.5
149.13226	3.2
151.11200	1.3
155.10645	1.4
156.09355	2.8
157.09737	3.4
159.11710	4.5
160.07616	1.6
161.06062	1.8
161.13260	14.9
163.11188	2.3
165.09129	25.8
165.12753	2.3
167.07062	12.0
167.10696	11.1
171.11661	6.5
173.06071	3.1
177.05493	11.6
177.12747	11.2
178.05838	4.4
181.05019	3.7
187.07419	2.2
189.12761	19.1
191.07036	3.0
207.13812	100.0
208.14253	1.7
211.14418	2.3
213.04282	1.7
213.99812	1.4
219.06592	1.5
225.14859	19.0
231.05424	2.0
231.17006	4.6
233.08116	5.0
235.07933	1.6
251.09152	2.2
252.09557	2.8
256.16504	4.3
279.06531	2.0
288.90234	1.4
299.09146	1.3
314.11539	1.7
327.12134	3.4
337.10760	1.5
355.11737	2.4
369.13419	1.5
387.14734	4.7
387.19745	2.2
387.27121	2.6
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
55.01862	2.1
55.05503	5.1
56.05037	2.6
57.03429	2.3
61.02926	1.7
65.03931	2.4
67.05506	9.5
67.20125	1.3
69.03432	28.5
69.07066	6.9
69.87368	5.8
70.06593	13.1
71.04995	2.9
72.08148	7.2
73.02902	1.4
79.05506	9.2
81.03417	5.4
81.07063	13.5
83.04976	4.8
83.08591	1.8
84.04501	3.9
84.08147	8.5
85.02899	15.4
85.06541	1.6
86.09708	13.5
87.04471	3.8
91.05468	7.6
93.07037	6.0
94.04166	1.7
95.04997	10.1
95.08602	10.1
96.82916	1.3
97.02907	7.6
97.06512	2.9
98.21410	2.2
98.97585	2.7
99.04455	2.2
100.05569	1.4
103.05459	2.1
105.07040	19.6
107.04948	5.2
107.08589	7.8
109.02859	2.2
109.06522	8.6
109.10155	4.3
110.07207	2.9
111.04421	1.7
111.08076	3.4
115.05437	2.2
115.08749	1.4
117.07065	2.7
119.08595	14.2
120.08080	3.2
121.06514	5.7
121.10144	12.5
122.03661	4.0
122.07275	2.0
123.04433	11.5
123.08105	5.3
125.09654	2.1
127.03928	4.7
129.10236	5.3
130.04988	1.6
131.04980	1.8
131.08595	2.3
133.06512	7.5
133.10135	30.8
133.31358	1.5
135.08092	2.6
135.11720	5.0
137.05984	62.5
137.07062	3.1
137.09601	21.8
139.11172	10.4
143.04944	2.0
143.08481	1.5
145.02849	5.5
145.04953	3.1
145.06476	2.6
145.10211	1.4
147.07996	2.7
147.11693	10.3
149.05998	2.1
149.09601	4.9
151.03894	3.7
151.07558	6.2
151.11134	1.7
155.01613	2.0
156.09363	5.1
159.08028	1.6
159.11745	3.3
161.05989	2.3
161.09567	2.2
161.13264	11.1
163.11249	7.7
165.09157	1.5
165.12762	4.1
167.07056	19.9
169.03215	3.1
171.11661	10.2
173.05971	4.0
174.10435	6.0
175.07465	2.2
177.05482	13.4
177.08974	1.5
177.12791	2.7
179.14281	2.2
181.04990	8.0
189.12737	33.5
202.06013	1.3
203.07036	4.0
205.08611	3.1
207.13803	100.0
211.04279	9.4
225.14862	31.1
233.08057	4.0
277.08530	1.9
294.57687	1.4
307.09500	1.8
309.08499	2.1
309.11566	1.8
354.10925	1.5
357.13434	6.1
369.13458	4.8
387.14529	24.0
387.19995	3.7
387.27057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1437
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03949	0.6
55.01864	1.2
58.78920	0.4
65.03940	1.8
66.04713	0.5
67.05486	1.3
69.03422	0.5
69.07037	0.6
70.06573	0.8
71.03102	1.0
72.75618	0.5
74.09712	1.2
78.49760	0.4
79.05493	1.5
81.07031	0.6
82.04208	0.5
85.02892	1.2
86.09690	0.9
91.05475	1.2
93.03391	0.8
94.04204	3.5
95.04963	1.2
97.06519	0.7
98.97558	0.7
103.05471	3.7
105.07037	1.1
107.04958	1.9
109.06511	0.7
110.03680	1.0
115.05430	1.5
117.06974	2.0
118.04179	0.9
119.04994	0.9
122.03652	6.9
123.04416	1.2
125.05980	1.0
127.05468	0.6
130.04169	0.7
131.04913	2.7
133.02887	0.6
133.06523	0.5
137.05980	100.0
138.06300	1.0
143.04919	2.4
145.02849	0.8
145.06476	2.5
147.04417	0.6
148.05196	2.0
149.06041	0.5
151.03917	9.4
151.05032	0.6
153.05463	0.8
155.06065	1.4
158.99655	0.5
159.08043	0.6
161.05988	1.1
163.07549	2.6
165.05417	0.5
167.05649	0.9
167.07048	15.1
171.04520	0.5
171.06506	0.7
173.05984	3.0
175.07518	0.8
177.05472	1.2
179.06981	0.5
181.04956	29.8
187.07542	0.8
191.07040	10.3
195.06615	0.7
203.06993	2.1
205.08611	2.1
215.07039	0.6
221.08017	0.4
233.08102	1.9
234.06673	0.7
235.09756	2.0
249.09103	0.6
267.10059	0.5
277.08658	0.5
307.09891	0.6
319.09729	0.5
323.09299	0.5
325.10803	0.5
336.09918	0.6
337.10690	1.1
339.12225	0.7
341.13953	0.9
351.12360	1.8
355.11981	0.8
357.13361	12.3
369.13239	2.2
387.14407	38.6
387.62253	0.5
388.14841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
54.15392	1.6
55.05515	3.0
57.07081	6.0
59.76962	1.7
65.03965	1.9
67.05505	23.3
69.03426	3.9
69.07079	1.8
70.06594	2.7
71.04370	1.7
71.04665	2.2
71.05006	2.8
72.08161	4.7
72.85609	2.0
81.07051	3.7
82.65813	1.9
83.04973	2.4
85.02905	3.9
85.06548	11.8
86.09701	5.1
90.59927	1.7
91.05464	4.2
93.07060	8.5
95.04971	2.5
95.08616	100.0
97.06474	1.8
102.10994	1.6
104.39790	1.7
105.07053	5.7
107.08575	9.9
109.06521	2.2
113.06026	15.5
119.08591	16.8
121.10162	7.8
123.08085	34.6
131.08618	2.6
133.10088	3.5
135.11734	14.1
137.09599	2.3
147.08098	1.8
147.11691	6.9
149.09641	29.3
151.14903	3.0
161.13287	13.8
163.11186	9.4
165.12794	6.7
166.89622	1.8
167.25078	1.9
177.05415	2.2
179.14305	5.4
189.12772	20.3
194.00430	1.9
207.13820	58.6
209.02609	2.8
210.02785	2.4
319.73120	1.8
357.42804	1.8
387.12439	5.0
387.16559	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	387.1442
Annotation	Magnolone
Peak:m/z	Relative Intensity
50.12717	0.3
50.67969	0.4
53.03949	0.5
54.66647	0.3
55.01878	0.4
55.05508	0.8
56.05024	0.8
56.53290	0.3
56.96579	0.3
65.03937	1.0
65.52100	0.3
67.05490	1.0
69.03419	1.5
69.07076	0.5
69.92236	0.3
70.06600	4.0
70.55000	0.3
71.04971	0.7
71.51809	0.6
72.08165	1.9
79.05493	1.2
81.03428	0.9
81.07047	1.2
82.04204	0.4
83.09015	0.3
84.04507	1.3
84.08152	2.6
85.02920	1.9
86.09715	5.5
87.04463	0.4
89.03917	0.9
91.05484	2.0
93.03425	0.4
93.07065	0.4
94.04206	2.5
95.05000	0.5
95.08604	1.1
97.02898	1.0
97.06553	0.4
98.97549	0.3
102.05532	0.5
103.05515	0.5
105.07027	0.8
106.04203	0.4
107.04952	1.2
107.08553	0.6
109.02901	0.8
109.06564	0.7
111.04435	0.5
112.08705	0.3
115.05470	1.8
115.08661	0.3
116.07070	0.5
117.03387	2.5
117.07012	1.5
119.08584	0.8
120.08131	0.8
121.06526	0.6
121.10124	0.6
122.03654	6.8
123.04447	0.6
123.08073	1.0
125.05972	0.4
127.03976	0.6
129.10283	1.9
130.05031	0.5
131.04927	0.6
133.06447	0.6
133.10139	0.7
134.03618	0.3
135.04424	0.5
135.08052	0.4
137.05986	100.0
138.06319	0.6
142.02635	0.5
143.04927	3.4
145.02835	4.7
145.04950	0.6
145.06493	2.5
147.04466	0.4
147.08076	0.5
147.11684	0.8
149.04861	0.4
149.06032	1.0
149.09642	1.0
151.03964	2.6
151.07614	0.6
153.05504	0.6
155.01726	0.6
155.06056	0.7
161.05989	0.4
161.13248	0.6
163.03935	0.7
163.11079	0.6
165.12769	0.5
167.07056	12.7
169.03233	0.4
171.04425	0.4
173.06003	3.2
175.07579	1.3
177.05481	11.1
181.04968	12.3
181.06558	0.7
181.12283	0.4
189.12770	1.2
191.06926	0.5
203.07069	1.5
203.13882	0.5
205.08575	2.2
207.13846	5.0
211.04251	1.4
225.14926	1.6
225.54118	0.4
233.07939	1.6
235.09578	2.1
235.11790	0.4
245.18622	0.4
277.08688	0.5
295.09509	0.4
299.09332	0.4
337.10934	0.6
339.12256	0.4
357.13364	13.1
369.13177	0.8
387.14410	36.7
387.19800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.47003	0.2
55.01865	0.4
64.72047	0.2
65.03960	0.8
66.04714	0.4
67.05498	0.7
69.03422	0.5
69.27528	1.4
70.06597	1.4
72.08141	0.2
78.04710	0.4
79.05502	1.1
81.03429	0.2
81.07077	0.5
84.04515	0.3
84.08144	0.4
85.02905	0.7
86.09711	3.4
91.05476	1.4
93.03378	0.4
93.07067	0.3
94.04189	2.2
95.04955	0.6
97.02911	0.4
97.06519	0.3
103.05458	0.6
105.03397	0.2
105.04453	0.2
105.07043	0.3
107.04951	1.0
108.02117	0.2
109.06544	0.3
110.03661	0.4
111.04446	0.3
115.05455	1.5
116.07089	0.3
117.07038	2.1
118.04195	0.2
119.08559	0.2
121.06507	0.5
122.03655	7.5
122.06863	0.3
123.04427	0.8
124.05268	0.3
125.05991	0.3
127.03917	0.2
131.04958	0.5
133.06514	0.5
135.04407	0.2
136.07559	0.2
137.05981	100.0
138.03178	0.3
138.06331	0.6
143.04929	3.3
144.05650	0.2
145.02821	0.4
145.06482	2.0
146.11760	0.4
147.08064	0.5
148.05240	0.2
149.05986	0.2
151.03923	3.2
151.05052	0.3
152.04716	0.3
153.05482	0.7
155.06013	0.9
161.05959	0.4
163.07558	0.6
165.05528	0.2
165.86047	0.2
167.07045	14.3
171.06577	0.6
173.05983	3.7
173.07350	0.3
175.07460	1.1
177.05563	0.9
181.04961	12.6
187.07513	0.2
190.06325	0.2
191.07022	0.6
197.12985	0.2
197.15433	0.2
203.07028	1.7
205.08643	2.2
209.08113	0.3
221.08099	0.4
233.08069	1.4
234.06868	0.2
235.07561	0.3
235.09660	2.0
242.14967	0.3
259.20029	0.2
295.09686	0.2
307.09677	0.3
309.11346	0.2
325.10846	0.2
327.12170	0.2
339.12378	0.3
347.45880	0.2
355.12006	0.2
357.13348	12.5
358.13736	0.3
369.13181	0.3
387.14389	37.6
388.14761	0.7
388.19431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30362	0.5
50.95831	0.4
55.05513	0.8
56.05040	1.2
56.96562	0.9
57.03425	0.6
58.99598	3.2
59.09769	0.5
60.04517	1.7
61.01160	2.4
61.02931	0.6
69.03435	1.5
70.06595	10.7
71.50897	0.6
72.08170	5.0
76.02235	8.7
76.04007	11.7
81.03428	0.8
83.06088	0.7
84.04510	2.2
84.08155	5.0
85.02891	2.6
86.09713	3.8
88.02220	100.0
88.04005	2.1
89.03885	0.7
91.05492	0.8
97.02894	2.0
98.06068	1.2
98.97568	1.4
110.07182	1.0
116.07111	1.9
116.98592	0.8
117.03411	1.4
119.04981	0.6
123.04409	0.7
127.03982	0.6
129.10231	1.7
135.04544	0.5
135.23540	0.5
136.06166	0.6
137.05989	1.7
145.02847	3.3
145.04123	0.5
146.02733	1.0
147.04568	0.5
148.06020	0.7
149.06024	0.6
151.07581	1.9
152.07071	0.5
156.07643	0.6
159.07545	0.5
162.02223	0.7
163.03857	0.8
167.03476	0.7
167.07037	4.5
173.09236	0.7
174.02220	8.1
175.11980	0.7
177.05495	7.2
187.10883	0.5
191.04861	51.5
192.05182	0.6
197.08185	0.7
201.12393	0.8
215.13960	1.3
219.01810	0.6
223.04279	2.0
225.13248	0.6
237.02968	0.7
243.05582	0.6
290.19016	0.7
323.09149	0.6
387.12610	1.5
387.27231	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66734	0.5
69.21336	0.5
70.55776	1.4
85.02893	1.2
87.04479	0.7
89.03920	8.2
91.05466	0.5
95.08605	2.8
95.38012	0.5
97.02886	0.7
106.04204	0.7
117.03387	24.9
119.08581	0.8
133.10152	0.6
134.03578	1.6
135.04402	0.6
135.11676	1.9
145.02855	55.7
147.11653	0.9
149.06015	7.8
149.09657	1.3
161.13268	2.3
177.05481	100.0
178.05920	0.8
189.12752	2.4
207.13861	2.6
274.70554	0.6
306.58167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1438
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03952	0.5
55.01869	1.0
62.45578	0.5
65.03941	1.4
67.05499	0.6
70.68797	1.2
79.05490	1.7
81.03414	0.7
85.02904	0.5
91.05482	1.4
93.03418	0.5
93.07051	0.5
94.04185	2.3
95.04951	0.7
95.08597	0.5
97.06553	0.8
97.68816	0.5
103.05472	4.5
103.16216	0.4
105.04530	0.4
105.07030	0.7
107.04959	1.6
107.08612	0.5
108.02129	0.5
110.03658	0.5
111.04333	0.4
115.05451	2.1
117.07018	1.6
118.04128	1.2
119.04922	0.5
121.06508	0.9
121.10149	0.5
122.03632	6.9
122.04472	0.4
123.04427	0.8
124.05253	0.4
125.06010	0.5
131.04927	4.8
132.05640	0.4
133.02892	0.6
134.03687	0.6
136.07584	0.9
137.05983	100.0
138.06332	0.5
142.02612	0.5
143.04868	2.9
143.35580	0.5
145.06465	2.7
146.06982	0.4
147.04405	0.4
148.05199	2.8
149.05937	0.5
151.03914	12.0
151.05038	1.0
153.05518	0.8
155.06042	1.1
161.05978	0.8
163.07533	4.3
165.05519	0.5
167.07028	11.3
171.06535	0.6
171.11758	0.4
173.05969	3.3
173.13228	0.8
175.07610	1.2
176.04706	0.6
177.05499	0.5
181.04959	20.3
181.50739	0.4
191.07040	12.8
193.08684	0.5
195.06477	0.7
203.07013	1.6
204.06764	0.5
205.08591	2.4
219.08054	0.6
233.08105	0.9
235.09644	2.1
247.07555	0.6
249.74422	0.4
264.07907	0.5
277.08682	0.4
279.09958	0.5
287.69412	0.5
291.10309	0.5
305.08066	0.8
307.09702	0.6
309.11188	0.6
319.09738	0.7
337.10559	2.2
339.12164	0.9
351.12341	1.4
355.11963	0.7
357.13327	12.6
358.13718	0.5
369.13284	1.1
387.14392	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	387.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01865	2.3
55.05490	2.5
56.05017	1.3
56.96560	8.4
64.94270	1.1
65.03918	1.7
67.05509	2.9
69.03432	6.9
69.07066	3.9
70.06596	22.1
71.06914	1.3
71.51608	2.3
72.08151	5.4
73.02898	1.5
78.04670	1.7
79.05476	5.2
81.03429	3.0
81.07071	2.5
83.04998	2.1
83.06097	6.1
84.04519	10.3
84.08147	8.7
84.96025	4.7
85.02913	12.6
86.09708	33.7
91.05501	7.2
92.55586	1.2
93.07072	2.4
94.04186	2.9
95.04971	2.8
95.08592	3.1
97.02891	4.6
97.06532	1.9
97.30795	1.2
98.97591	30.1
99.04418	1.8
101.07146	1.5
102.39542	1.2
103.05461	3.6
105.07060	6.2
107.04954	5.5
107.08584	2.1
109.02857	2.4
109.06499	2.0
109.10152	2.6
110.07150	2.5
110.09702	1.6
110.97566	6.6
111.08080	1.9
115.05451	3.1
116.07094	3.3
116.98604	8.0
117.03400	2.1
117.07013	3.6
119.04938	1.3
119.08568	1.6
120.08109	4.1
121.06541	6.2
121.10039	1.8
122.03661	7.1
123.04406	2.1
123.08030	8.8
124.07544	1.5
125.05991	1.7
127.03922	2.3
128.98624	7.8
129.06616	4.8
129.10223	5.6
130.06485	1.6
131.00121	1.6
131.04958	3.3
131.11810	1.3
133.06432	2.4
134.99628	2.4
135.04387	1.6
135.11705	1.4
136.07576	1.6
137.05981	100.0
140.98595	1.7
143.00183	3.8
143.04926	4.3
144.98018	1.8
145.02855	3.5
145.04948	4.4
145.06471	4.8
146.11768	8.1
146.99715	1.8
147.07980	1.6
147.11710	1.4
149.05968	2.2
149.09622	1.8
151.03874	3.3
151.07529	11.1
152.98567	2.6
153.05415	1.5
155.06094	1.8
158.99632	4.7
161.01212	3.1
161.05948	3.3
163.03867	2.0
163.07530	1.5
163.11176	4.5
164.07040	1.5
165.05502	1.4
165.09029	1.6
167.07047	32.6
169.13364	1.4
170.99658	4.1
173.01218	1.3
173.05992	5.9
175.07629	2.7
177.00719	5.5
177.05467	7.2
179.07076	1.4
179.08638	1.6
181.04951	13.5
181.12262	2.8
187.07541	2.3
189.12775	3.5
191.07097	2.9
196.14455	6.5
197.12840	5.0
199.06442	2.5
201.00763	3.3
201.05463	2.0
203.07028	4.0
204.06566	2.3
205.08528	2.0
207.13794	16.5
214.15479	3.6
219.01797	11.6
219.08147	1.7
221.06129	1.3
224.13753	5.4
225.12642	1.3
225.14845	3.1
229.07391	1.9
233.07999	2.7
234.06587	1.4
235.07382	1.6
235.09581	1.7
237.02838	16.2
242.15012	4.6
247.07449	1.9
249.08980	1.2
256.16620	2.0
263.06976	1.4
279.10028	1.3
295.06857	2.0
295.09775	2.2
297.11313	2.1
301.09567	28.2
307.09625	3.2
319.10672	37.3
325.10873	1.8
326.11377	1.5
337.10699	2.2
339.12317	2.3
341.13724	2.3
342.12177	3.8
343.10608	9.6
357.13437	12.7
361.11731	8.6
369.13293	4.2
369.24951	4.3
375.08807	1.5
387.10236	9.7
387.14386	46.6
387.19995	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	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	14.1
55.05507	32.3
57.03431	20.0
59.18932	13.4
62.07599	13.1
67.05508	94.7
69.07069	31.9
71.51900	15.1
79.05502	67.0
81.07064	100.0
83.08618	30.0
91.05484	41.9
93.07029	89.4
95.08611	62.2
105.07019	57.2
107.08571	64.7
109.06540	22.3
109.10145	41.7
117.06986	23.4
119.08580	43.5
121.10112	67.5
131.08568	33.8
133.10149	43.1
135.11714	39.9
141.18016	13.5
145.10153	21.5
147.11688	40.7
149.13260	27.9
159.11722	22.8
161.13223	18.6
175.14822	16.4
201.16496	14.7
212.21957	12.4
225.16592	14.7
225.63622	14.4
229.14497	17.3
241.19444	25.9
259.20639	54.3
277.21625	39.7
351.25262	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	4.8
56.05023	6.5
56.96570	2.8
57.03204	1.5
57.03445	20.5
59.04990	5.3
60.04516	6.1
61.01142	2.1
61.02919	5.6
61.64124	1.5
64.77576	1.5
69.03435	66.5
69.07088	3.0
69.44477	10.1
70.06599	42.6
71.06934	3.0
72.08163	28.7
73.02907	3.5
74.06081	3.9
79.77442	1.8
79.88548	1.6
81.03406	6.5
83.06101	2.4
84.04506	8.2
84.08142	22.5
85.02912	94.5
86.03230	2.1
86.09708	26.1
87.04474	50.9
88.03987	2.0
91.03949	6.0
91.05473	3.5
97.02900	57.2
98.97584	3.5
99.04454	4.7
103.03940	2.0
104.05294	3.0
105.07018	3.0
109.02868	7.3
110.07158	9.2
115.03940	81.6
116.07088	5.7
120.08116	4.4
123.04390	2.5
124.98985	1.7
127.03919	20.0
129.10240	14.3
130.06529	2.9
130.08684	2.2
133.04977	100.0
135.04451	3.8
136.07605	4.2
137.05966	7.6
138.06367	3.7
143.11864	2.2
145.02957	2.4
145.04980	40.8
146.03268	1.9
147.04376	2.2
149.00464	2.1
149.05927	1.9
150.07597	10.3
156.07713	3.2
161.05991	2.3
163.03935	12.9
163.06038	19.9
164.04254	7.2
166.05949	1.6
167.07013	8.2
169.04990	2.1
177.05457	7.1
185.09264	2.1
194.00359	3.2
195.00732	2.8
206.11766	3.7
207.01102	2.7
207.12109	4.8
209.02658	6.8
210.02921	8.1
214.06097	1.6
237.13377	4.7
239.11398	1.7
241.07054	3.2
247.35860	1.7
259.08051	5.0
265.07196	2.1
277.09348	2.1
283.08405	2.5
293.09604	1.7
294.07086	1.8
295.10126	5.8
297.04306	2.8
298.04425	3.2
386.13501	4.2
386.18558	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	386.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82756	1.4
55.01880	2.3
55.05509	2.6
57.03442	19.9
59.05006	3.2
59.43889	1.4
61.02915	6.2
66.04219	1.5
69.03434	72.9
70.06593	28.1
71.04974	2.1
72.08158	13.2
72.84117	1.4
73.02922	2.9
74.06076	1.5
75.04510	1.6
81.03411	6.6
84.04493	4.2
84.08149	12.4
85.02911	99.3
86.03236	1.7
86.06052	1.8
86.09725	12.3
87.04472	44.5
91.03924	2.6
91.05479	5.1
97.02895	59.9
98.97582	2.7
99.04447	3.8
99.40938	1.7
103.03901	3.0
109.02861	6.7
110.07143	4.8
115.03934	74.4
115.08689	2.3
116.07077	3.8
119.04904	2.1
120.08096	4.4
121.02862	4.8
123.04433	1.5
127.03933	18.7
128.06267	2.0
129.10233	5.8
129.62793	1.4
133.04973	100.0
136.07635	2.7
137.06000	7.4
145.03035	1.8
145.04964	45.9
147.04417	2.0
148.04686	2.9
149.06039	1.9
150.07599	7.4
162.06281	2.6
163.03934	3.7
163.06023	20.2
165.05493	4.2
166.05794	3.7
169.04970	2.3
175.07596	1.9
177.05406	3.6
180.07449	1.9
204.07320	5.0
222.08557	2.0
228.07162	1.7
237.02837	2.0
237.13319	6.2
241.07047	3.8
246.08470	3.8
259.08206	5.8
277.09210	4.1
295.10175	3.1
350.09665	1.7
387.12143	3.6
387.16663	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	386.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.6
55.05497	1.7
56.28699	0.4
61.02915	0.8
69.03415	0.6
69.07035	0.6
70.06593	5.5
70.74957	1.1
70.75296	0.9
71.06929	0.5
71.72478	0.4
72.08157	7.0
73.06538	1.3
84.04500	1.2
84.08121	1.6
85.02881	1.1
86.09713	3.9
87.10117	0.6
90.09193	5.9
91.05466	2.7
97.02891	0.6
98.06065	0.6
103.05461	0.5
105.03403	0.8
105.07036	0.5
107.04938	1.1
109.02845	0.5
110.07182	1.0
116.07105	0.7
117.03421	0.6
119.04939	2.0
120.04411	0.5
120.08097	2.4
121.01118	2.9
121.06531	0.5
123.02631	1.5
129.10222	1.2
130.04152	0.7
133.02872	1.4
136.07578	4.5
137.05965	0.8
138.05524	0.5
145.02879	1.1
146.03479	0.5
147.04379	2.3
149.00562	10.3
151.02092	2.2
161.00578	0.9
161.02461	0.7
162.03116	0.7
162.06793	0.5
163.02142	1.5
163.03902	1.5
165.00060	1.1
166.00856	4.3
166.08620	0.5
173.00580	1.8
175.02565	0.6
175.03903	3.5
176.04637	3.1
177.00066	1.5
177.03987	0.8
177.05467	4.3
179.01625	5.9
180.02393	3.0
181.03212	2.3
183.01132	0.8
183.04808	0.7
191.01601	1.9
194.00345	47.9
195.00722	0.7
195.04771	0.6
201.00081	4.7
204.99585	0.6
205.03206	1.5
207.01120	30.1
208.01782	1.6
209.02686	100.0
210.02975	1.4
215.14038	0.7
218.00336	1.4
219.01057	0.6
221.09369	0.6
222.83014	0.5
223.04187	0.9
233.02705	5.9
251.03755	15.3
251.13956	0.6
255.03218	0.7
297.04297	77.1
298.04492	1.1
355.11795	0.5
386.12637	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81492	0.8
59.04981	0.9
62.99083	8.6
65.00620	0.7
67.05495	1.3
67.10958	0.6
69.25605	4.6
69.26025	1.5
77.00630	7.2
81.07051	2.2
91.05482	0.9
93.07053	1.0
95.08632	1.4
95.09357	0.7
98.21557	1.3
100.50750	0.7
105.03735	100.0
107.08648	0.8
109.10149	1.2
119.08604	0.9
123.04776	56.9
123.11727	0.7
156.12466	0.6
170.36424	0.6
288.45978	0.7
294.62146	0.7
313.25031	0.8
385.17862	2.9
385.29404	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	385.3101
Annotation	8Z,11Z,14Z,17Z,20Z,23Z-hexacosahexaenoic acid
Peak:m/z	Relative Intensity
53.03939	4.3
55.01877	2.0
55.05515	16.4
57.07075	4.0
57.82301	1.9
59.04999	4.2
62.43830	1.5
67.05509	36.8
69.03410	2.5
69.07072	42.6
69.43119	9.1
69.43528	4.7
71.04998	22.9
76.72472	1.9
79.05502	25.3
81.07061	77.0
83.04996	4.2
83.08623	9.4
85.06553	3.8
90.49444	2.0
91.05470	26.3
91.06002	1.7
93.07047	62.0
95.04984	6.1
95.08609	81.5
97.00346	2.0
97.06512	9.0
97.10160	3.3
98.21534	3.1
99.08094	9.6
105.07034	62.9
107.08600	61.4
107.09308	3.3
109.06524	9.6
109.10164	61.6
111.08081	10.0
111.11807	2.1
113.09681	7.8
117.07063	6.9
119.08582	49.6
119.09351	3.4
121.10146	59.6
123.08109	8.8
123.11713	19.9
125.09686	8.2
127.11203	3.8
129.07036	2.8
131.08554	19.3
133.10136	39.3
135.08089	2.0
135.11697	32.0
137.09634	31.0
137.10594	2.6
137.13321	3.2
139.11185	2.6
142.07863	1.8
142.88046	1.8
143.08623	6.6
145.10132	29.8
147.11694	41.7
147.12796	2.6
149.09683	8.5
149.13286	21.4
151.11194	31.3
153.12764	2.0
157.10149	12.9
159.11696	28.0
161.13278	25.6
163.11217	4.4
163.14908	6.8
165.12755	12.2
169.10188	3.6
171.10487	1.8
171.11626	9.4
173.13242	18.0
175.14833	17.4
177.12854	2.3
177.16508	5.7
181.12280	2.7
183.11853	3.1
185.13284	10.3
187.14830	13.9
189.12721	3.4
189.16350	13.8
191.14368	4.3
197.13414	3.1
199.14865	8.9
201.16478	14.2
203.18089	8.1
205.15952	3.9
205.19659	1.8
211.14902	2.7
213.16479	9.8
215.17952	15.6
217.15973	2.2
217.19551	3.1
219.17574	2.9
225.16476	4.0
227.17990	6.4
229.19666	7.8
233.19196	3.3
239.18172	3.0
241.19423	9.5
255.21188	5.3
259.20682	3.6
269.22653	4.7
273.22150	2.0
275.23871	3.2
281.22809	3.5
295.24316	2.4
299.23837	7.8
313.25436	3.5
349.28903	4.7
367.29980	22.2
385.17926	4.5
385.31079	100.0
386.31528	3.3
409.48932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
55.05504	1.2
69.03441	1.7
70.06597	16.2
70.29444	1.0
70.29841	0.9
71.04998	0.4
71.58904	0.5
72.08161	11.1
73.06548	0.7
74.55766	0.4
79.05493	0.8
81.03426	0.6
83.08623	0.6
84.04497	1.9
84.08138	2.2
85.02899	2.0
86.09715	2.8
87.76510	0.5
88.03994	3.8
89.03918	5.6
89.10786	2.3
90.09211	2.2
91.05476	2.4
95.04978	0.9
97.02884	1.0
98.06036	1.3
98.97559	0.8
101.94473	0.5
102.05531	0.7
103.05440	0.7
105.07024	2.8
107.04988	2.8
110.07159	1.8
115.05431	1.2
116.07076	1.3
117.03387	8.8
117.07001	0.6
119.04948	1.4
120.08144	0.6
120.99618	0.5
121.01094	0.6
121.06483	0.6
123.04448	3.9
127.03867	0.8
127.08810	0.5
128.06213	0.7
129.10240	1.1
129.55493	0.4
131.08588	0.9
133.06499	1.8
134.06030	0.5
135.04414	15.0
136.07581	0.5
137.05984	7.3
138.97336	0.5
141.48506	0.5
143.04938	0.6
143.08554	1.4
143.11830	0.8
145.02846	18.6
145.06483	1.0
147.04414	1.5
148.05244	0.8
149.00565	4.7
149.06035	0.9
150.21056	0.5
151.03944	0.6
151.07527	2.0
159.08023	0.9
161.05984	5.1
163.03908	90.8
164.04288	1.0
164.07080	0.9
166.00864	2.2
167.07085	1.4
168.49905	0.5
171.08051	1.3
173.00607	0.8
175.03925	0.8
177.05479	8.4
177.09097	1.8
179.01617	1.2
181.03229	0.8
183.14958	0.5
189.09099	4.4
191.07088	0.5
193.01785	0.6
193.08655	2.2
194.00345	37.8
194.08153	2.0
195.99774	0.6
197.12920	0.7
201.00099	1.0
205.03159	0.5
206.11774	36.3
207.01112	7.3
207.06650	0.5
208.02299	0.5
208.04297	2.8
208.09676	1.0
209.02682	100.0
210.02966	1.8
211.14349	0.6
217.08656	0.6
218.00323	0.7
223.09457	0.8
223.14406	7.8
232.09656	1.3
233.02654	1.3
233.83856	0.5
239.09421	0.9
251.03769	3.5
251.09358	0.9
254.04893	1.6
256.07260	0.6
264.12143	0.6
283.09671	1.1
296.06061	1.1
296.09448	2.0
297.04291	11.2
297.07532	0.9
367.05017	0.4
368.11118	1.2
368.15045	1.7
376.22852	0.5
385.14633	12.5
385.17587	65.1
386.17905	1.3
397.66208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
56.05013	0.2
57.03456	0.3
69.03437	0.5
69.57191	1.4
70.02947	0.8
70.06601	6.2
72.08163	5.5
73.06549	0.7
73.77492	0.2
76.26701	0.2
78.05298	0.2
79.05499	0.5
81.03420	0.5
84.04503	0.7
84.08157	1.4
85.02897	0.8
86.09719	1.6
87.00822	0.2
88.03484	0.4
88.04001	4.9
89.03922	1.4
89.10808	0.3
90.09203	2.7
91.05492	0.8
97.02915	0.6
98.06059	0.8
105.07043	1.0
105.25681	0.3
107.04973	0.5
107.08607	0.2
110.06457	0.2
110.07178	1.0
114.21016	0.2
115.05477	0.4
115.08706	0.3
116.07091	1.0
117.03385	2.0
117.07022	0.5
118.04188	0.2
119.04986	0.4
120.08084	0.3
121.01086	0.3
123.04446	0.9
127.03945	0.7
129.10280	0.4
131.04959	0.3
133.06479	1.3
135.04416	3.5
137.05992	4.4
143.08536	0.3
143.11797	0.9
145.02853	4.5
145.03983	0.2
145.06485	0.3
147.04422	0.5
149.00572	2.6
151.03996	0.3
156.07645	0.3
161.06009	2.5
163.03915	19.1
164.07085	0.4
166.00838	1.7
167.07051	0.8
169.13358	0.3
171.11314	0.7
173.05859	0.2
177.05466	2.3
177.09082	0.5
181.03168	0.7
183.14876	0.4
186.05582	0.3
189.09097	0.9
190.04971	0.3
193.01904	0.9
193.08603	1.4
194.00349	31.6
194.08115	0.6
195.00656	0.3
197.12785	0.3
201.00079	0.8
201.05495	0.4
205.12009	0.2
206.11784	7.6
206.13773	0.4
207.01149	1.0
208.04292	3.5
209.02689	100.0
210.03058	1.3
211.02252	0.7
215.14026	0.3
218.00150	0.4
223.09479	0.4
223.14528	1.7
233.02647	0.7
251.03687	0.4
251.09120	0.6
254.04758	1.7
261.07605	0.4
283.09644	0.3
296.05893	1.3
296.09518	2.2
297.04330	1.4
322.11118	0.8
368.11560	0.4
385.14191	11.6
385.17700	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0317
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28824	0.3
69.88271	0.9
69.88660	0.8
82.99822	0.4
89.31606	0.3
90.80730	0.3
98.97585	6.5
101.00893	2.8
102.07967	0.3
115.57053	0.3
116.98650	3.1
119.01933	4.4
124.31865	0.4
134.99713	0.8
137.02934	0.8
139.79376	0.3
140.98788	0.6
158.99887	1.5
165.99529	0.4
177.00966	11.8
178.01137	0.4
182.99870	0.7
201.00987	3.1
217.04045	2.9
219.02019	20.5
220.02235	0.8
223.19447	0.4
225.00839	3.2
236.00128	0.4
240.98854	0.6
241.98956	0.4
243.02023	10.8
244.02150	0.7
258.99844	3.7
259.99945	1.0
261.03076	100.0
262.03214	3.9
263.03107	0.8
277.00870	2.8
278.01117	0.9
279.00711	2.3
282.99976	3.4
284.00293	0.8
284.04745	1.7
284.99927	0.9
301.01041	3.1
302.01147	0.7
303.00922	1.5
325.01157	0.7
342.98682	0.4
343.01962	1.5
361.98795	0.4
367.02148	2.7
379.99796	0.4
385.03259	19.5
386.03293	0.8
403.04526	18.8
404.04382	0.7
408.04932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.01868	9.3
57.03446	6.6
59.36700	2.9
61.02930	9.0
61.05948	2.5
63.58068	3.0
68.99797	7.9
69.03427	17.5
69.81024	12.4
70.06590	20.5
71.01348	3.4
71.04988	3.6
72.08152	12.3
78.67077	2.6
79.05512	4.6
81.03429	24.3
84.08144	5.7
85.02911	79.2
86.09715	10.4
87.00845	16.4
91.05489	35.5
97.02893	12.7
98.97612	3.4
103.03947	5.6
103.05473	6.5
105.07030	31.2
107.04955	5.2
109.02911	6.0
109.13023	2.5
110.07182	3.1
115.05440	13.5
116.07140	3.7
117.07024	12.0
119.04932	22.2
121.06497	3.6
123.04452	14.5
127.03951	6.7
128.06180	17.5
129.01845	8.8
129.07018	40.4
131.04924	12.9
133.06490	29.2
135.04451	7.2
137.05981	77.5
143.04955	10.6
143.08536	4.0
145.02844	18.9
145.04944	3.8
145.06512	19.6
147.03185	3.2
147.04427	44.6
147.08073	5.0
149.06007	25.7
151.03987	4.9
151.07549	48.4
153.06970	8.8
153.20593	2.9
155.06056	4.5
155.08484	3.9
157.06497	37.5
160.05205	5.6
161.05989	79.8
163.03882	21.6
163.07523	5.3
165.05482	100.0
167.07074	6.5
169.06500	4.3
171.02895	11.1
171.04323	3.8
171.08063	8.5
173.06006	21.7
174.06825	6.7
175.07553	42.6
177.05524	30.2
177.09009	3.9
179.07037	63.3
181.06537	12.0
185.05940	23.0
187.07582	5.2
189.03955	25.3
189.05505	17.4
189.09099	6.4
191.07048	23.1
193.08623	3.3
194.00352	6.2
194.08116	9.9
195.06581	5.1
197.05997	3.9
199.07529	18.7
201.05487	6.8
203.07034	96.9
205.08586	8.6
207.01108	5.3
209.02701	18.2
210.02763	3.2
215.06969	6.7
217.08624	19.7
219.06570	3.9
221.08070	33.8
223.09679	5.6
227.07068	12.7
233.08095	13.1
245.08115	63.2
251.03729	3.9
263.09158	36.3
281.10294	14.6
297.04382	8.7
349.09207	19.6
385.13965	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	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
53.30585	0.8
55.01872	1.6
55.03942	0.9
55.05508	11.0
56.05038	1.7
57.03446	2.0
57.07063	1.3
59.05011	1.2
60.04520	1.1
60.21209	0.9
61.02916	2.1
67.05506	41.8
69.03442	5.0
69.07050	2.1
70.03167	3.2
70.06597	11.7
71.04980	2.0
71.06927	0.8
72.08147	4.4
73.02908	1.4
73.06526	0.8
74.06094	1.0
79.05485	3.3
81.03410	2.6
81.07059	100.0
83.08627	4.6
84.04501	2.6
84.08147	2.4
85.02903	21.6
85.06525	2.1
86.09688	4.6
87.04461	1.4
87.05576	1.9
88.03976	0.9
91.05470	2.1
93.06999	0.9
95.08601	2.5
97.02888	7.4
97.10156	2.1
98.06107	1.0
98.21404	1.0
99.04500	1.0
102.05508	0.8
104.05311	1.0
104.35804	0.9
107.04937	1.1
109.02882	2.6
110.07195	2.1
111.04436	1.3
116.07148	2.0
117.03410	1.0
118.06678	1.1
120.08097	3.2
121.06516	1.1
121.25497	0.9
123.11710	96.7
124.12045	1.0
127.03899	3.3
129.10217	2.7
130.05016	1.5
136.07564	1.1
137.05917	1.0
141.12743	68.7
143.08200	6.0
145.02814	1.4
145.04968	2.8
149.00571	1.5
149.09531	1.1
159.13806	42.2
161.24164	0.9
166.08765	0.9
167.07027	1.3
173.44855	0.8
177.05507	2.9
182.05298	1.0
187.13281	7.4
191.08444	4.7
194.00320	6.0
201.00116	1.3
201.05386	0.9
205.14360	80.3
206.14769	1.0
207.01132	4.5
209.02675	14.7
251.03772	2.1
296.05963	0.9
297.04315	9.0
339.08035	1.1
384.10699	1.0
384.14944	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	28.7
57.07080	16.5
58.99570	1.2
61.40926	0.5
69.43263	0.5
70.06586	1.7
71.52183	0.8
76.02236	6.0
76.44733	0.5
79.05475	0.6
81.07048	0.6
84.08143	1.2
85.06547	9.0
86.09711	1.2
86.99058	1.1
88.03974	0.8
91.05486	3.2
99.01794	0.5
105.00073	2.2
107.04894	0.9
107.08586	0.6
119.04945	28.1
120.08090	0.9
122.02735	37.5
123.04442	0.8
125.05959	1.8
126.09161	2.5
131.08443	0.6
137.05963	1.8
143.04936	0.7
145.02779	0.7
147.04411	49.8
151.03905	2.7
154.08644	1.2
155.01613	7.6
156.29291	0.6
160.08009	0.8
161.05984	1.3
169.03194	8.9
172.09702	3.1
175.07553	0.7
177.05426	0.7
179.07037	100.0
190.17006	0.6
193.12260	1.0
206.08470	24.7
206.10426	1.2
209.06273	1.0
211.04253	18.0
221.11684	0.6
222.11708	0.9
236.07394	1.2
276.07599	0.6
282.07822	0.7
292.10492	0.8
300.09006	7.6
352.12860	0.6
354.59927	0.5
367.15643	0.5
384.17459	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	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01866	6.0
55.05514	27.4
56.05029	1.8
57.03427	2.8
59.05009	3.6
62.58463	1.9
67.05501	4.9
68.02684	2.3
69.03436	18.5
69.07073	18.7
70.06596	15.7
71.01359	1.9
71.04995	3.4
72.08145	7.4
73.02905	3.1
75.04482	4.1
76.15849	1.7
76.45118	1.7
79.05505	4.2
81.02978	1.8
81.03428	7.5
81.07044	3.0
83.04994	3.1
83.08620	84.9
84.04512	3.7
84.08156	4.4
85.02906	11.0
86.09709	10.8
87.00830	4.3
87.04483	4.8
91.05465	4.6
93.07028	5.4
94.57208	2.1
95.01269	2.2
97.02895	26.0
98.21522	5.2
99.04472	2.9
101.02378	6.1
101.06022	5.7
105.01844	3.9
109.02860	2.5
110.07166	6.5
111.04444	41.1
111.08089	25.9
113.10805	2.1
115.03925	2.2
115.35762	1.9
116.07099	2.2
120.08098	4.7
121.06515	4.6
125.02345	9.5
127.03936	6.8
129.05482	17.7
129.09106	6.2
129.10150	4.0
130.05026	3.2
136.07584	3.3
137.06030	2.2
139.07542	5.7
141.12733	10.2
142.63806	2.2
145.04932	2.4
149.09625	2.0
157.08598	20.2
163.03920	4.4
175.06038	27.6
175.09668	32.9
187.13377	2.4
193.07077	4.5
194.00420	2.8
209.02698	6.9
210.02998	3.7
231.05025	2.4
253.89433	2.4
285.13162	9.5
297.04419	3.2
303.14389	33.4
331.13882	100.0
384.14828	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1475
Annotation	Tolfenpyrad
Peak:m/z	Relative Intensity
55.01862	0.4
55.02161	0.3
55.05482	0.3
55.84386	0.3
56.01388	0.5
65.03935	1.0
67.05487	0.4
68.05053	0.3
69.07055	0.3
71.52749	0.4
75.99558	2.0
81.07055	0.3
81.76661	0.3
90.01096	1.4
91.05482	8.2
93.07027	0.7
95.04978	0.3
95.08592	0.6
96.08973	0.3
105.07015	0.3
106.06553	1.4
107.04980	1.4
107.08607	0.3
109.06539	0.6
115.05473	0.4
117.02176	19.9
119.06061	0.5
121.10116	0.4
128.06216	0.9
129.07002	1.4
130.02859	0.4
141.06984	6.6
143.03696	0.5
144.04489	0.4
145.05284	21.8
146.05615	0.3
152.06229	0.4
153.06979	2.5
154.07782	20.1
157.05176	0.3
167.08553	1.2
169.10135	20.5
170.10342	0.3
171.03209	33.8
178.07776	0.7
179.08546	1.2
181.06415	0.6
182.07260	2.8
189.04195	0.3
197.09625	100.0
198.09915	1.4
200.05869	5.2
224.31021	0.3
277.09772	1.2
384.14734	72.6
385.14972	1.3
401.86099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.6
55.05507	7.9
56.22110	1.1
56.96569	1.3
57.03434	2.9
57.07079	2.2
59.04996	1.0
65.03932	1.2
67.05508	31.0
69.07070	5.6
70.23797	3.4
70.24140	1.0
71.04971	1.9
71.08629	1.3
72.08167	1.3
79.05484	7.3
81.07060	34.1
83.04970	2.3
83.08605	3.8
85.06556	1.8
90.46688	1.1
91.05500	6.0
93.07039	7.2
95.08601	9.0
97.06517	1.4
105.07034	3.7
107.08597	7.1
109.06519	12.9
109.10156	19.9
111.04448	15.3
111.08097	2.3
113.05994	1.0
117.07028	1.9
119.08585	10.0
121.10173	6.7
123.08068	2.0
123.11707	1.2
125.06001	6.9
131.08572	3.3
133.10092	6.0
135.08032	3.9
135.11696	4.3
137.05983	100.0
137.09599	1.6
137.13190	1.4
143.08563	1.3
143.97478	1.0
145.10092	2.2
147.08093	1.2
147.11717	9.0
149.09662	5.2
149.13266	1.9
151.07521	2.9
151.11189	1.5
157.10152	2.4
159.11725	2.3
161.09598	6.4
161.13242	2.2
163.11179	4.5
165.09142	3.0
171.11752	1.2
173.11731	4.7
173.13049	1.0
175.11218	4.8
175.14818	1.3
177.12724	1.0
179.10652	2.2
185.13248	1.8
189.12943	1.3
189.16408	1.2
193.12209	1.3
203.18002	6.6
213.16319	2.8
221.18939	2.5
223.14818	1.2
231.17435	8.9
241.15862	1.8
249.18515	12.0
274.35092	1.1
277.17996	79.6
295.19064	13.9
351.21893	6.3
383.16458	1.4
383.24213	23.7
383.28391	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	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.8
55.01871	5.4
55.05521	19.6
55.05748	3.9
56.05018	3.6
56.96570	8.4
57.03441	15.4
61.02932	6.4
67.05511	30.4
69.03426	23.0
69.07081	24.3
70.06593	14.6
71.01350	4.5
71.05013	7.8
71.51800	4.7
72.08167	26.1
73.02928	7.9
79.05511	23.5
81.03432	12.9
81.07069	75.5
83.08629	9.5
84.08147	13.5
85.02920	50.3
87.04466	3.7
91.05483	32.5
93.07053	52.4
95.04974	9.8
95.08624	58.7
97.02904	16.7
97.06527	19.8
97.10165	7.0
98.97591	7.4
99.04436	8.4
105.07045	78.7
105.07722	3.2
107.04990	6.0
107.08609	60.1
109.02917	8.9
109.06519	6.6
109.10163	44.3
111.04488	5.3
111.08088	5.1
115.05480	5.5
115.14633	3.7
117.07034	7.9
119.04914	4.6
119.08586	56.7
120.08158	7.2
121.06506	8.1
121.10146	37.6
123.04394	5.8
123.08076	4.5
123.11711	22.7
127.03951	15.4
131.04968	5.7
131.08598	16.9
133.06470	6.7
133.10147	41.3
135.11728	20.8
137.05998	79.2
138.06270	3.6
139.07603	4.1
143.08583	6.9
145.02969	6.2
145.04971	6.1
145.10126	32.7
147.11729	62.1
149.05952	4.7
149.09648	5.5
149.13293	12.1
151.11200	20.0
157.10149	14.0
159.11717	17.8
161.02928	5.4
161.05974	24.1
161.13284	23.4
163.03891	4.5
163.11234	6.0
163.14839	21.6
169.10100	7.2
171.11699	8.9
173.13290	13.8
175.06064	4.1
175.14896	19.9
177.05550	8.9
185.13240	5.9
187.14862	5.0
189.16435	4.8
191.10724	5.6
194.12628	5.4
199.07632	14.0
201.16447	15.7
202.07771	5.0
203.08600	12.5
203.17963	100.0
209.13431	4.0
215.17973	6.5
217.15932	4.1
219.07983	6.4
219.17429	4.6
220.08809	8.1
221.19096	14.3
225.16270	5.1
227.17953	5.2
231.08075	16.4
231.17532	12.4
232.08818	6.0
233.09677	6.2
243.17467	6.4
247.07607	10.3
248.08363	11.5
259.07571	11.9
260.08337	4.5
263.10736	11.6
276.07822	9.4
277.08612	5.4
290.09470	5.7
291.10153	51.5
292.10913	6.0
293.08032	8.3
295.12927	5.0
302.06625	5.5
302.17447	15.5
305.08044	7.3
311.20038	13.0
319.20016	8.7
323.12686	18.4
329.20953	21.6
337.10703	7.6
345.30161	4.1
347.22186	17.5
348.18860	6.9
351.12357	13.8
352.13202	5.5
353.10434	4.7
365.23190	20.0
366.14587	7.2
368.12622	4.7
383.15091	34.7
383.18356	23.7
383.24585	12.1
384.14731	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.6
55.01676	0.6
55.01875	6.4
55.05515	3.1
57.03429	2.2
58.63523	0.6
59.05010	3.0
65.03942	0.7
67.05495	2.8
68.02642	0.8
69.03433	12.9
69.07072	1.4
70.06207	1.0
70.06595	20.7
70.36871	0.7
70.65717	2.0
71.04996	4.8
71.06913	0.8
72.08160	3.8
73.02918	1.1
73.08475	0.8
74.06055	0.9
75.04475	2.7
76.96033	0.5
79.01849	0.6
79.05500	15.2
81.03419	2.8
81.07047	2.9
83.04993	3.2
84.04491	1.9
84.08143	4.1
85.02917	4.9
86.09716	7.0
87.04477	7.1
88.03956	1.6
91.05483	13.1
92.97109	0.6
93.07049	16.8
94.07359	0.7
95.01344	1.5
95.04967	2.8
95.08625	0.8
97.02896	20.6
97.06497	0.9
99.00833	0.9
99.04488	1.6
101.02396	0.9
101.06013	2.5
102.05489	0.7
103.05470	1.0
105.03363	0.9
105.07042	23.3
107.04971	5.9
107.08598	32.2
109.06525	2.7
110.07166	6.5
111.04449	17.0
111.07494	1.4
112.08712	0.6
113.02365	2.2
115.03953	1.7
115.05431	0.7
116.06316	0.9
116.07093	7.3
117.06973	6.3
119.04974	0.7
119.08571	3.8
120.08090	2.8
121.06506	10.1
121.10172	6.8
123.04427	1.1
125.02352	5.7
127.03907	1.9
127.08678	1.0
128.06190	0.9
129.05484	8.4
129.06993	3.0
129.10268	1.3
130.07791	1.8
131.04892	1.5
131.08575	34.1
133.06474	1.2
135.04396	1.7
135.08061	1.7
135.11674	1.3
136.07549	1.0
137.05986	1.8
138.06400	0.9
143.03395	1.0
143.08556	1.4
145.06473	2.6
145.10130	14.0
147.06497	4.2
147.08043	2.6
149.06064	3.5
149.09624	100.0
150.09933	0.9
151.07497	0.7
155.08493	1.0
157.05014	0.7
163.11192	19.4
167.07004	0.9
173.09612	8.2
175.06032	31.7
177.05405	1.1
190.08664	1.1
191.10674	42.0
193.07103	2.4
194.00375	6.1
195.08890	0.8
204.10333	0.8
209.02698	21.3
209.11774	4.3
213.12433	0.8
237.13364	0.8
244.00160	0.7
245.10178	1.0
296.06015	0.8
365.15881	1.9
383.16925	16.8
383.22537	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	383.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.3
55.01870	4.5
55.05504	19.9
56.96562	6.5
57.03441	8.0
57.07083	5.5
61.02931	7.1
65.03944	5.8
67.05515	28.7
67.94306	4.9
69.03445	26.4
69.07066	20.9
70.06595	27.0
71.51820	10.0
72.08144	19.9
79.05502	30.5
81.03413	11.9
81.07058	77.2
83.04977	11.2
83.08633	10.2
84.08151	14.3
85.02911	58.8
86.09701	9.9
91.05495	29.3
93.07043	48.8
93.52958	4.7
95.04976	17.2
95.08611	53.5
97.02905	16.7
97.06530	10.7
97.10075	4.3
98.97596	5.6
99.04478	7.3
102.67004	4.8
103.05472	7.0
105.07037	66.5
106.39468	4.7
107.04981	6.9
107.07979	5.8
107.08607	58.7
109.02884	8.4
109.06512	14.0
109.10177	42.4
110.07194	7.5
111.04453	4.8
117.01784	4.6
117.06995	6.7
119.08585	60.4
120.08097	6.5
121.06505	8.1
121.10159	31.9
123.08051	7.0
123.11700	16.6
124.59541	4.8
127.03943	14.4
129.05449	5.9
131.04909	5.9
131.08580	14.5
133.06471	9.3
133.10141	38.4
135.11674	13.4
136.07521	4.8
137.05992	64.7
138.06334	5.7
141.07117	5.1
143.08620	6.0
145.04922	10.0
145.10101	25.9
146.06291	4.6
147.04358	5.8
147.11717	51.8
149.09648	8.9
149.13297	12.3
151.11185	29.0
157.10086	9.3
159.08022	5.6
159.11685	19.7
161.06000	24.3
161.13255	31.3
163.11279	6.7
163.14822	35.1
167.07108	8.4
173.13313	9.6
175.14839	22.6
177.08940	6.1
183.02963	26.0
191.06975	5.6
199.07625	11.7
199.14876	6.2
201.09122	5.1
201.16405	15.3
202.07770	9.2
203.08560	12.0
203.17984	100.0
207.06535	5.7
215.17950	7.2
219.08060	10.7
221.19006	19.8
227.08543	5.7
231.08122	18.1
232.08975	5.3
245.09474	5.4
247.07588	12.6
248.08292	14.6
259.07608	15.6
260.08368	8.2
263.10782	11.2
265.08188	5.2
275.20023	6.1
276.07831	8.3
277.08591	7.5
279.10345	6.2
283.20056	6.4
290.09232	5.4
291.10211	59.2
292.10861	7.9
293.08234	5.6
302.17657	5.3
311.19879	5.6
319.20206	7.4
323.12753	19.2
329.21030	19.8
337.10764	8.9
347.22052	16.4
348.18848	10.8
351.12363	12.1
353.10065	7.4
365.22556	6.0
368.12427	11.2
383.10568	9.7
383.14279	44.5
383.24475	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01882	1.2
55.05511	1.9
57.03421	1.3
67.05499	1.5
69.03430	2.5
69.07060	1.0
70.06593	1.7
71.51690	1.3
72.08150	2.1
79.05494	4.0
81.03426	1.3
81.07066	5.2
81.56989	0.9
84.08157	1.5
85.02905	3.1
86.09708	1.4
86.81161	0.9
89.03918	1.0
91.05463	4.4
93.07054	4.4
94.04195	3.1
95.08606	3.9
95.39410	1.1
97.02886	2.0
97.06528	1.4
98.97552	1.3
103.05457	2.7
105.07037	10.8
107.04932	1.4
107.08583	4.7
109.02886	1.0
109.06524	4.0
109.10176	3.2
115.05443	3.2
117.07014	1.6
119.04933	2.4
119.08598	4.1
120.08210	0.9
121.06523	1.5
121.10137	2.2
122.03667	9.8
123.11757	1.4
128.06238	1.6
131.08594	2.0
132.98302	1.0
133.06541	5.1
133.10153	1.7
135.11726	1.0
137.05986	100.0
141.07007	1.7
145.10141	1.8
146.03619	3.2
147.04457	1.9
147.11674	2.9
149.05949	1.1
149.09612	2.9
153.06969	1.0
161.05994	35.6
163.07542	1.4
163.14827	1.4
166.10323	1.1
167.07079	1.2
168.05710	1.1
171.08076	2.6
175.03943	4.1
175.07530	2.4
175.14839	1.1
179.08606	1.1
183.02843	1.3
184.05232	3.8
187.07590	2.1
189.06989	1.3
191.08586	1.6
191.10710	1.2
191.43040	0.9
199.07558	24.7
199.09360	1.5
202.07790	12.0
203.06754	1.2
203.08571	18.9
203.17938	4.1
204.09331	1.0
205.06619	2.0
207.06512	7.2
215.08574	1.1
219.08070	8.1
220.08821	6.2
221.18976	1.2
230.07240	1.6
231.08057	24.8
232.08842	7.7
233.05969	1.7
233.09621	1.9
234.06654	1.2
235.07628	1.1
235.11084	1.2
245.09552	1.3
247.07545	3.9
248.08368	18.1
249.09131	2.6
258.06821	2.1
259.07562	20.4
260.08292	11.0
261.09137	1.8
262.09784	1.9
263.10718	16.1
265.08621	2.0
275.07098	2.9
276.07819	10.2
277.08575	7.0
289.08420	1.0
291.10165	77.4
292.10840	8.1
293.08115	3.2
295.10037	1.4
295.13266	2.8
302.17572	1.3
305.08127	1.0
307.09842	1.3
308.10388	3.1
323.09464	1.0
323.12784	24.7
329.21146	1.2
337.81915	1.0
339.12497	1.5
351.08444	1.4
351.12408	1.2
383.14426	5.2
383.24924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01886	1.1
55.05516	2.1
57.03437	1.5
67.05502	3.8
69.03433	2.5
69.07074	2.2
69.37469	1.2
69.37873	5.6
70.06584	1.9
71.05009	1.2
71.08639	0.8
72.08157	3.9
79.05498	4.4
81.03422	2.4
81.07071	10.5
83.05008	1.4
83.08630	1.1
84.08179	2.6
85.02914	6.2
86.09715	1.8
91.05490	5.1
92.05743	0.8
93.07059	9.4
94.04204	3.7
95.05013	1.6
95.08604	5.9
95.36009	0.9
97.02891	3.0
97.06516	4.1
98.20731	2.0
103.05479	2.9
103.69748	0.8
105.07042	14.1
107.04990	1.6
107.08632	6.9
109.06550	4.5
109.10181	4.9
110.00254	0.8
111.04480	1.1
115.05470	3.7
117.03466	0.9
119.08586	7.5
121.06504	1.2
121.10146	2.8
122.03667	9.4
123.08058	1.0
123.11703	1.9
127.03977	1.7
128.06242	3.9
131.04942	1.3
131.08586	2.5
133.06494	5.6
133.10143	4.5
135.04480	1.1
135.11708	1.7
137.05988	100.0
138.06331	1.5
141.07005	1.5
143.08643	1.8
145.05008	1.1
145.06508	2.0
145.10114	4.3
146.03621	3.0
147.04449	1.4
147.11700	7.0
149.06007	1.5
149.09554	1.3
149.13263	1.8
151.11186	2.8
156.05731	1.1
157.10110	1.2
159.08127	1.0
159.11743	1.2
161.05998	38.8
161.13293	1.8
163.11206	0.9
163.14828	1.7
167.07098	1.2
168.05708	1.5
171.08133	1.7
171.11658	1.2
173.13258	1.7
175.07562	2.1
175.14850	3.7
177.05527	1.1
184.05202	4.2
187.07594	1.6
189.06937	1.2
191.08575	3.6
192.09369	1.5
199.07562	22.3
201.16409	2.5
202.07787	14.2
203.08588	18.8
203.17990	11.2
204.09377	1.4
205.06516	2.2
207.08209	0.9
215.08588	1.8
219.08104	6.1
220.08885	5.9
221.09660	1.8
221.19060	1.8
230.07312	2.1
231.08070	23.9
231.10260	1.7
231.17436	1.2
232.08907	6.3
235.11169	2.4
247.07610	4.3
248.08368	15.1
249.09123	2.3
258.06827	1.6
259.07562	18.8
260.08328	11.2
261.09174	1.8
262.09824	1.4
263.10684	12.2
265.08627	1.4
273.09500	1.0
275.07025	2.5
276.07794	9.8
277.08411	4.4
291.10175	72.8
292.10815	6.8
293.08148	2.7
295.13269	3.0
302.17709	2.2
308.10626	2.4
311.20187	1.7
319.20044	1.3
323.12796	23.9
329.21332	2.0
330.17538	1.2
340.23352	0.9
347.22525	2.1
348.19022	1.3
365.22067	1.4
383.14450	2.1
383.17538	3.7
383.24042	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43708	0.9
67.05499	2.3
70.90772	2.3
79.05495	2.2
81.07059	2.4
91.05465	2.4
94.04169	3.8
102.34988	1.0
103.05447	2.7
105.06532	0.8
105.07046	8.9
109.06500	3.4
109.10133	1.6
109.87824	1.0
115.05459	4.6
117.03300	1.0
118.04169	1.5
122.03632	10.7
128.06187	3.3
131.04912	1.7
133.06512	5.6
137.05977	100.0
141.06964	1.6
146.03569	4.9
147.04420	1.7
161.05983	42.0
168.05745	1.2
171.08055	2.6
175.07503	1.4
180.74069	0.9
180.96719	1.1
184.05211	3.9
187.07480	1.5
191.08571	3.8
192.09326	2.2
199.07539	25.5
202.07745	13.8
203.08571	22.2
204.09300	1.6
205.06490	2.1
215.08521	1.2
219.08064	7.6
220.08803	6.0
221.09735	1.3
230.07117	2.2
231.08055	30.7
232.08788	6.6
235.11176	1.2
237.09000	1.3
245.09792	1.3
245.51237	1.1
247.07542	5.9
248.08330	14.5
249.09073	2.3
258.06961	1.3
259.07568	25.1
260.08313	12.4
261.09100	2.5
262.09879	1.2
263.10629	11.8
265.08261	1.2
275.06970	3.2
276.07825	10.5
277.08563	5.4
280.10831	1.4
291.10156	76.0
292.10977	7.5
293.07965	2.3
295.13135	1.8
308.10193	2.3
323.12805	21.1
351.12289	1.7
383.23996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.8
56.05036	26.2
57.03425	1.9
57.07060	1.7
58.06583	0.8
67.05504	12.6
69.07090	3.2
69.50513	4.5
71.08632	0.9
74.06082	60.9
79.05473	2.7
81.07062	10.7
83.08595	2.1
84.04484	3.3
91.05476	2.3
93.07045	2.4
95.08611	9.0
97.06511	0.9
98.21543	1.1
102.05545	48.8
105.07056	1.5
107.08588	2.5
109.10159	4.0
119.08643	1.6
120.06580	100.0
121.10165	1.4
123.11720	1.7
133.10129	1.3
135.11734	0.8
137.00005	0.7
147.11691	1.2
153.41380	0.7
161.13202	1.4
163.14922	1.0
245.22626	1.6
263.23746	1.9
364.28528	3.0
382.29663	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.3319
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
55.05515	12.1
57.07072	0.9
67.05518	3.5
69.07072	4.9
70.11700	0.7
71.12527	1.8
72.08162	100.0
75.51406	0.8
79.20863	0.8
81.07058	2.7
83.08620	2.0
86.06078	1.3
88.11284	1.1
93.07056	1.0
95.08617	3.1
97.10184	1.7
105.07032	0.9
107.08627	0.8
109.10187	1.0
118.08666	52.1
121.10143	1.2
135.11790	1.4
163.14804	0.8
211.88348	0.7
228.64648	0.9
264.11179	0.8
265.25510	0.8
336.32761	2.3
382.33383	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	383.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95133	0.5
55.01868	0.6
55.05529	0.6
57.03428	0.7
65.03946	0.9
66.04728	0.7
67.05525	1.3
69.86935	2.9
70.06625	0.7
79.05487	2.4
81.07068	1.5
84.43052	0.7
91.05483	3.4
93.07048	0.8
94.04185	4.9
98.20628	0.6
103.05466	2.5
105.07040	6.9
107.04956	1.3
107.08594	0.7
109.06522	3.5
109.10131	0.8
115.05450	2.7
117.03369	0.8
122.03655	12.1
126.16081	0.6
128.06235	3.2
129.07030	0.6
131.04933	1.4
133.06520	4.4
134.82870	0.6
135.08083	0.7
137.05988	100.0
138.06306	0.8
139.05396	0.7
141.06981	1.7
143.05994	1.0
143.08528	0.8
145.02827	0.9
146.03604	3.5
149.06000	1.0
151.07504	0.6
156.05737	1.5
161.05991	38.3
165.07001	0.9
167.07056	0.9
168.05780	0.7
171.08041	1.8
175.07596	1.3
177.05522	2.0
178.07779	0.9
183.06268	0.6
184.05232	4.3
187.07593	1.4
189.07039	0.7
190.07755	0.9
191.08594	3.6
192.09357	1.7
199.07555	24.7
202.07788	13.3
203.08582	20.1
204.09312	2.1
205.06560	2.6
215.08597	1.5
216.09438	0.6
219.08070	7.6
220.08804	7.4
221.09627	1.8
222.06653	0.7
230.07376	1.9
231.08055	29.0
232.08794	7.0
233.09444	0.9
234.06729	1.0
235.11160	1.7
245.09669	1.6
247.07593	5.6
248.08357	15.1
249.09158	1.8
258.06946	1.8
259.07574	21.4
260.08337	11.5
261.09058	1.9
262.09973	2.3
263.10681	12.2
265.08633	1.0
275.07178	2.9
275.10275	0.7
276.07855	10.7
277.08536	4.7
291.10168	74.7
292.10980	7.3
293.08273	3.2
295.13348	3.8
308.10422	2.6
323.12796	25.3
324.12900	0.8
383.15213	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09687	0.3
55.01836	0.4
55.05465	1.0
56.04998	0.6
67.05479	0.6
69.03387	0.5
69.07020	0.5
70.06594	2.7
70.63383	0.3
70.63682	0.4
71.04944	0.4
72.08170	1.5
79.05476	0.4
81.07034	0.6
83.08575	0.3
83.79597	0.3
84.04459	0.8
84.08101	1.3
85.02880	0.7
86.09699	1.8
93.06998	0.6
95.08547	0.9
97.06463	0.3
97.10143	0.3
98.06032	0.4
98.97577	0.3
100.07562	0.3
101.10772	0.2
103.05417	0.4
105.07013	0.4
107.04884	0.3
107.08494	0.3
110.07178	1.9
111.04388	0.3
115.07503	0.3
116.07035	0.8
117.03339	0.5
117.07014	0.5
119.04911	0.4
119.08557	0.3
120.08059	1.1
123.04376	0.5
124.31213	0.3
129.06921	0.3
129.10197	0.4
130.06453	0.4
130.08530	0.3
131.04880	1.1
132.08022	0.4
136.07526	0.3
137.05997	1.7
143.04860	0.8
145.06419	0.7
147.04356	0.4
149.05959	2.0
157.06450	0.6
160.05243	0.4
160.07530	0.4
161.05984	1.8
162.05504	2.0
163.07520	0.8
164.07077	10.2
173.06001	1.7
175.06100	0.5
175.07512	1.2
176.07048	1.3
177.07864	24.1
178.08600	1.4
180.10156	0.4
185.11734	0.3
187.07468	0.5
189.09111	0.3
190.08650	1.0
192.17291	0.3
199.07379	0.3
202.08627	0.4
204.10289	0.3
220.16960	1.0
234.99600	0.3
256.16803	0.7
274.18024	5.8
283.41879	0.3
284.16422	0.6
302.14407	0.2
302.17493	7.9
320.18570	100.0
321.19006	1.7
346.20010	0.4
364.21191	32.7
365.21475	0.6
382.14478	0.8
382.22287	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1711
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.25169	0.9
50.57112	1.0
54.57231	0.9
56.05035	2.5
56.96568	1.3
57.03430	1.2
57.07074	3.5
58.06602	1.0
59.04996	2.1
60.04519	6.8
60.21994	0.9
67.05497	2.6
69.03418	3.4
69.07064	4.5
69.21380	2.3
69.21785	6.5
70.02954	3.2
70.06598	6.4
71.06963	1.0
72.04507	6.4
72.08154	5.1
73.02901	2.8
74.02447	1.0
74.06075	6.8
81.03422	1.7
83.04993	1.4
83.06092	1.2
84.04506	6.7
84.08147	6.4
85.02908	9.2
85.06535	3.4
86.09708	7.9
87.04446	1.2
87.05592	4.2
88.07629	4.8
90.04995	2.7
90.05555	54.2
91.05466	3.6
95.04986	2.5
97.02867	3.1
98.02408	7.5
98.97578	2.3
101.07125	3.6
102.05517	2.1
103.05459	1.1
103.07579	4.0
109.02871	1.1
110.07135	6.2
113.06019	1.6
116.03463	8.6
116.39293	1.0
119.07330	1.0
120.08109	40.1
121.08438	2.0
124.07609	10.2
126.05560	1.2
127.03924	1.6
129.10275	2.1
130.05029	2.0
136.06180	1.0
136.07574	7.6
137.05963	2.0
142.08626	3.7
144.06485	1.3
144.08060	5.1
148.06042	4.3
152.06964	1.1
156.07671	3.5
158.09647	2.4
162.09157	4.8
163.03844	1.5
166.08653	2.0
173.12860	3.6
174.11313	1.4
176.10727	2.4
177.10274	1.1
184.09712	11.7
185.04126	1.1
198.56541	1.0
201.12329	3.1
202.10735	21.7
207.11305	20.4
216.09879	1.3
220.11803	100.0
221.12892	13.0
235.10783	5.8
246.07555	1.4
249.12308	3.1
249.16057	2.4
295.12964	1.0
354.06271	1.8
382.06342	1.1
382.11212	3.8
382.15790	1.4
382.20251	1.9
382.24484	1.3
383.09399	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	382.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	7.6
57.03428	1.5
58.06587	1.4
59.29705	0.9
60.04524	19.3
62.04304	1.2
62.53761	1.0
64.59612	1.1
69.03435	5.0
70.02948	3.2
70.06593	15.7
71.06961	1.3
71.33199	1.8
72.08158	9.7
73.02899	1.4
73.08496	1.2
74.06077	13.3
76.13856	1.5
77.03917	1.4
79.93632	0.9
80.05026	1.3
81.03419	2.6
81.07067	2.3
82.06559	1.0
84.04504	17.1
84.08146	6.6
85.02912	8.2
85.06557	1.3
85.08462	1.0
86.09694	4.7
87.04472	13.6
87.05590	4.5
88.03994	9.0
91.05466	9.1
93.07043	1.6
95.08598	1.5
97.02886	3.0
98.02415	3.1
98.06064	3.5
98.97572	1.4
100.07558	1.0
101.07155	2.1
102.05540	11.0
103.05461	4.3
107.04939	1.8
109.02882	1.1
110.07183	4.9
116.07088	1.2
118.08665	4.7
119.03382	1.1
120.06615	4.3
120.08106	100.0
121.08420	2.9
126.05524	21.7
127.03983	1.5
129.05510	1.2
129.06647	3.0
129.10265	5.1
130.05035	2.5
130.06523	17.7
131.04987	1.3
135.04399	1.1
136.06189	15.2
136.07571	3.5
137.05998	3.4
144.06555	11.3
144.08057	4.3
145.04968	1.5
145.06128	1.2
146.06009	1.3
147.04486	2.2
149.05948	1.2
153.06577	2.0
154.04959	8.3
156.07640	1.5
160.93434	1.2
163.03903	3.2
166.08649	21.6
171.07640	11.5
172.06140	1.8
172.07596	4.1
175.06108	1.5
175.08679	11.3
176.07042	1.7
178.04991	10.6
185.08185	2.4
185.11725	1.7
186.09099	1.7
189.08717	32.4
189.10194	1.8
190.08607	5.1
191.32274	1.1
199.07121	2.6
200.07068	1.3
202.10878	1.7
205.10184	1.2
217.08176	31.5
217.09764	2.2
218.08136	1.4
220.11923	12.0
224.11163	1.5
231.11305	1.1
235.10764	47.5
236.15842	1.2
246.07608	10.3
249.12338	3.3
263.10242	8.6
264.08652	2.8
277.11871	2.6
306.09595	1.6
328.24701	1.4
329.11304	1.3
336.11444	2.1
346.14267	2.3
350.39362	1.1
364.14981	7.4
364.27036	2.4
382.06644	2.2
382.11316	32.2
382.17087	11.8
382.27863	5.1
393.00150	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63793	0.4
53.03924	0.4
55.05511	8.9
56.05028	0.5
57.03408	0.5
57.07073	1.5
59.59436	0.4
67.05507	8.3
69.07068	1.8
69.25515	3.3
69.25919	0.8
71.08647	0.5
72.08159	100.0
74.09750	0.7
79.05499	2.1
81.07058	7.6
83.08646	1.4
86.06063	0.9
89.06049	1.1
91.05495	2.0
93.07027	2.8
95.08607	6.5
97.06529	1.0
105.07053	1.2
107.08604	1.1
109.10171	2.8
118.08661	50.7
119.08589	1.4
121.10162	1.3
122.45804	0.4
123.11777	0.6
133.08656	0.8
133.10127	1.0
135.11742	0.7
137.13278	0.6
147.11723	0.9
149.13306	0.6
161.13365	0.5
163.14842	0.6
195.12352	1.8
245.22798	1.9
263.23770	1.1
334.31104	5.1
344.66400	0.5
380.31631	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81026	2.4
70.86005	5.4
71.53966	2.2
77.54046	2.1
88.93227	2.6
122.01415	2.7
138.13811	2.7
162.37621	2.4
201.01668	3.7
203.32349	2.8
247.30983	2.8
381.07956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3153
Annotation	Dendronesterone C
Peak:m/z	Relative Intensity
50.65068	1.1
51.86014	1.1
53.03950	2.3
53.78707	1.3
55.01864	1.4
55.05515	8.9
57.07067	3.6
65.03939	1.5
67.05516	14.5
69.07074	13.1
69.84718	3.8
71.04996	3.3
79.05503	10.8
80.13197	1.0
81.06590	2.1
81.07064	31.2
83.04961	1.4
83.08618	5.4
85.06557	2.3
91.05498	12.5
93.07052	30.5
95.04976	2.7
95.08615	32.0
95.88136	1.2
97.06536	3.2
97.10180	4.4
98.21534	1.1
99.08111	1.6
105.07045	24.8
107.08601	26.5
109.06537	2.5
109.10153	20.2
111.08054	2.4
117.07034	3.6
119.08597	26.0
121.06522	1.1
121.10156	19.9
123.08080	2.3
123.11697	8.3
127.11157	1.5
129.07034	2.7
131.08582	15.4
133.10141	21.6
135.08138	1.3
135.11711	13.8
137.13304	2.0
142.07755	1.6
143.08589	7.3
144.09366	3.2
145.10136	21.6
147.11700	16.4
149.13307	8.0
155.08600	2.3
157.10132	11.3
159.11696	21.4
161.13268	11.3
163.14828	2.8
165.12767	1.4
169.10138	2.5
171.11710	8.5
173.13298	12.9
175.14828	7.0
177.16393	1.6
183.11702	4.5
185.13263	15.7
187.14864	13.1
189.16318	5.8
191.17938	1.4
197.13255	3.3
199.14859	9.2
201.16411	9.1
203.17990	2.9
211.14902	4.8
213.16432	9.3
215.18002	9.0
217.19652	2.3
225.16382	3.5
227.18004	5.5
228.18773	6.5
229.19562	4.7
239.17990	2.7
241.19600	2.8
243.21201	1.7
251.17920	1.9
253.19508	2.0
255.21199	4.2
257.22662	2.2
267.21100	3.0
269.22879	1.9
273.21960	1.3
281.22607	1.9
285.22122	1.5
293.22659	2.9
295.24316	2.6
297.25455	1.7
307.24188	1.4
309.25684	2.6
325.25140	1.3
336.29114	1.5
339.27005	1.6
356.56586	1.4
363.30499	11.4
381.31564	100.0
404.34082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.4
56.05039	17.3
57.03442	1.8
58.06601	10.0
58.64358	0.8
65.03918	1.0
69.03434	1.2
69.07080	1.3
70.02937	1.6
70.06600	11.8
71.52013	1.5
72.08162	4.0
72.43672	0.8
73.04039	0.7
73.08536	0.7
74.06083	38.5
79.05485	1.2
81.07052	2.1
83.08560	0.9
84.04518	14.7
84.08138	7.2
85.02898	2.2
86.06047	2.7
86.09709	55.8
87.05589	1.2
88.03968	0.9
91.05491	4.8
93.07050	1.8
97.02877	1.7
98.09673	2.6
98.21499	0.9
101.07146	39.2
102.05540	2.0
103.05470	3.5
105.07026	3.3
110.07162	3.0
115.05418	1.0
117.07030	1.9
119.04950	0.9
119.07318	3.5
120.08109	100.0
121.08449	0.9
126.09190	1.6
126.12790	2.4
129.10246	3.5
130.06483	1.1
131.04996	1.0
132.08101	3.9
132.10179	1.5
136.07559	1.9
137.05942	2.7
142.12251	7.2
143.07372	1.0
143.11778	7.0
145.10149	1.3
152.05681	8.3
152.10712	1.0
158.09657	11.3
160.07632	2.0
160.11214	2.7
166.08655	6.9
167.07121	1.1
169.13380	1.7
175.06235	1.1
176.10724	15.4
177.05492	2.3
177.10243	5.4
179.07033	2.5
180.07375	2.6
181.04944	4.0
182.05292	3.6
186.09145	1.2
187.14426	92.6
192.60065	0.9
207.06540	3.6
208.06854	5.4
215.13922	30.6
221.12859	89.4
222.13068	1.2
233.14659	1.2
233.59203	0.9
249.12352	29.0
270.08636	1.1
279.17053	7.4
302.11209	1.6
318.17029	3.2
334.13724	2.2
344.18915	1.2
362.19547	3.4
380.21011	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	380.1819
Annotation	Asp Val Phe
Peak:m/z	Relative Intensity
51.12113	0.5
51.91149	0.6
53.85699	0.5
55.05516	6.5
56.05013	0.7
69.07061	1.1
69.90313	0.6
70.02940	1.6
70.06599	6.5
70.75500	0.9
70.75820	1.1
72.08159	67.0
81.07056	0.6
82.06586	6.0
84.04499	2.4
84.08138	3.1
85.02888	1.5
85.04029	0.9
85.38235	0.6
86.09711	4.6
88.04005	9.4
91.05474	0.7
95.08684	0.8
96.08144	3.2
98.02398	3.0
98.09634	0.7
98.81544	0.7
98.97578	1.2
99.09241	2.8
102.05504	1.1
103.05422	1.1
110.07164	1.3
116.07112	0.9
119.04939	0.6
120.08110	39.0
121.10160	0.6
123.08221	0.6
123.86156	0.6
124.07607	3.9
127.08687	17.6
128.07089	4.0
129.10246	1.5
131.04922	1.4
133.10098	0.8
136.07599	1.2
137.05966	1.4
138.09128	0.8
141.10219	1.4
142.08641	25.6
145.02849	0.9
149.06018	0.9
152.07048	1.4
158.99443	0.8
163.03926	0.6
166.08644	18.3
169.09695	6.8
169.12083	0.9
170.08174	2.8
177.05495	1.5
187.10789	100.0
188.07069	0.7
215.10297	28.7
222.96968	0.6
265.15436	1.0
371.17126	1.0
380.10483	0.8
380.20737	1.9
381.14819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
56.05034	2.3
56.96561	0.6
60.04517	1.1
67.05505	1.0
68.05021	0.9
69.03419	1.0
69.07080	4.0
70.06593	10.4
70.25024	1.1
70.25414	0.9
71.06976	0.4
72.08162	3.2
74.06075	1.3
75.00768	0.4
78.71381	0.4
79.38557	0.4
81.04542	0.5
82.05334	0.5
83.06114	6.0
84.04510	16.6
84.08150	4.1
85.02897	2.1
86.09712	23.3
91.05500	0.8
93.04522	4.3
93.81844	0.4
95.01356	0.6
95.06093	5.1
97.02899	1.5
98.20782	0.6
98.97598	1.4
101.07123	0.6
102.05568	0.8
104.05306	0.5
109.10204	1.1
110.07172	100.0
112.08734	1.0
113.02376	1.5
114.09098	0.5
115.08641	0.5
116.07082	2.3
120.08121	1.7
121.08516	0.5
123.04367	0.5
127.03889	0.4
129.06606	7.2
129.10277	1.6
130.05022	0.6
131.04955	0.6
136.07568	1.9
137.05957	1.2
141.06534	0.5
141.10207	0.5
152.10744	0.7
156.07695	65.3
163.03871	0.6
164.07080	1.4
166.06145	0.6
167.07062	0.5
169.13414	0.8
171.14958	0.9
187.06064	0.7
197.12857	9.1
217.11893	1.3
220.80940	0.5
237.02888	1.1
237.12343	0.9
269.16141	0.9
279.13992	0.6
287.74237	0.5
334.18750	1.7
339.09409	1.0
344.17178	1.2
362.18408	2.4
380.19293	57.3
381.19797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03940	2.1
55.01864	4.8
55.05510	14.5
57.07080	20.8
57.62044	1.6
59.01173	1.6
67.05508	14.4
69.06737	2.2
69.07075	22.7
70.65188	4.6
71.04996	2.2
71.08620	2.9
79.05091	2.1
79.05495	12.5
81.07062	31.8
83.04980	4.4
83.08619	7.7
85.06533	12.7
91.05465	9.3
93.07052	20.8
95.04961	2.4
95.08615	22.6
97.06530	7.4
97.10186	3.2
98.01656	1.6
99.08086	2.4
99.10271	1.5
101.09644	2.5
105.07036	12.0
107.08604	22.1
109.06500	11.9
109.10152	7.1
111.04403	7.9
111.08070	4.1
117.07030	2.5
119.08574	9.7
119.40935	1.7
121.06480	2.7
121.10149	12.2
123.04409	2.6
123.08057	8.9
123.11689	4.5
125.06009	5.2
131.08565	5.4
133.10146	8.9
135.08052	20.1
135.11681	6.9
135.24525	1.5
137.05968	25.9
137.09570	1.7
137.13254	3.6
139.07523	4.0
143.08487	2.6
145.10147	3.4
147.11665	5.5
149.09619	5.5
149.13242	6.3
151.07568	4.9
151.11153	2.2
152.08363	3.2
153.12823	2.5
157.10127	2.6
159.11717	4.5
161.09630	3.7
163.11156	2.5
165.09109	12.1
165.12770	4.6
173.13312	2.2
175.11165	3.6
177.12746	8.7
179.14272	4.0
181.12402	2.1
181.15894	2.2
194.13109	1.7
207.13774	2.9
209.15338	2.5
235.16649	1.5
263.20102	7.7
291.19540	3.0
305.24734	1.7
319.26337	8.4
329.24844	3.4
347.25806	100.0
348.26389	2.7
351.28943	27.1
361.27353	19.7
379.28467	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
56.05027	2.4
60.04533	1.3
67.05505	0.7
68.05086	0.5
68.67653	0.5
69.07059	1.7
70.02956	1.7
70.06596	10.2
70.83815	1.1
70.84142	0.7
72.08161	18.9
73.08468	0.9
73.38124	0.5
74.06071	0.9
79.95276	0.5
84.04507	3.2
84.08146	6.0
85.02910	1.1
86.09713	22.2
87.05585	0.9
88.03999	6.9
90.05533	0.5
91.05481	7.7
93.07054	1.4
95.08617	0.7
97.02876	0.7
98.02427	2.2
98.06073	0.7
102.05552	1.7
103.05461	3.6
104.05337	0.8
105.07051	0.7
107.05041	0.5
108.04436	0.5
109.06482	0.6
110.07149	1.9
112.11230	0.6
116.07093	1.6
118.08680	3.0
119.04910	0.7
119.07343	1.8
120.08115	100.0
121.08452	1.7
121.10280	0.7
127.08711	0.7
129.10222	4.5
130.05043	1.1
130.06534	17.5
132.04440	0.5
136.07585	2.2
137.05998	0.9
138.05473	0.9
138.09184	0.7
139.05807	0.6
144.08099	4.3
145.02847	0.8
147.04410	0.9
147.09111	0.6
148.06143	0.9
151.07547	0.7
163.03864	1.0
164.07027	0.7
166.08682	0.8
172.07585	4.7
175.06279	0.6
175.08673	14.2
176.07124	1.4
177.05489	1.1
178.08572	0.7
185.18974	0.5
186.12474	1.0
190.08667	6.6
200.07124	1.4
217.09750	4.9
218.08234	1.6
229.15561	0.8
233.11230	1.2
233.16527	6.5
235.10780	58.4
247.07748	0.6
249.12361	1.8
261.16071	3.4
263.10287	14.3
265.15552	2.3
267.13400	1.5
277.11880	0.6
316.16608	0.9
330.19135	0.6
362.20752	1.5
380.10635	2.2
380.20764	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03931	2.0
55.05515	100.0
57.07085	14.5
60.05968	2.0
65.03944	2.0
67.05507	52.9
69.06729	3.4
69.07073	34.4
69.54855	10.8
71.05000	5.0
71.08637	7.2
79.05506	21.5
81.07059	69.3
83.04980	10.6
83.08624	69.2
85.06545	12.0
91.05469	13.3
93.07048	33.0
95.04980	2.7
95.08611	70.2
97.06541	9.9
97.10184	7.0
98.20817	4.8
99.08091	6.6
101.66639	2.0
105.07048	14.1
107.08604	30.7
109.06503	10.2
109.10165	25.7
111.04444	31.2
111.08097	7.7
117.07066	2.6
119.08578	15.0
121.06519	2.6
121.10159	18.7
123.08048	11.0
123.11709	15.5
125.06039	15.1
131.08582	4.5
133.10103	12.7
135.08080	16.6
135.11688	20.6
137.06026	8.3
137.09674	3.3
137.13263	8.1
139.07552	3.1
145.10136	11.8
147.11696	9.2
149.09647	4.4
149.13280	5.5
151.07550	4.1
151.11140	2.5
153.12720	5.0
159.11705	4.5
159.69722	2.4
161.13293	4.4
163.11185	8.8
163.14844	3.9
165.12779	7.7
169.95784	2.1
173.13237	4.5
175.14879	2.5
177.12773	4.4
177.16405	3.1
179.14319	9.5
181.12224	9.5
187.14857	3.3
195.13834	7.1
205.15851	2.9
237.18494	2.4
243.21117	4.4
249.18536	3.4
261.22195	8.6
279.23233	21.8
286.20340	2.3
287.23828	4.2
305.24731	79.0
319.26367	18.7
329.24698	5.8
338.88687	2.2
347.25797	84.2
348.26184	3.0
351.28964	22.6
361.27368	11.7
361.31024	4.4
379.28354	37.7
379.32272	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	379.2846
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
50.87233	0.9
51.52967	0.9
53.03949	1.0
55.05499	3.8
57.07071	8.8
59.04987	2.3
67.05515	7.4
69.07072	26.3
71.04993	1.8
71.08601	2.0
71.17294	1.8
79.05500	8.8
81.06681	1.1
81.07072	13.6
83.04966	1.2
83.08612	2.4
85.06547	5.2
85.10183	1.6
88.85669	0.9
89.06036	5.4
91.05484	6.0
93.06485	1.6
93.07043	21.8
95.08598	8.9
97.06548	1.3
97.10172	1.3
98.06242	1.0
101.09076	0.9
101.09668	15.3
105.07037	5.3
107.08598	24.7
109.06525	7.1
109.10174	3.2
111.08070	3.9
118.47639	0.9
119.08576	4.4
121.06507	1.7
121.10148	9.9
123.08090	5.3
123.11707	2.0
125.05966	1.2
125.09633	3.5
131.08585	1.3
133.08607	2.6
133.10097	2.7
135.07025	1.2
135.08054	22.7
135.11711	3.3
137.05986	3.2
139.07530	7.0
143.08612	1.1
145.10143	2.8
147.08049	1.6
147.11655	2.6
149.09616	3.2
149.13271	6.8
150.06685	1.2
152.08366	5.4
153.09172	1.0
157.10081	1.5
159.11693	2.1
161.09605	1.2
163.11153	1.7
165.09134	17.7
165.12785	1.2
167.14296	1.2
175.11130	1.3
177.12727	7.5
178.13518	1.0
179.14323	6.2
181.15872	10.9
191.14284	6.7
197.11743	1.8
209.15381	17.5
263.20081	3.8
291.19507	3.7
301.20471	1.6
319.21439	1.7
319.26434	1.3
324.74036	1.1
329.24673	2.2
335.20825	1.4
347.25827	100.0
348.26181	2.2
379.28711	36.3
380.28940	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05514	4.3
56.49493	1.0
57.06795	1.2
57.07077	21.2
67.05495	5.4
69.07070	4.9
69.28754	1.3
69.29081	8.2
71.08633	1.7
79.05479	2.6
81.07066	8.2
83.04995	1.2
83.08611	0.9
85.06542	14.5
86.09723	4.3
87.10036	2.5
89.06026	1.2
91.05490	1.8
93.07058	4.4
95.08601	6.6
96.38448	0.8
97.06536	2.7
97.10169	0.8
98.20738	1.5
98.21412	2.4
105.07044	3.1
107.08617	4.6
109.06522	11.9
109.10163	1.7
111.04453	2.0
111.08083	1.3
119.08587	2.0
121.10154	1.7
123.08054	2.4
125.05992	2.6
131.08549	1.6
133.10110	2.6
135.08049	2.8
135.11742	2.1
137.05978	3.6
137.09622	1.1
145.10098	1.6
147.11684	1.2
151.07539	7.4
157.10112	1.4
159.11745	1.2
171.11710	1.5
263.20078	100.0
264.20261	1.3
295.22751	1.4
305.24777	10.3
319.26257	2.4
332.18329	1.1
347.25876	12.5
351.28964	2.5
361.27301	1.8
379.28403	13.0
379.33380	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	379.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40611	2.5
53.03951	8.6
54.62276	2.7
55.01867	3.7
55.05513	16.4
57.03436	6.0
57.07067	3.0
67.05506	36.1
69.03436	35.2
69.07078	14.7
69.54919	16.2
71.01339	4.7
71.04977	5.9
73.02924	5.4
79.05502	28.9
81.03424	28.0
81.07067	71.5
83.04970	5.8
83.08617	6.2
85.02911	25.3
85.06530	3.0
91.05483	39.4
93.07053	75.7
95.04986	23.2
95.08615	77.4
96.08925	4.0
97.02903	23.4
97.06532	7.5
97.10180	3.7
99.04462	6.4
105.07040	61.4
107.04945	4.3
107.08606	72.9
109.02898	9.2
109.06522	12.5
109.10171	27.0
111.04433	8.4
111.08086	5.8
117.07031	14.9
119.04970	5.1
119.08586	85.1
121.06505	10.1
121.10156	100.0
121.11035	5.1
122.08623	2.6
123.04427	8.8
123.08073	13.3
123.11716	8.0
125.09625	5.7
127.03926	9.8
128.06194	3.9
129.07004	10.2
131.08586	24.0
133.06454	3.5
133.10141	43.5
135.08104	16.1
135.11711	39.2
137.05966	8.5
137.09602	3.2
137.13277	3.7
139.07549	4.6
141.07018	3.3
142.07808	7.9
143.08540	16.7
145.06435	3.6
145.10135	22.0
147.08075	6.2
147.11717	20.8
149.09567	5.8
149.13252	4.3
155.08563	5.4
156.09311	5.1
157.10152	29.5
158.10544	6.9
159.08031	5.6
159.11722	46.0
161.09644	12.9
161.13243	37.4
163.07538	11.5
163.11237	6.8
167.07089	3.7
169.10127	4.8
171.11650	17.5
172.12021	5.5
173.09604	9.9
173.13318	16.8
174.13631	3.1
175.11185	4.9
175.14793	8.5
181.04993	3.5
181.10216	3.5
181.12199	7.5
182.12613	9.6
183.11736	8.2
185.09674	3.2
185.13275	6.8
187.11182	8.9
187.14896	17.2
189.09077	3.3
189.12741	9.8
189.14760	5.1
189.16399	50.2
191.14203	2.9
195.11662	4.6
197.13263	9.0
199.11304	2.8
199.14870	14.9
200.13675	5.0
201.12784	7.6
201.16360	10.9
203.14388	6.3
207.06543	3.9
207.13834	2.8
211.14749	6.2
213.16460	8.8
214.16731	3.3
215.14305	8.6
217.12395	4.1
217.15894	35.0
221.13319	3.0
227.14421	4.3
229.15901	7.1
231.17491	7.0
235.16982	10.8
241.15836	6.0
253.15857	3.8
255.17371	4.5
259.16940	9.8
279.17502	3.3
281.17285	4.9
286.86978	3.2
293.96976	2.7
297.18515	4.4
301.17999	5.1
315.19598	3.4
325.18045	8.7
343.19211	13.9
343.22882	3.2
351.22049	3.4
352.69998	4.0
361.20023	21.1
379.21039	33.5
379.25235	3.5
379.32962	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	379.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.1
55.01860	2.1
55.05511	2.4
56.05023	1.8
57.24609	0.8
60.04520	2.1
65.03934	3.3
67.05502	9.0
68.99774	1.1
69.03423	2.3
69.07059	3.7
69.15347	5.4
69.15775	3.0
70.06216	1.0
70.06595	17.2
71.01332	2.0
71.04991	1.3
72.08155	11.7
73.08475	1.6
76.43485	0.9
79.05492	4.9
81.03422	9.9
81.07044	2.9
84.04493	2.2
84.08147	14.0
85.02908	2.6
86.09714	14.4
87.10029	2.0
89.03911	1.1
91.05485	4.0
93.03387	1.0
93.07030	1.6
95.04974	20.5
95.08595	1.4
97.02861	2.3
97.06538	27.0
98.97572	0.9
103.05408	1.8
105.04511	1.9
105.07028	2.3
107.04949	3.2
107.08551	1.0
108.02092	2.6
109.02872	1.3
109.06496	1.3
109.10228	0.9
110.07165	4.1
111.04425	2.2
112.08736	1.0
115.05476	0.9
116.07086	1.3
117.03386	2.0
117.07043	0.8
119.04932	1.5
120.08106	7.0
121.06496	2.1
121.08445	2.4
121.10176	0.9
123.04447	14.1
125.02336	1.0
125.05988	6.8
127.07561	100.0
128.07869	1.0
129.10265	6.0
131.04903	1.2
133.02795	1.4
134.50438	0.8
135.04428	3.0
136.07567	1.6
137.05975	4.0
140.04707	5.6
141.05482	0.9
145.02876	3.9
147.04442	2.4
149.05974	2.3
150.06825	1.1
151.03918	49.4
151.05032	3.0
151.07555	1.6
153.05458	3.0
155.05765	1.8
155.07037	34.4
159.04445	1.0
159.11638	1.0
161.02370	2.5
161.05957	2.3
163.03920	7.6
165.05511	0.9
167.07091	5.4
170.05722	1.0
173.02350	3.8
174.37675	0.8
177.05501	6.6
178.06258	7.4
179.07101	4.3
181.04968	2.0
183.06540	88.8
184.07224	2.8
185.16507	2.3
187.07286	0.8
195.06552	3.5
196.07243	4.9
197.06044	1.1
207.06473	1.6
212.64272	0.9
213.15991	1.1
215.07008	8.7
217.08412	1.0
229.08702	1.1
241.08565	1.6
257.07806	1.2
258.11063	1.1
259.09723	1.7
266.08807	0.9
272.71243	0.9
273.11383	1.6
284.30170	0.8
291.12225	9.5
292.00208	0.9
329.18384	1.0
379.13293	9.9
379.22064	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	1.1
55.05508	1.3
56.05027	0.9
56.96563	1.3
61.02914	0.9
65.03938	7.4
67.05507	4.1
69.03425	2.7
69.07055	2.4
69.50060	2.1
69.50478	3.3
70.06602	5.5
72.07806	1.1
72.08160	11.7
73.08491	2.2
74.06043	1.2
74.63490	0.8
77.03917	0.7
78.04731	0.7
79.05498	3.1
81.03411	1.2
81.07074	1.7
82.04206	2.5
84.04513	1.0
84.08147	4.4
85.02898	5.6
86.09710	22.5
87.10039	4.7
89.03953	1.0
91.04990	0.9
91.05499	10.3
93.03416	1.4
93.07032	2.1
95.04956	1.5
97.02872	2.4
97.06522	2.7
98.21485	1.7
98.97602	1.8
99.04427	0.9
103.05456	1.2
105.06992	1.8
107.04954	4.3
108.02092	1.2
108.05750	0.8
109.06533	1.9
110.03661	3.8
110.07191	1.6
111.04471	1.9
115.05448	1.7
116.07133	1.2
117.03381	2.1
119.04943	3.5
120.08100	4.3
121.06505	5.8
123.04423	1.8
123.08083	1.4
124.05230	1.0
125.06015	1.9
129.10239	2.2
131.04950	1.0
133.02863	1.6
133.06450	2.5
134.03621	0.8
135.04393	2.1
136.05188	2.1
137.05981	5.8
138.03146	1.8
138.34657	0.7
141.07083	0.7
142.02615	2.7
145.02847	4.1
146.03598	1.6
147.04390	3.2
149.02382	0.8
149.05969	2.0
151.03882	1.4
151.07550	5.9
153.05473	4.7
153.07034	1.1
161.06000	2.3
163.03954	2.0
164.04691	3.1
165.05440	1.0
165.07089	0.8
166.08623	0.9
167.07066	15.2
167.08501	1.7
169.06561	0.9
170.07310	0.8
171.06540	3.8
175.07567	1.1
177.05444	3.5
179.07045	41.4
181.04968	87.3
181.06393	3.8
181.08382	5.9
183.08026	1.4
185.09689	1.3
185.16472	6.6
186.16893	4.6
187.07579	0.8
187.14601	0.8
192.04236	2.1
193.08620	2.4
195.08093	2.1
197.06000	1.8
198.06726	2.7
207.06534	100.0
209.05986	2.3
213.09207	4.1
213.15964	3.8
214.16322	3.9
215.07025	0.9
226.06131	1.5
227.06943	1.4
237.00664	1.7
241.08559	5.9
245.11774	1.6
269.08188	4.0
271.05966	0.8
273.11224	5.2
278.56717	1.1
283.09656	0.9
286.08325	1.6
287.57401	1.7
301.10690	10.4
318.11041	0.9
329.10120	1.2
333.13315	24.5
334.14157	0.8
355.11209	2.2
361.12582	4.4
361.60956	1.2
379.16458	1.2
379.21869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.5
55.01874	2.3
55.05499	1.3
56.05007	1.5
56.96561	1.2
57.03419	1.1
60.04521	1.0
61.02919	0.8
65.03935	3.1
67.05502	7.9
69.03419	1.8
69.07081	5.4
70.06595	14.6
71.01333	2.1
71.04972	2.0
71.51451	1.0
72.08162	8.3
73.02911	1.0
77.41322	1.0
79.05491	4.7
81.03412	8.5
81.07041	1.4
82.04226	1.1
83.04977	1.8
84.04511	2.4
84.08142	8.8
85.02897	3.7
85.06540	1.4
86.09707	9.8
87.10029	1.4
88.95593	0.8
91.05465	3.4
93.03410	1.2
93.07024	3.6
95.04968	19.9
95.08606	2.4
97.02898	3.0
97.06535	33.0
98.97598	3.0
100.70313	1.0
103.05449	1.7
105.04526	1.4
105.07024	3.0
107.04958	3.3
107.08569	1.8
108.02077	2.1
109.02888	2.5
109.06514	1.4
110.07159	2.5
111.04434	2.9
112.08692	1.2
116.07074	1.2
117.03378	1.2
117.06985	1.0
119.04935	1.8
119.08553	1.0
120.08102	4.2
121.06504	2.0
121.10124	1.2
123.04424	14.5
124.05230	0.9
125.02359	1.2
125.05997	7.8
127.07560	100.0
129.10239	3.9
131.04916	2.5
131.08595	1.5
133.06448	1.0
133.10118	0.8
135.04419	4.0
136.07574	1.6
137.05978	5.6
140.04669	7.0
141.05476	1.1
143.08618	1.4
145.02858	3.2
146.03574	1.7
147.04385	2.5
147.45032	0.9
149.05966	3.5
150.06720	1.9
151.03915	42.5
151.05005	3.0
151.07512	2.0
153.05457	2.7
155.07037	37.5
159.04362	1.0
159.11691	1.2
161.02327	3.7
161.05980	1.8
161.09677	1.6
163.03897	11.0
165.05522	1.6
167.07077	5.1
173.02345	8.1
177.05443	4.7
178.06241	6.5
179.07022	3.5
181.05011	2.2
183.06537	78.0
184.07257	2.8
185.16528	1.4
186.16875	1.4
187.11134	0.9
195.06563	2.7
196.07298	3.6
203.68794	0.9
207.06471	1.2
215.07027	13.2
241.08604	2.3
257.08087	1.0
257.74316	1.0
259.09595	3.1
265.93597	0.9
273.11282	1.9
291.12250	15.0
307.08005	1.0
377.71426	1.0
379.13373	6.5
379.21869	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	378.3003
Annotation	Madangolide
Peak:m/z	Relative Intensity
50.08319	0.6
52.56441	0.6
53.03948	0.8
55.05515	10.3
56.96560	3.7
57.07080	2.3
62.90445	0.7
63.19418	0.7
67.05509	5.9
69.07065	2.0
71.08623	1.6
71.53476	0.9
72.08158	100.0
74.09715	0.8
79.05496	6.4
81.07068	7.3
83.26929	0.6
89.06026	1.7
91.05496	3.3
92.93986	0.7
93.07041	6.4
95.08611	4.9
105.07059	1.1
107.08617	4.4
109.10182	1.9
117.07037	0.9
118.08659	52.3
119.08607	2.3
121.10172	3.1
130.01450	0.7
131.08580	1.5
133.08620	0.7
133.10136	1.4
135.11707	2.8
145.10149	1.3
147.11710	1.4
159.11755	0.8
161.13289	0.9
163.14838	1.3
173.04942	0.7
173.13278	1.2
177.16368	0.8
187.14966	0.9
213.08081	1.9
214.38126	0.7
231.09111	2.7
236.09583	0.9
243.21254	2.0
261.22205	4.7
268.56808	0.7
319.19467	0.8
325.20770	1.0
332.29504	5.4
337.20435	8.8
355.21585	12.1
373.22870	1.1
378.23132	3.8
378.29953	6.4
379.29041	0.8
396.24329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
58.15829	0.6
67.05501	0.7
68.05013	0.6
69.03424	1.0
69.07056	1.1
69.50546	3.9
70.06596	9.1
71.06898	0.6
72.08158	4.5
77.97996	0.5
78.43372	0.5
79.05482	0.7
81.03426	0.6
81.07056	0.8
84.04506	1.9
84.08136	4.0
84.70189	0.6
85.02892	0.9
86.09711	4.8
88.03992	0.8
91.05483	4.0
95.08612	0.8
97.02895	1.0
97.06538	1.0
99.04455	0.7
101.31355	0.6
102.05514	0.7
109.06518	0.6
110.07157	1.7
116.07106	0.7
119.08550	0.7
120.08117	3.3
121.06535	0.6
125.05930	0.5
127.07574	1.8
129.10271	2.6
136.07588	1.4
137.05981	1.0
143.11778	0.8
145.10187	0.8
152.05701	0.6
163.03896	0.8
167.07031	1.0
170.36856	0.6
177.05449	1.0
179.06985	1.4
180.10156	0.7
181.04932	3.4
181.06340	0.6
183.06618	1.6
185.04370	0.7
186.63426	0.6
207.06468	3.0
227.05206	1.3
252.42616	0.5
252.82512	0.7
271.04227	1.9
293.09872	2.8
317.10037	1.0
333.13388	1.0
335.06940	1.3
335.11014	25.8
376.40314	0.6
379.09985	100.0
380.10458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.1
56.96570	1.3
57.03427	1.2
57.07080	3.5
60.07779	0.8
67.05503	2.3
68.05829	1.0
69.03405	1.8
69.07056	3.2
69.13871	0.7
70.06583	3.2
71.04981	1.1
71.51810	1.0
72.08145	1.5
76.93270	0.7
79.05452	1.5
81.07063	5.7
82.07398	0.9
83.04984	4.8
83.08619	1.5
84.08141	1.1
85.02895	3.2
85.06531	3.3
86.09696	1.6
91.05475	2.5
93.07059	6.3
95.04971	1.0
95.08620	7.2
96.08961	1.3
97.02866	2.3
97.06531	2.6
98.97565	1.2
99.04437	1.0
100.11264	1.8
105.07030	2.4
106.07388	0.8
107.08598	10.3
109.06512	2.5
109.10177	2.1
111.04448	45.9
111.08076	2.0
113.06046	0.8
117.07001	1.0
119.08572	1.8
120.08892	0.9
121.06519	2.4
121.10139	2.1
123.08055	1.6
125.06007	12.1
125.09636	0.9
127.07545	1.4
133.10153	0.8
135.08095	6.8
135.11711	12.6
137.09662	1.0
137.13264	2.1
138.13646	0.8
139.07549	1.3
145.02882	0.9
145.10144	7.7
153.12793	3.8
157.10170	2.0
158.10431	1.5
161.13258	1.5
162.13608	2.6
163.11174	11.6
164.62221	0.7
168.85033	0.7
171.11705	0.9
173.13222	1.0
177.05452	0.9
179.14320	1.4
180.14662	2.8
181.12247	100.0
182.12599	0.8
197.15248	1.0
199.13307	44.0
269.79712	0.9
378.06601	1.8
378.13455	0.7
378.19339	1.0
378.32388	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	378.2388
Annotation	Ile Val Phe
Peak:m/z	Relative Intensity
55.05515	3.8
56.05022	1.0
56.96563	0.5
57.03433	0.4
57.05820	0.7
60.04550	0.5
61.01158	0.5
65.03941	0.5
67.05486	0.7
69.03423	0.6
69.07070	7.1
69.34886	1.5
69.35313	1.3
70.02972	0.4
70.06593	8.8
71.06908	0.7
72.08156	47.4
74.06084	0.7
79.05505	0.5
81.07063	0.4
83.06128	0.4
84.04506	1.1
84.08143	3.6
85.02921	1.4
86.09708	100.0
87.10049	0.6
91.05478	1.5
93.07032	0.6
95.04946	0.6
98.97588	0.8
101.07188	0.5
103.05474	0.6
104.05347	0.5
105.07035	0.6
106.04948	0.5
107.04955	0.5
109.06557	0.4
110.07161	1.5
111.04471	0.4
112.11194	0.5
116.07092	0.9
116.98619	0.4
119.04919	0.8
120.08112	13.1
120.08959	0.8
121.06561	0.6
121.10052	0.4
129.10239	2.3
131.04950	1.3
133.06412	0.5
136.07579	0.9
137.05986	2.4
140.74289	0.4
145.02869	0.9
147.04634	0.4
149.06050	0.7
151.07573	0.5
161.05977	0.9
164.07385	1.1
166.08633	6.4
167.07051	1.6
177.05513	1.3
179.07014	2.2
181.04953	4.7
182.05379	0.5
185.16498	47.4
186.16765	0.6
187.14543	1.2
188.07097	0.6
197.05931	0.4
197.12747	0.5
207.06537	5.3
213.15984	28.1
215.13954	0.5
233.16600	1.6
261.15918	0.7
265.15424	3.8
279.17120	1.1
288.63229	0.4
301.10602	0.6
302.86063	0.4
333.13458	0.9
355.11197	0.7
361.10660	0.7
378.19153	0.7
378.23575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01871	1.9
55.05511	14.1
56.05027	4.7
56.40685	1.4
56.96571	1.5
57.05815	1.6
57.07080	1.7
58.99581	2.6
65.03931	1.7
67.05509	8.7
69.03432	1.8
69.07073	7.1
70.02943	1.8
70.06590	23.4
70.76549	2.9
71.05005	12.7
71.06924	2.5
71.08629	4.5
72.08160	100.0
73.01149	12.9
74.00671	2.2
75.02704	1.5
76.02237	2.1
79.05497	24.9
81.07060	14.0
83.05001	1.7
83.08636	1.9
84.04517	2.6
84.08156	12.5
85.01112	7.4
85.02936	3.5
86.00681	3.0
86.09711	97.0
87.02690	3.6
87.04469	4.6
88.04002	19.0
91.05482	13.0
93.07051	39.2
94.07737	1.6
95.04965	2.6
95.08608	15.6
97.01121	2.0
97.06525	1.6
99.02679	9.8
99.04461	10.0
103.05486	1.8
105.00047	1.9
105.07059	9.2
107.08574	2.4
109.10155	2.8
110.07169	3.8
111.02634	2.6
113.04235	4.0
116.07119	1.8
117.07021	6.0
119.08574	8.4
120.01157	3.0
120.08112	90.7
121.10149	31.0
122.02749	10.5
123.02646	6.8
123.08068	2.5
129.10252	7.5
131.08586	1.8
132.01117	2.3
137.04208	6.3
137.05965	2.8
140.14409	3.5
145.02791	2.0
146.06001	1.7
147.08037	3.6
151.07544	2.1
155.08908	17.5
159.11670	3.6
161.13243	3.2
163.04010	1.9
166.08626	8.1
167.08932	3.5
175.14845	4.5
177.05443	2.2
181.84488	1.3
185.13261	1.9
185.16493	47.7
188.34286	1.4
193.10471	18.9
198.13170	1.6
203.14278	4.1
207.12080	2.1
213.16000	29.5
219.15016	22.6
221.15347	12.8
227.11002	14.3
233.16521	2.8
235.11513	3.6
237.13115	5.0
239.16501	1.8
244.13669	47.8
247.14502	11.0
253.12593	15.4
255.14220	7.5
265.15356	3.3
279.17020	10.3
342.17346	37.9
360.18433	25.9
372.98965	1.6
378.17865	6.8
378.22519	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1662
Annotation	Asp Pro Phe
Peak:m/z	Relative Intensity
55.05502	0.6
56.05041	1.0
59.28901	0.3
67.05513	0.4
68.05033	0.5
69.03423	0.6
69.07072	1.0
69.59822	0.7
69.60233	1.6
70.02950	1.0
70.06594	100.0
71.06932	1.3
72.08163	3.8
74.06077	0.4
79.05506	0.5
81.03427	0.9
81.07069	0.8
84.04501	0.8
84.08153	2.5
85.02930	0.7
85.08516	0.4
86.09710	5.4
88.03995	7.6
91.05512	1.1
93.07076	0.3
95.04956	0.3
97.02912	0.3
98.06059	0.6
99.63351	0.3
102.05540	0.3
103.05463	0.8
104.05315	0.4
107.04972	0.6
110.02422	0.6
110.07162	1.8
111.04482	0.4
112.14721	0.3
115.48824	0.3
116.07084	2.1
119.08488	0.4
120.08111	17.1
121.08472	0.6
125.07121	7.1
129.10272	1.6
130.06541	1.9
131.04973	0.6
133.03207	0.4
135.04431	0.4
136.07605	1.2
137.06024	1.0
141.10245	0.4
146.06064	0.7
150.05760	0.7
152.07111	1.2
156.07713	0.4
158.06015	0.4
166.08652	7.2
167.08174	3.0
168.06558	0.8
171.07684	0.6
176.07097	0.5
177.05461	0.7
178.04962	0.5
181.08618	0.7
185.09218	24.1
195.07729	0.6
196.06099	2.8
199.09680	0.8
201.12375	3.1
204.06590	0.8
213.08704	14.4
213.10663	0.8
215.14151	0.5
227.11816	2.3
229.11868	0.8
235.10866	0.6
247.11263	0.6
263.13916	14.3
264.14578	0.4
279.13531	0.5
301.11884	5.2
343.12900	3.9
343.16113	0.4
360.15643	2.7
378.16620	8.5
379.10095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1662
Annotation	Asp Pro Phe
Peak:m/z	Relative Intensity
55.05502	0.6
56.05041	1.0
59.28901	0.3
67.05513	0.4
68.05033	0.5
69.03423	0.6
69.07072	1.0
69.59822	0.7
69.60233	1.6
70.02950	1.0
70.06594	100.0
71.06932	1.3
72.08163	3.8
74.06077	0.4
79.05506	0.5
81.03427	0.9
81.07069	0.8
84.04501	0.8
84.08153	2.5
85.02930	0.7
85.08516	0.4
86.09710	5.4
88.03995	7.6
91.05512	1.1
93.07076	0.3
95.04956	0.3
97.02912	0.3
98.06059	0.6
99.63351	0.3
102.05540	0.3
103.05463	0.8
104.05315	0.4
107.04972	0.6
110.02422	0.6
110.07162	1.8
111.04482	0.4
112.14721	0.3
115.48824	0.3
116.07084	2.1
119.08488	0.4
120.08111	17.1
121.08472	0.6
125.07121	7.1
129.10272	1.6
130.06541	1.9
131.04973	0.6
133.03207	0.4
135.04431	0.4
136.07605	1.2
137.06024	1.0
141.10245	0.4
146.06064	0.7
150.05760	0.7
152.07111	1.2
156.07713	0.4
158.06015	0.4
166.08652	7.2
167.08174	3.0
168.06558	0.8
171.07684	0.6
176.07097	0.5
177.05461	0.7
178.04962	0.5
181.08618	0.7
185.09218	24.1
195.07729	0.6
196.06099	2.8
199.09680	0.8
201.12375	3.1
204.06590	0.8
213.08704	14.4
213.10663	0.8
215.14151	0.5
227.11816	2.3
229.11868	0.8
235.10866	0.6
247.11263	0.6
263.13916	14.3
264.14578	0.4
279.13531	0.5
301.11884	5.2
343.12900	3.9
343.16113	0.4
360.15643	2.7
378.16620	8.5
379.10095	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00810	0.5
55.05503	2.7
56.96543	1.0
57.07064	2.3
67.05510	4.6
69.07076	5.4
70.89717	1.4
73.88401	0.5
75.83566	0.5
77.00910	0.8
79.05486	2.0
80.59845	0.6
81.07066	15.1
83.08633	3.5
91.05518	1.2
93.07036	2.6
95.04982	0.8
95.08620	19.0
95.99972	0.6
97.10155	2.2
101.00896	1.3
105.07011	3.2
106.05290	0.6
106.99341	0.6
107.08625	4.0
109.10175	7.0
111.11737	0.9
115.05490	0.9
117.07014	1.2
119.01922	2.8
119.08596	2.7
121.10130	3.1
123.11717	5.3
128.06198	1.4
129.06992	5.5
131.01901	0.7
131.08592	2.9
132.10271	0.8
133.10104	2.6
135.04420	0.8
135.11681	2.3
137.13272	6.4
141.06989	2.3
142.07791	8.8
143.01945	0.9
143.08571	5.7
144.09459	0.6
145.10182	3.1
147.11711	1.4
149.13258	2.5
151.14871	1.5
155.08556	4.2
156.09372	3.2
157.10143	44.3
158.10872	1.9
159.11684	5.3
161.13252	1.2
163.03940	2.7
163.14873	1.3
167.07033	2.2
169.10144	4.8
171.11710	29.8
173.02953	0.9
173.11758	1.3
173.13275	21.0
174.13637	0.7
175.14842	0.9
179.17963	0.6
181.10120	0.9
182.10934	0.9
183.06493	0.7
183.11740	6.6
185.13347	3.6
187.14914	3.0
191.17981	1.3
195.06566	2.6
195.11760	1.4
195.81129	0.6
197.13303	7.6
199.14809	4.9
201.16451	2.0
205.19504	0.8
209.13278	1.8
210.14043	1.4
211.14828	6.1
213.16382	3.6
222.61609	0.6
223.06096	1.7
223.14865	1.1
225.16393	8.8
227.17909	2.0
237.16330	0.7
239.17989	3.2
241.19699	0.7
251.18005	0.7
253.19481	3.0
267.21246	0.9
279.21185	0.6
281.22699	0.8
293.22464	1.0
315.57050	0.6
321.25772	0.9
359.18231	0.6
376.48462	0.7
377.12573	4.8
377.32059	100.0
378.06656	1.2
378.32306	5.0
395.03000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05511	14.2
56.34851	1.1
57.03439	1.4
57.07059	4.3
65.03923	1.3
67.05510	34.0
69.07073	26.2
69.67155	2.0
69.67560	4.9
71.04980	3.0
79.05070	1.7
79.05495	18.4
81.07059	54.0
83.04985	1.9
83.08623	10.3
84.08105	1.2
85.06528	3.5
91.05491	19.4
93.06496	1.4
93.07051	24.7
95.04967	4.0
95.08614	46.5
97.06550	7.3
97.10169	6.6
98.21490	2.4
99.08104	1.5
105.07032	15.7
107.08604	19.3
107.87840	1.1
109.06479	2.6
109.10159	21.4
111.08070	1.9
111.11684	2.0
115.05450	1.6
117.07017	2.9
119.08593	18.8
121.10151	19.0
123.08056	1.5
123.11717	13.4
128.06178	1.7
129.07031	6.7
131.08554	8.9
133.10138	21.5
135.08066	2.4
135.10724	1.6
135.11699	18.6
137.09624	2.7
137.13255	8.6
141.06956	1.6
142.07787	7.2
143.08583	7.8
145.10144	9.8
147.11700	8.6
149.09647	2.8
149.13284	9.5
151.11192	2.6
151.14824	2.4
153.01990	1.0
153.09106	1.6
153.12778	2.9
155.08554	2.8
156.09370	4.3
157.10136	47.6
158.10899	3.1
159.11707	10.7
161.09645	2.4
161.13293	3.2
163.11150	3.0
163.14857	6.6
165.12741	1.4
167.07153	1.3
169.10126	4.7
171.10274	2.3
171.11702	32.9
173.13264	25.5
175.11118	1.8
175.14775	3.1
177.16399	3.5
179.10658	1.1
182.08214	1.3
183.11716	6.3
185.13261	6.9
186.52747	1.2
187.14830	5.3
189.16414	2.9
191.17940	2.1
195.11732	1.6
197.13284	8.9
199.14827	6.2
201.16342	3.0
203.17938	1.9
207.17506	1.8
210.14087	2.1
211.14934	6.7
213.16380	6.9
215.12715	1.8
221.19037	3.1
224.05934	1.2
225.16420	8.0
227.17946	2.2
239.17940	3.4
241.19492	2.1
249.18628	1.2
253.19547	3.5
263.23709	1.8
269.22668	4.4
281.24878	1.5
287.23758	9.6
300.83975	1.2
305.24756	40.1
315.22964	7.8
321.25742	1.7
323.25803	21.0
334.65439	1.3
341.26678	1.8
358.09662	1.4
359.21860	5.0
377.23056	69.7
377.32037	100.0
378.32568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.23
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.05495	1.7
57.07068	0.8
65.03962	0.4
67.05503	4.5
69.07067	3.7
69.34125	1.2
69.34538	2.2
71.04994	0.5
71.08618	0.5
79.05494	2.4
81.07063	5.9
83.04972	0.6
83.08614	1.5
91.05478	2.5
93.07036	4.2
95.04919	0.6
95.08613	6.2
97.06527	0.8
97.10187	0.8
98.20783	0.8
105.07026	2.1
107.08596	2.8
109.10134	3.2
111.11756	0.6
117.07017	0.5
119.08553	1.8
120.08213	0.5
121.10159	2.1
123.11723	1.5
128.45007	0.5
129.07011	0.9
131.08586	1.9
133.10126	2.1
135.11682	2.0
137.13268	1.7
141.86917	0.5
142.07777	1.5
143.08545	1.1
145.10121	1.6
147.11667	1.3
149.13269	0.8
153.12717	0.6
155.08525	0.8
156.09380	0.7
157.10144	6.8
159.11673	1.8
163.14876	0.7
169.10133	0.9
171.11696	5.0
173.13261	3.6
183.11714	1.3
185.13197	1.2
187.14809	0.8
191.17966	0.5
193.88188	0.4
197.13295	1.5
199.14871	1.0
201.16371	0.7
209.11432	0.6
211.14845	1.0
213.16373	0.6
225.16441	1.1
253.19649	0.7
269.22696	0.8
287.23703	1.3
305.24750	5.1
315.22910	9.8
323.25778	2.4
350.05777	0.5
359.21936	8.3
377.22995	100.0
377.31784	17.5
378.23309	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.05521	6.3
57.07063	2.7
61.76228	0.9
65.03936	1.1
67.05507	21.3
69.07070	17.9
70.06603	1.2
71.04982	2.3
71.08610	1.0
73.63892	0.9
79.05505	13.6
79.22020	1.0
81.07063	36.7
83.04968	2.1
83.08614	7.2
84.08148	1.1
85.06549	1.8
91.05486	9.4
93.07052	17.8
95.04984	1.9
95.08612	40.1
97.02902	0.9
97.06558	4.1
97.10153	4.3
98.21639	2.0
105.07038	8.9
107.04914	0.8
107.08597	12.8
109.06535	2.0
109.10153	18.9
111.08067	2.3
111.11711	2.3
117.07015	1.4
119.08583	10.8
121.06508	2.4
121.10143	15.3
123.08079	1.0
123.11708	11.5
128.06274	1.6
129.07013	5.9
131.08583	6.8
133.10141	10.0
135.08060	2.1
135.11694	10.1
137.05942	1.5
137.09630	1.3
137.13258	8.6
141.07024	1.7
142.07771	9.7
143.08580	7.9
145.10110	6.9
147.11693	4.5
149.09608	1.5
149.13229	5.3
151.11165	1.1
151.14819	2.1
153.09102	1.3
153.12799	1.7
155.08537	3.8
156.09378	4.3
157.10135	43.8
158.10924	2.2
159.11705	7.1
161.13301	4.5
163.14822	4.1
165.12869	1.1
169.10135	3.8
171.11699	30.9
173.13277	20.9
174.79251	0.9
175.11079	1.4
175.14815	2.3
177.16483	1.2
179.14230	1.1
181.10152	1.6
181.12225	2.4
182.10889	1.5
183.11697	5.3
185.13290	5.1
187.14880	4.3
189.16414	1.1
191.17995	2.9
195.11693	1.7
197.13219	9.1
199.13243	1.7
199.14861	5.7
201.16391	2.4
209.13374	1.8
210.14117	1.2
211.14841	6.5
213.16429	4.9
221.11819	1.8
221.19135	1.4
224.66353	0.9
225.16417	6.8
227.17989	2.9
227.70857	1.0
239.17970	2.9
242.07631	0.9
245.22617	2.1
253.19566	1.9
263.23853	1.7
267.21033	1.6
269.22705	2.7
285.19382	0.9
287.23712	5.7
305.24774	20.1
322.86185	1.2
323.25864	8.9
328.69409	1.0
377.32040	100.0
378.32693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03949	1.8
55.01864	0.9
55.05505	0.3
56.05032	0.6
57.03444	6.3
59.04991	0.6
61.02928	2.7
63.44541	0.3
66.52014	0.3
69.03433	12.6
70.06597	5.3
70.79433	0.5
70.79763	0.5
71.01359	2.6
71.04994	2.9
72.08134	1.2
73.02904	1.7
74.53854	0.3
75.04474	2.1
81.03419	3.1
81.07042	0.5
84.04446	0.5
84.08120	1.4
85.02894	0.6
86.09719	2.6
88.03970	0.4
91.05444	0.6
98.71598	0.3
99.04456	4.9
104.05286	0.7
110.07132	0.6
116.07072	0.8
117.05512	0.8
119.04923	0.4
120.08099	2.7
127.03854	0.5
127.08692	0.8
129.10233	0.5
130.06497	0.6
137.06007	1.8
144.73615	0.3
145.07690	1.8
147.04346	0.5
147.09146	0.3
149.09593	0.4
150.05815	0.4
151.03908	1.6
155.08145	0.8
157.06375	0.6
157.07590	0.4
159.09253	0.4
170.07126	1.5
172.08701	26.2
173.07213	0.3
175.08659	0.5
179.07033	0.8
186.10202	0.6
190.09737	1.4
198.06625	5.7
198.10294	0.5
200.08186	5.1
201.12373	0.6
214.09703	0.4
216.07706	13.2
218.09680	0.6
229.08484	0.6
243.08784	63.3
244.07141	0.6
263.13913	0.4
297.09756	0.4
316.13019	0.4
321.92746	0.3
342.05002	0.3
359.13474	3.0
377.14566	100.0
378.14709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25779	0.2
53.26464	0.3
56.96557	0.7
67.05479	0.3
69.07058	0.3
69.57796	0.2
70.06605	0.3
71.52131	0.3
72.40707	0.3
81.07036	0.5
87.90949	0.2
91.05439	0.3
93.07047	0.3
95.08591	0.5
98.97587	0.5
102.99319	0.3
105.07041	0.4
107.08601	0.4
109.10161	0.3
116.98645	0.3
121.10129	0.3
129.07031	0.4
157.10138	1.5
199.14778	0.3
225.16681	0.3
287.28375	0.3
318.89407	0.2
359.22092	0.6
377.22995	100.0
378.23233	2.6
384.27600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.142
Annotation	Ile-His-OH
Peak:m/z	Relative Intensity
56.05010	0.4
56.82949	0.3
56.96560	0.5
60.04528	1.0
69.03407	0.9
69.75780	1.6
70.06607	1.7
72.08159	1.1
74.06078	1.0
74.22613	0.4
79.55284	0.3
84.04509	0.9
84.08144	1.1
85.02893	1.2
86.09718	3.6
97.02898	1.0
98.97578	1.3
101.00871	0.7
103.05437	0.5
116.07056	0.3
119.01956	0.7
121.31961	0.3
127.03941	0.5
128.98589	0.4
129.10266	0.5
131.04897	0.5
131.83708	0.4
137.06030	0.5
141.19008	0.3
143.01933	0.9
145.03432	1.1
145.04985	0.5
155.01831	0.8
173.02966	1.2
185.02936	0.6
189.12375	0.4
201.12494	0.4
204.06241	0.5
204.90077	0.3
207.05037	0.5
209.13246	0.4
211.83321	0.3
215.03929	0.4
215.13834	0.4
219.01804	0.6
219.13498	0.3
246.10768	0.5
263.09753	1.0
279.07687	0.6
327.86411	0.4
329.10818	0.5
347.11874	1.2
358.54865	0.4
377.14172	100.0
378.14545	1.4
393.10748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0868
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
54.27015	0.3
55.01862	0.5
63.55881	0.3
68.99800	0.6
69.49274	2.1
70.06593	0.3
70.30566	0.3
71.01354	0.6
81.07045	0.4
85.02914	1.8
91.05459	0.4
93.07100	0.4
95.08594	0.6
99.00815	1.7
99.52232	0.3
105.03373	0.5
105.07050	0.5
111.31273	0.3
113.02371	3.7
127.03913	0.6
129.98955	0.3
133.02859	2.0
138.03133	0.4
145.02893	0.4
147.04405	1.9
149.02359	1.6
150.03140	3.3
151.03905	0.7
153.01712	0.5
154.99760	4.7
157.10181	0.5
164.04707	4.5
165.05469	0.9
167.03407	1.5
169.01329	13.6
173.89027	0.4
177.05519	0.5
180.00520	1.6
181.01292	0.5
182.99258	14.1
183.02876	1.2
194.02072	0.6
195.02827	0.6
197.00818	23.4
198.01591	8.9
199.02371	1.7
201.00313	10.1
201.02083	0.8
212.03128	4.7
213.03876	2.4
214.01060	0.5
215.01881	10.6
216.02654	7.6
228.04163	0.6
230.04192	0.9
231.03049	0.4
242.05734	0.5
256.03644	0.6
259.02328	0.4
263.05441	0.6
266.97153	0.3
273.03946	0.4
274.04800	0.6
283.02368	0.4
284.03232	0.6
286.01138	1.1
287.01913	0.5
289.07050	1.1
291.05051	0.5
298.04675	0.6
301.03354	2.4
302.04340	0.5
305.58887	0.6
311.01712	0.9
317.06400	2.1
319.04523	1.0
325.03476	0.4
326.04266	5.8
329.02924	4.3
332.01520	0.6
344.05240	3.0
347.03958	19.2
362.06274	11.0
363.06152	0.4
377.08667	100.0
377.32010	0.9
378.09113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64375	7.0
55.05515	30.8
56.96575	6.6
57.83883	6.6
67.05514	73.5
69.01671	6.1
69.07085	14.0
70.06277	30.9
71.04999	100.0
71.08633	23.8
79.05492	15.6
80.13176	6.6
81.07061	55.7
83.08612	25.2
84.78319	5.4
85.59088	6.6
91.05507	17.4
93.07051	28.5
95.08620	19.8
97.10161	27.2
99.08108	21.7
104.78963	6.1
105.07055	17.2
107.08620	22.3
109.10162	58.0
117.07073	6.3
119.08565	14.3
125.09640	25.1
133.10109	7.9
135.11693	18.0
147.11594	7.4
149.05971	6.9
149.13356	14.8
151.11234	9.2
153.09198	8.6
155.10643	19.6
155.14371	15.1
159.11708	14.5
161.02986	8.4
173.11749	94.7
177.12799	18.4
182.03033	7.1
187.13306	92.2
197.35107	6.4
203.12805	28.1
209.09070	7.6
209.15477	10.4
241.18004	45.1
241.33900	6.4
259.20602	11.9
277.21765	33.6
291.23132	8.8
309.24283	11.4
334.19376	13.4
353.16275	20.5
353.21848	12.6
376.26257	8.2
376.31760	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	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46948	0.5
56.96568	17.4
69.53210	3.1
71.95273	4.2
72.96053	1.2
84.96025	1.2
95.26705	0.4
97.96805	2.2
98.93287	0.4
98.97562	1.2
104.70207	0.5
104.92928	0.5
105.00130	1.0
110.97559	9.7
115.97836	0.6
116.98621	0.8
119.01679	0.6
123.01212	0.7
127.00677	0.6
128.98602	7.4
137.02800	0.9
143.00154	1.5
146.99654	2.7
152.00165	0.7
153.02226	0.6
155.03741	0.9
161.01242	1.4
161.46344	0.5
167.03772	0.5
169.05327	0.6
171.03290	1.4
175.02815	0.7
185.04784	1.0
197.04681	0.6
199.06424	0.7
223.06441	0.5
245.08588	0.5
263.09604	1.7
277.11148	2.1
291.12469	0.6
315.16074	0.6
317.17877	46.5
318.18246	0.9
333.17334	2.1
335.18927	100.0
336.19354	1.8
353.19986	18.8
358.20560	15.8
375.80795	0.7
376.21542	2.8
399.23032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.4
56.96553	1.0
57.03431	0.6
64.17627	0.5
65.03932	6.2
67.05505	0.9
67.89645	0.6
69.03425	1.0
69.07056	1.3
69.32642	3.1
69.33073	1.8
70.06602	6.3
70.93585	0.5
72.08151	2.5
79.05500	1.3
81.07037	1.2
84.04500	1.0
84.08138	6.8
85.02898	1.6
85.04021	1.4
86.09705	5.3
89.03925	1.0
91.05497	2.8
92.05010	3.3
93.07033	1.8
94.06569	1.8
95.04962	0.8
95.07375	1.3
95.08599	1.7
96.08126	3.8
97.02892	1.1
97.06526	0.6
98.97576	1.8
103.05484	1.3
105.07027	1.0
107.04951	1.6
107.08591	1.4
108.08120	5.7
109.06545	0.7
109.10175	0.8
110.07172	1.0
110.09686	7.4
111.04411	0.7
116.04997	2.8
117.03361	1.2
119.04954	0.9
119.08678	0.8
120.04476	7.0
120.08124	7.9
121.06537	0.7
121.10120	0.9
122.06062	3.0
123.04425	0.7
124.07568	0.9
126.09191	0.7
129.10231	2.1
130.06496	1.4
131.04918	1.0
132.08084	3.3
132.10181	0.7
136.07610	4.0
137.05992	3.1
138.05476	1.0
138.09137	7.4
143.11815	0.6
144.04407	3.6
145.02841	1.7
146.06003	1.6
147.04440	0.7
148.03937	100.0
149.05956	0.7
151.03865	1.5
154.08640	1.6
159.09235	1.7
161.05933	1.1
162.05515	5.1
163.03891	1.3
163.07590	0.8
166.05009	16.4
166.08658	19.1
167.07057	5.2
170.06032	1.1
172.03938	19.4
173.01105	0.6
175.07568	1.3
177.05505	2.9
177.16347	0.6
181.05029	0.9
182.09641	0.7
187.08646	1.6
188.07089	1.1
190.04973	7.5
191.07037	0.7
203.07030	0.9
204.06572	29.5
204.08488	1.4
205.09871	1.1
209.63138	0.6
212.09428	0.9
216.11304	2.1
222.07657	1.0
227.11838	2.0
228.10274	1.3
237.00652	1.0
243.11320	0.7
244.10817	2.2
255.11284	14.4
273.12341	11.0
283.10785	13.1
292.40549	0.7
301.11841	73.7
302.12094	0.8
319.12900	3.4
325.11716	1.7
343.12906	18.2
345.16794	0.7
357.05814	0.7
357.14273	1.7
375.14740	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01869	1.1
55.05510	2.3
56.05029	1.5
56.40932	0.2
56.96568	0.4
57.03426	0.6
57.52828	0.3
58.06605	0.2
58.22657	0.2
60.04523	1.2
60.05654	0.3
61.01164	0.3
61.02920	0.4
65.03941	0.4
67.05485	0.4
68.05033	0.3
69.03421	2.6
69.07060	2.2
70.06593	7.5
70.07416	0.3
71.04993	0.6
71.51875	0.3
72.08157	28.1
73.02925	0.8
73.15980	0.3
74.06087	1.7
75.05605	1.8
79.05492	0.4
81.03420	3.2
83.06104	0.7
84.04502	3.8
84.07638	0.4
84.08146	7.8
85.02911	5.4
85.04814	0.3
86.09707	38.6
87.00838	2.2
87.05576	0.8
87.10030	3.7
88.03989	0.9
89.03944	0.3
91.05476	0.9
93.07088	0.4
97.02889	2.3
98.06062	0.6
99.04452	1.0
101.07151	0.7
101.10800	0.3
102.05539	1.4
103.05473	0.4
104.05370	0.3
105.01879	1.1
105.07037	0.4
106.05068	0.3
107.04959	1.1
109.02873	2.7
110.06010	0.3
110.07167	1.8
112.07695	0.3
112.08702	0.5
112.11324	0.3
115.08682	0.5
116.07102	0.9
117.02003	0.2
117.03391	0.3
118.08662	0.5
119.04946	0.6
120.08118	1.0
120.74361	0.3
121.06516	0.5
121.08473	0.3
122.03645	0.4
123.04456	0.5
127.03918	100.0
128.04268	1.0
129.10236	6.3
129.70180	0.3
130.05016	0.5
131.04953	0.7
131.11790	0.3
132.10237	0.4
133.02814	0.3
133.06479	0.3
135.04417	0.6
136.07581	1.0
137.05978	7.8
138.06595	0.2
138.09169	0.4
141.10246	0.4
143.11794	7.8
144.06552	1.2
145.02876	0.8
145.04967	1.8
145.06102	0.5
146.03130	0.4
147.04413	0.6
147.07678	0.7
148.06056	1.0
149.06038	0.5
155.08179	0.5
155.11740	0.4
157.09735	0.8
158.09291	0.3
159.02904	1.7
161.05981	2.3
161.09201	1.3
163.03928	1.3
164.04308	0.4
167.07037	1.3
171.11301	3.4
173.09299	0.4
173.12836	0.6
175.07513	0.6
177.05492	1.9
178.05821	1.6
179.07069	0.3
183.11366	0.3
183.15007	0.4
187.10751	0.7
187.14476	0.5
191.06999	0.6
195.06560	0.7
196.06828	0.8
199.18065	1.3
200.13988	1.2
200.18410	2.2
201.12335	0.9
203.07033	1.3
205.11845	4.8
208.02904	0.2
213.07642	0.4
219.13374	1.9
221.08098	1.0
225.15962	1.2
227.17592	0.8
228.13455	0.7
228.17915	1.3
230.15099	0.4
231.05020	0.7
232.11835	0.5
242.14957	0.7
242.18687	0.3
244.12956	0.8
253.08514	0.3
262.14594	0.9
270.18124	2.9
307.09619	0.3
343.11945	0.5
357.13187	0.3
357.21716	0.5
375.12332	2.7
375.16229	1.0
375.22946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03941	2.4
55.01876	7.6
59.04998	0.9
62.66268	0.7
65.03949	4.7
66.04363	0.8
67.05499	1.8
70.18900	1.6
70.19300	1.0
71.01353	5.5
77.03915	1.5
79.05496	8.9
81.03374	0.9
81.07069	1.7
83.04990	0.7
85.02897	2.0
89.03926	0.8
91.05485	73.3
93.03407	2.3
93.07050	1.8
94.04217	0.9
95.04988	5.7
98.97563	1.3
99.03459	0.6
100.02901	0.8
103.05483	6.6
105.03402	18.0
105.04521	1.5
105.07043	5.6
107.04964	10.3
107.08575	1.1
108.02114	1.2
108.05739	2.5
109.02879	1.6
109.06525	15.3
110.03648	1.1
111.04456	2.2
115.05466	1.1
117.07021	1.4
118.04198	4.4
119.04946	100.0
121.06512	4.6
122.03683	1.0
123.04436	3.6
123.08073	7.4
124.05218	9.1
125.06001	6.6
129.07040	1.2
129.19084	0.7
131.04941	5.2
131.05948	1.2
132.05850	0.7
133.02843	1.7
133.06511	6.7
135.04446	7.7
135.08054	2.4
136.05217	1.7
136.26135	0.8
137.05991	20.8
145.02835	0.9
146.03575	3.7
147.04422	23.8
147.08018	1.1
149.05997	4.9
150.06798	4.7
151.03918	80.8
151.04997	5.8
151.07545	56.5
152.04523	0.8
152.08295	1.5
153.05467	10.9
157.06483	1.2
159.08035	1.7
160.05128	0.9
161.06000	10.7
162.06664	0.9
163.03952	5.1
165.05492	5.8
167.07086	4.3
175.07532	4.3
177.05466	7.0
178.06264	23.2
179.07037	38.8
180.07805	6.2
187.07549	7.5
189.05518	0.9
191.07028	1.1
195.06551	8.5
196.07297	15.2
203.07173	1.7
203.86580	0.8
205.08612	3.4
215.07042	0.7
219.08173	1.2
223.09723	2.5
251.10646	1.6
265.08661	0.8
279.10168	1.7
304.67749	0.7
311.12784	1.0
325.10757	1.1
327.12317	1.7
339.12515	1.1
357.13327	1.9
375.14368	1.4
395.15295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1433
Annotation	Hydroxymatairesinol
Peak:m/z	Relative Intensity
53.03948	2.2
53.38685	1.5
55.01851	2.5
55.05490	3.7
56.05021	3.7
56.96551	2.6
59.00289	1.3
60.04509	2.9
65.03946	3.0
67.05481	1.5
69.03428	2.1
69.07059	3.4
70.06593	35.1
71.04968	1.7
72.08157	12.0
74.06075	2.5
77.03934	1.5
78.04694	3.2
79.05502	10.7
81.03380	1.9
81.07030	3.7
83.04961	1.5
84.04488	5.7
84.08150	19.8
85.02897	3.2
86.09705	30.6
88.03999	2.1
89.03893	1.4
91.05480	28.3
92.05804	9.2
93.07018	3.6
95.04949	4.8
95.08599	1.6
97.02889	2.6
98.97587	5.0
101.91861	1.3
102.05556	2.1
103.05438	4.4
105.07021	4.8
107.04961	16.9
109.02881	2.1
110.07163	8.5
112.08691	1.5
115.05452	6.4
116.07081	3.7
116.98613	2.5
117.03419	1.6
117.07012	3.1
119.04951	22.9
119.08560	2.3
120.05299	12.0
120.06571	1.9
120.08089	8.0
121.06454	4.2
121.10174	2.2
122.03594	1.5
122.05999	2.2
123.04459	8.7
124.05186	3.3
125.05978	2.6
129.05362	1.6
129.10260	7.8
131.04913	7.9
132.08060	2.6
133.02829	2.7
133.06506	2.5
133.10107	1.7
135.04401	3.4
135.07976	1.8
136.05203	2.2
136.07581	1.8
137.05995	16.5
138.09145	3.1
143.04918	5.6
144.95329	1.4
145.02800	3.4
145.06476	3.5
145.10141	1.5
146.03310	1.4
146.05995	3.2
147.04417	19.0
147.08058	1.6
148.04762	9.6
149.02382	2.4
149.06033	2.7
150.05508	1.4
151.03935	8.9
151.04921	2.0
151.07541	8.4
152.04680	4.1
152.07924	2.2
153.05481	7.5
155.06976	1.5
159.04433	3.0
159.09186	4.6
160.05186	3.9
161.06006	12.1
163.03842	3.8
163.07562	2.8
165.05452	4.1
165.06903	2.9
167.07047	100.0
172.05188	1.6
175.03914	20.5
175.07555	15.0
176.04263	17.3
177.05470	8.9
177.16408	2.5
178.05923	4.2
179.07016	7.3
179.08458	2.3
180.07547	2.4
181.04918	2.6
181.06435	1.5
181.08504	1.7
183.08089	1.8
187.18529	1.4
188.07095	10.3
191.06993	6.9
193.06445	1.8
194.07191	1.8
195.08080	1.7
201.12364	1.5
203.07077	13.2
205.06615	3.1
205.09698	5.4
206.07147	1.6
207.06500	35.0
207.08148	2.0
208.04936	2.5
208.06863	44.5
208.08824	2.4
209.06007	1.2
209.09619	2.4
216.11398	1.6
219.08034	3.3
221.06009	3.5
221.08124	2.6
222.06807	2.3
223.07523	3.0
224.08313	1.7
224.31024	1.2
225.09259	1.8
226.15344	1.3
227.07268	1.3
233.05824	1.6
234.06645	1.3
235.07545	5.0
237.09114	3.7
239.07019	2.6
240.07968	2.1
241.08473	1.8
246.14938	3.1
247.07469	2.3
250.06157	1.8
251.06880	2.9
253.08527	2.6
255.06514	1.8
255.10086	1.8
262.11914	6.5
263.06995	3.3
264.07632	3.0
265.08536	2.5
267.10150	3.2
269.03296	1.8
269.08240	1.7
269.11588	1.9
281.08044	4.1
283.09598	3.2
287.04431	1.5
292.07108	2.3
293.08038	2.0
295.09659	5.4
296.10229	1.6
297.11328	7.0
303.18915	1.4
307.09613	3.5
315.12259	3.0
324.09836	3.7
325.10678	5.5
327.12158	4.9
329.13892	2.3
330.10880	1.9
339.12277	10.8
343.12183	2.0
345.13348	4.5
357.13339	9.6
375.14761	10.2
375.19470	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83844	0.7
53.03925	1.0
55.01876	1.2
55.15314	0.7
56.96562	0.7
61.02947	0.8
69.03423	2.0
70.06587	2.4
70.29735	2.7
72.08145	2.5
73.02907	1.0
75.41101	0.6
79.05487	1.7
81.03410	0.8
82.30784	0.7
84.04500	0.7
84.08147	2.0
85.02909	3.3
86.09711	3.4
91.05490	4.9
94.04183	2.9
97.02864	1.4
98.21555	0.8
103.05499	1.4
107.04950	1.1
115.05456	2.0
117.07063	1.2
119.04932	2.5
121.06507	1.8
122.03645	5.7
127.03915	2.5
131.04918	3.3
132.05714	0.8
132.10199	0.7
133.02827	0.8
133.06532	1.2
136.05246	0.8
137.05984	100.0
138.06364	1.2
143.04968	0.9
145.06448	1.4
146.03615	1.0
147.04451	5.0
147.07817	0.8
149.06009	3.5
150.06790	1.9
151.07571	1.7
159.04449	1.3
159.07872	0.9
160.05194	2.1
161.04645	1.2
161.05986	24.1
162.06717	2.6
163.07593	1.9
167.07124	1.0
172.05185	3.2
173.05931	0.8
175.07567	8.0
177.05446	1.8
179.08614	1.1
187.07205	0.7
188.04681	2.0
191.07039	4.6
203.07040	25.3
205.06572	1.3
207.07967	1.5
209.08067	1.1
211.07422	1.0
219.08179	1.0
221.06026	1.9
221.08086	15.7
223.07530	0.8
225.09064	1.2
233.06055	1.2
233.08084	1.7
234.06772	0.9
237.09128	1.1
239.10643	1.0
249.09114	0.9
253.08641	2.6
263.07190	0.8
265.08600	2.8
267.10294	2.7
269.08008	1.0
277.08557	2.6
285.11203	2.9
294.08960	1.0
295.09702	0.9
297.11368	3.7
309.11288	4.7
311.12778	0.8
315.94971	0.7
325.10751	0.8
327.12329	1.6
343.11844	3.7
345.13403	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01882	1.4
55.05531	1.9
56.05045	2.1
56.96574	0.7
57.03443	0.9
60.04545	1.3
61.02929	0.9
66.22166	0.6
69.03449	3.6
69.07061	3.1
69.72419	0.6
69.95622	2.6
70.02966	0.8
70.06600	10.5
70.42760	0.6
71.04998	0.8
72.08162	30.5
73.02921	1.5
73.08527	0.8
74.06091	2.1
75.05617	1.5
76.04032	0.6
79.05513	2.1
81.03426	4.5
81.07052	0.9
84.04513	4.4
84.08154	11.2
85.02911	5.9
86.09714	40.6
87.00829	1.4
87.05641	1.3
87.10066	2.5
88.03986	1.4
91.05484	4.4
91.60007	0.6
94.04185	2.1
95.04981	0.6
97.02898	2.9
98.21488	0.8
99.04445	1.1
101.07150	1.2
102.05540	1.9
103.05481	2.3
105.01876	0.9
105.07052	1.8
106.14886	0.6
107.04960	1.9
109.02894	3.1
109.06515	1.4
110.07159	2.3
111.04453	0.9
112.08699	1.1
115.05505	1.6
116.07077	1.2
117.03358	1.0
119.04955	3.5
120.08115	1.4
121.06551	3.0
122.03665	6.7
125.05968	1.1
127.03929	100.0
128.04187	0.7
129.10252	8.0
131.04930	3.8
131.11751	0.7
131.43460	0.6
132.10204	1.0
133.02887	1.0
135.04402	1.2
136.07619	1.3
137.05989	87.9
138.06360	1.0
141.10139	0.8
143.11816	7.1
144.06607	1.4
145.02905	0.8
145.04956	1.4
145.06432	1.1
147.04445	5.0
147.07762	1.0
148.06067	0.9
149.05995	3.3
150.06798	1.1
151.03896	0.8
151.07558	1.4
152.07137	0.8
153.05461	1.1
155.11790	1.0
157.09721	1.3
159.02902	1.8
159.04401	1.2
160.05263	1.1
161.05997	23.1
161.09201	1.2
162.06772	1.8
163.03935	1.4
163.07527	1.0
165.05579	1.1
165.06963	1.2
167.07014	2.6
171.11259	4.6
172.05151	2.2
173.09264	0.7
173.12909	0.9
174.06749	0.6
175.07547	7.6
175.10765	1.1
177.05508	3.9
178.05807	2.5
179.07018	1.5
187.10641	0.8
188.04671	1.2
191.07074	4.1
191.08516	1.1
193.06522	0.7
194.07126	0.7
195.06529	1.7
196.06836	0.9
199.18097	1.6
200.14014	3.3
200.18269	2.1
201.12309	1.8
203.07048	21.0
205.06461	1.0
205.11852	4.2
206.07191	0.7
207.08067	1.3
219.08022	1.0
219.13376	1.7
221.06062	1.5
221.08102	14.2
225.09044	1.4
225.15929	1.6
227.17493	0.8
228.13347	1.2
228.17831	1.3
233.08069	1.5
234.06781	0.9
235.07549	0.7
237.09120	1.0
249.09171	1.0
251.07108	1.0
253.08543	2.3
262.14374	0.8
265.08582	2.4
267.10147	1.9
270.18042	2.7
277.08502	1.7
285.11145	2.5
294.08563	0.9
297.11130	2.6
309.11169	3.2
325.10529	1.1
327.12326	1.2
339.12030	0.9
343.11844	4.2
345.13135	2.7
357.12988	1.1
357.21484	1.5
358.19794	0.7
375.12234	5.1
375.16125	2.1
375.23032	2.4
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	Casticin
Peak:m/z	Relative Intensity
50.07662	0.3
55.57224	0.2
68.99787	2.1
69.03069	0.3
70.66062	0.5
70.66405	0.4
72.85257	0.2
73.33747	0.3
93.44209	0.2
94.33695	0.3
105.07024	0.4
107.04945	0.9
121.06517	0.5
123.04442	0.3
123.45995	0.3
125.02451	0.3
131.04897	0.4
132.05620	0.3
133.06490	0.9
135.04440	0.3
136.01469	0.3
137.05972	0.4
139.00267	1.2
141.01884	0.3
145.06480	0.3
147.04408	1.0
148.05211	0.5
149.02388	0.4
149.05981	0.5
151.03888	0.3
152.04625	0.3
153.01868	1.9
154.02585	0.4
160.05186	0.8
161.05963	2.0
162.03122	0.3
162.06747	1.3
163.03918	2.8
164.04700	2.0
165.01857	0.5
165.09116	0.5
166.99748	1.0
167.03413	0.9
167.07025	1.4
168.00536	1.0
169.01311	4.0
175.03914	0.4
177.05486	2.4
178.02602	0.3
178.06247	5.0
179.03433	0.9
179.07010	1.2
181.01372	0.7
181.04994	0.8
182.02110	1.3
183.02922	1.4
185.00818	2.1
186.01598	0.5
187.03937	0.4
191.07047	1.7
192.07796	1.2
193.01419	0.3
193.08615	3.6
197.04401	0.7
197.06071	0.4
198.01637	1.3
199.02353	1.0
200.03140	0.4
201.05542	0.4
207.02945	0.8
211.04001	0.4
213.05449	0.3
218.05843	0.3
225.05536	0.7
228.04144	0.4
229.04922	0.3
239.07008	0.4
246.05081	0.4
253.04912	0.7
255.06625	0.5
256.03690	0.4
257.04477	1.3
258.05215	0.4
259.02438	0.8
260.02966	0.3
261.04053	0.3
265.05002	0.3
266.05902	0.3
267.06537	0.6
268.07239	0.4
269.04453	0.5
270.05380	0.3
271.05951	1.6
281.04498	1.0
283.05954	0.6
284.03223	0.7
284.06625	0.3
285.03976	2.1
285.07449	0.7
287.01852	0.5
287.05573	0.5
289.07150	0.5
295.02307	0.7
295.05978	0.6
296.03403	0.5
296.06818	2.6
297.03906	0.4
298.04739	0.5
299.05478	3.5
300.06363	0.6
301.03329	0.3
301.07126	0.8
302.04309	0.9
309.03830	0.5
311.05469	1.9
312.02728	0.6
312.06299	0.4
313.03351	1.9
313.07089	1.9
314.04205	1.9
314.07855	0.9
315.01416	0.5
315.08533	0.8
316.05728	0.5
317.06531	4.5
323.05469	0.4
324.06281	2.4
325.06711	0.3
326.04321	0.4
326.07895	0.5
327.05002	6.0
328.05820	0.8
329.06577	7.9
330.03622	1.0
331.08179	0.6
339.94333	0.3
341.06610	0.9
342.07355	5.9
343.07925	0.6
344.08887	0.4
345.06052	12.9
359.07605	0.8
360.08408	6.2
375.10733	100.0
376.11026	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1441
Annotation	7'-hydroxymatairesinol
Peak:m/z	Relative Intensity
51.02348	0.6
53.03943	0.9
65.03923	0.8
69.62386	0.6
70.06578	1.2
71.11999	1.5
72.08138	0.7
78.04702	0.6
79.05507	1.9
81.07084	0.6
83.54052	0.6
84.04528	1.4
84.08155	1.2
86.09701	3.3
87.10036	1.2
91.05484	2.2
93.07047	0.7
94.04200	2.6
95.04964	0.9
101.25237	0.6
103.05453	0.8
105.07053	0.7
107.04975	4.5
109.06505	1.2
115.05453	2.3
119.04966	0.7
121.06496	1.2
122.03657	7.2
123.04456	2.1
124.05232	1.0
125.05939	0.8
131.04955	1.9
132.10236	1.1
137.05989	100.0
138.06258	0.8
138.09218	0.6
143.04948	1.4
145.06519	1.2
147.04390	0.7
149.05998	1.9
151.03880	0.7
151.07564	1.4
153.05461	2.3
157.00716	0.5
157.47957	0.6
159.04443	0.9
160.05174	1.1
161.05989	6.8
163.07584	0.7
165.06924	0.7
167.07048	22.4
172.05183	1.0
175.07564	3.8
177.05611	0.8
179.07120	0.9
179.08589	1.6
181.06471	0.8
183.06367	0.7
187.07567	0.7
191.07086	4.5
193.06567	1.1
194.07158	0.7
195.08046	1.1
197.05907	0.6
198.13161	0.6
203.07104	3.9
205.06552	1.4
206.07298	0.9
207.08176	1.7
209.06052	0.6
209.08061	0.8
210.06825	1.2
211.07629	1.0
217.06377	0.8
219.08070	1.4
221.06015	2.2
221.08168	1.7
222.06851	1.0
223.07582	1.1
224.08118	0.7
225.09119	1.4
233.06046	0.8
234.06859	1.4
235.07562	2.6
235.98898	0.6
237.09113	1.6
239.07019	1.0
240.07623	0.7
241.08739	1.0
248.08446	0.7
249.09123	1.4
250.06232	0.6
251.07117	1.2
252.07770	1.1
253.08606	3.7
262.06180	0.9
263.06970	1.2
263.84930	0.7
264.07779	1.1
265.08630	4.0
267.06738	0.6
267.10239	2.6
270.08780	0.6
277.08643	2.1
279.10269	1.2
283.09735	1.2
284.10303	1.1
285.11237	2.3
293.08078	0.7
294.09042	1.1
295.09616	1.9
297.08246	0.7
297.11124	3.2
299.12692	0.9
307.09500	1.1
309.11194	4.5
315.12454	1.8
324.09940	0.8
325.10681	0.8
327.12320	1.8
339.12350	2.7
345.13293	3.4
357.13077	1.2
375.14227	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89377	0.2
53.03947	1.0
55.01876	0.7
55.05515	2.3
56.05035	1.3
56.96580	0.2
57.03438	0.4
57.05837	0.4
59.93641	0.2
60.04206	0.2
60.04522	1.1
61.02933	0.4
62.13392	0.2
62.27905	0.2
64.90796	0.2
67.05492	0.3
67.56390	0.3
69.03434	3.3
69.07070	2.7
70.06592	6.0
70.46881	0.8
70.82471	0.3
71.01387	0.3
71.04990	0.5
71.06913	0.2
72.08158	26.8
73.02914	0.4
74.06083	0.8
75.05602	1.6
81.03419	2.9
83.06100	0.5
83.18119	0.2
84.04504	3.4
84.08143	6.4
85.02435	0.4
85.02911	5.3
86.03261	0.2
86.09708	35.7
87.00816	1.7
87.04496	0.3
87.05598	0.7
87.10036	4.5
88.04002	1.2
91.05484	1.2
93.58874	0.2
96.12910	0.2
97.02893	1.9
98.06063	0.3
98.20828	0.3
98.56609	0.2
98.97570	0.4
99.04471	1.0
100.07609	0.3
101.07159	0.7
102.05537	1.0
105.01873	0.7
105.07047	0.4
107.04990	0.7
109.02889	3.3
110.06102	0.3
110.07179	1.5
112.08743	0.4
113.07142	0.3
115.08701	0.5
116.07100	1.1
117.01852	0.3
117.03322	0.4
118.08672	0.4
119.04928	0.5
120.08129	1.1
121.06429	0.2
125.45996	0.2
127.03919	100.0
128.04282	0.6
129.10251	4.6
129.11142	0.5
130.05040	0.8
130.06525	0.3
130.10631	0.3
130.82761	0.2
131.05072	0.3
131.11855	0.3
132.10225	0.3
133.02811	0.4
136.07616	0.8
137.05978	4.1
140.04686	0.2
143.11803	7.5
144.06544	0.7
145.02863	0.8
145.05002	0.9
146.03302	0.4
147.04405	0.4
147.07675	0.6
148.06081	1.1
149.06158	0.5
150.11609	0.2
155.08195	0.4
155.11763	0.4
156.07770	0.3
157.07532	0.3
157.09734	1.0
159.02853	1.6
159.07738	0.3
161.05997	0.7
161.09259	1.0
163.03969	1.1
166.08606	0.3
167.07033	1.0
171.11292	4.9
173.09265	0.4
173.12874	0.7
175.10754	0.4
177.05498	1.7
178.05855	0.8
179.06973	0.2
183.11372	0.3
187.10785	0.5
187.14441	0.5
191.07021	0.5
195.06557	0.5
196.06882	0.5
199.18074	2.5
200.13985	0.9
200.18423	2.9
201.12399	0.8
203.06844	0.4
203.13914	0.5
205.11839	4.9
213.07559	0.3
219.13490	1.4
221.08121	0.5
225.15982	0.9
226.11852	0.3
227.10204	0.4
227.17572	1.1
228.17883	1.7
231.05061	0.6
232.11856	0.5
242.15012	0.8
244.12944	0.4
254.15057	0.3
261.14557	0.7
262.14536	0.8
270.18161	2.1
288.63541	0.2
297.10992	0.3
343.11942	0.4
357.21490	0.8
375.12454	2.6
375.16992	1.2
375.23383	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	37.1
61.28863	8.5
62.06098	18.8
66.65826	8.8
67.05500	16.1
69.07066	23.4
70.06596	15.3
71.08612	10.0
71.52178	13.3
72.08166	11.6
78.76827	8.9
79.05503	20.2
81.07052	21.7
82.06573	12.0
83.04967	10.4
83.70185	8.7
84.08162	16.8
85.04794	10.0
87.60643	8.0
90.78396	9.0
91.05480	14.7
93.07024	12.2
95.08621	16.2
98.97620	14.5
100.07649	10.7
100.11261	100.0
105.07017	9.7
107.08578	14.2
111.04433	14.5
111.73184	9.3
121.06577	11.3
128.07019	9.7
134.12552	13.4
134.99806	9.2
137.06023	54.8
138.06328	22.5
168.17505	21.6
177.05499	12.8
182.15421	38.4
185.20137	11.5
197.67445	8.7
209.16422	13.8
210.14957	32.5
227.17656	9.8
243.14502	10.2
261.20697	21.9
310.75842	36.4
311.26242	16.4
338.26895	15.7
345.13815	22.4
351.20285	32.0
365.28754	10.5
374.19690	20.5
374.24112	10.2
374.29141	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
67.05497	1.1
69.07063	0.6
69.20747	0.6
69.21076	5.2
78.59105	0.7
79.05457	0.7
81.07044	0.9
83.08627	1.0
86.09685	0.6
88.07642	1.1
95.08568	0.8
114.35946	0.5
123.04427	3.3
124.04740	0.9
137.05963	1.3
138.06325	1.0
149.01152	0.9
163.07578	0.7
167.02310	0.6
374.30304	100.0
375.30576	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Leu Ile Glu
Peak:m/z	Relative Intensity
56.00694	0.2
56.05032	0.8
59.30470	0.2
59.96561	0.3
60.04522	0.4
69.03434	0.5
69.07071	4.8
70.06595	4.0
71.33569	0.4
72.08154	1.9
74.06091	0.6
81.03447	0.4
84.04510	3.8
84.08157	3.3
85.02909	1.6
86.09710	100.0
87.10044	0.7
88.03994	0.3
91.05501	0.4
93.07008	0.4
94.06583	0.3
97.02895	0.6
98.97587	0.4
99.29879	0.3
102.05539	1.6
107.04978	0.4
110.07175	0.7
116.07122	0.4
117.03364	0.8
120.08103	0.9
127.03911	0.3
129.10225	2.4
130.05013	2.2
130.06508	0.3
135.04439	0.4
137.05986	1.0
138.06331	0.6
143.11816	0.3
144.06645	0.3
145.02846	1.7
147.07639	0.3
148.04884	0.3
148.06056	6.7
149.06001	0.6
154.05077	0.4
155.22617	0.3
156.07664	0.3
161.09218	0.3
163.03926	0.8
166.08620	0.4
177.05475	4.6
177.06902	0.4
182.04466	0.5
195.06560	2.9
199.18063	29.9
200.18538	0.3
212.09238	0.6
213.02885	0.3
227.17548	19.8
261.14465	7.6
325.74121	0.3
366.00974	0.3
374.11465	0.3
374.23019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2288
Annotation	Glu Ile Ile
Peak:m/z	Relative Intensity
56.05032	2.0
69.03433	0.5
69.06729	0.6
69.07074	6.9
69.76244	0.7
69.76649	1.5
70.06602	3.6
72.08160	1.6
83.06121	1.3
84.04510	27.3
84.06470	0.5
84.08153	6.7
85.02895	1.1
85.04836	0.5
86.09710	100.0
87.10035	5.2
91.05463	2.1
93.07038	0.4
95.04990	0.4
96.04505	0.9
97.02886	0.9
102.05547	12.8
106.77263	0.4
107.04984	0.8
110.07166	0.8
113.07159	0.5
116.07117	0.4
117.03415	0.6
119.04946	0.7
120.08123	0.9
122.03638	0.5
123.04427	0.4
129.06607	12.6
129.10251	0.9
130.04977	0.8
131.11826	0.9
132.10213	38.4
136.07571	0.5
137.05962	2.4
141.06587	0.9
145.02864	1.5
145.04994	0.5
147.04451	2.1
152.10715	1.3
167.07112	2.4
169.13382	0.7
170.11781	6.0
175.07651	0.5
177.05481	2.8
197.12860	20.2
198.13214	0.6
199.18036	0.9
212.07416	1.6
215.13927	34.1
225.12373	7.3
225.14307	0.3
242.15085	2.0
243.13440	10.8
243.15471	3.1
245.18704	1.4
298.94525	0.4
356.22034	1.4
374.24753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72755	0.3
55.01868	0.5
55.05511	0.6
56.05029	1.0
56.96566	0.4
60.04531	0.6
61.01149	0.4
66.15450	0.3
68.05034	0.3
69.03429	1.6
69.07071	1.2
70.06598	6.6
70.50642	0.5
70.50975	0.5
71.06929	0.5
72.08158	4.1
73.02914	0.3
73.08483	0.4
74.06074	0.9
75.79874	0.2
79.05511	0.8
80.17984	0.3
81.03407	0.5
83.04998	0.3
84.04509	5.9
84.08147	6.8
85.02909	3.2
85.08487	0.8
86.06075	0.6
86.09710	100.0
87.04482	0.4
87.09502	0.4
87.10044	2.1
88.03983	0.4
89.03943	0.6
91.05478	0.9
93.07056	0.3
96.04549	0.4
97.02912	1.5
98.97568	0.7
99.04447	0.5
101.02430	0.3
101.05955	0.3
101.07124	0.3
102.05544	2.4
104.05332	0.3
105.07025	0.5
107.04963	0.9
110.07166	1.8
112.08710	0.5
114.05583	0.4
115.03890	0.3
116.07103	1.5
117.03383	2.0
119.04923	0.5
120.08121	1.7
121.06512	0.6
127.03908	0.7
129.05476	0.3
129.10251	4.2
130.05016	2.8
130.06560	1.1
130.08698	0.3
130.10597	0.9
131.04865	0.3
135.04446	0.7
136.06200	0.3
136.07574	1.3
137.06007	1.9
138.06342	1.1
138.09135	0.4
143.11900	0.4
144.06612	0.7
145.02856	6.7
145.04962	0.6
148.06056	7.5
149.05954	1.5
151.07547	0.8
152.06996	0.4
157.13316	0.4
158.08008	0.3
161.05946	0.4
161.09207	0.6
162.09531	0.3
163.03854	1.4
165.05533	0.3
166.08626	0.4
167.07027	1.8
173.09265	0.4
173.12874	0.5
174.09563	0.4
177.05486	14.3
178.08652	0.4
186.05394	0.3
193.07025	0.4
195.06546	8.3
195.08282	0.5
199.18068	30.7
220.09219	0.3
227.17545	19.0
243.13388	0.5
261.14481	7.1
270.14413	1.0
271.14786	0.3
356.16830	0.5
374.15479	0.5
374.22943	0.9
374.28519	0.8
375.12314	0.6
375.16525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27135	0.3
53.03938	1.0
54.72341	0.3
55.01873	1.9
55.05518	0.7
56.05033	1.5
57.03437	0.9
58.06600	0.4
60.56837	0.3
61.02928	0.8
65.03938	0.8
67.05505	0.5
68.99789	0.5
69.03436	6.1
69.07070	5.8
70.06596	12.6
71.04994	1.0
71.06925	1.0
71.68238	0.4
72.08154	2.4
73.02915	1.4
81.03424	4.6
81.07101	0.4
83.06139	0.4
84.04509	17.5
84.08141	1.6
85.02384	0.4
85.02911	19.4
86.09710	100.0
87.00836	7.3
87.04472	0.4
87.10024	2.3
87.84259	0.3
91.05488	42.9
92.05799	0.4
93.07045	0.5
96.04491	0.9
96.08173	0.4
96.70633	0.3
97.02899	6.9
97.06542	0.4
99.04462	2.7
102.05550	10.1
103.05439	0.7
103.16515	0.3
105.01869	13.5
105.07042	1.1
108.04511	0.6
108.08098	0.6
109.02893	5.7
110.07193	0.8
111.04430	0.6
113.07143	0.8
115.03931	0.4
116.07123	0.6
117.01841	0.9
117.03391	1.0
117.07014	0.8
119.04965	0.4
120.08120	5.6
120.93012	0.3
121.08437	1.0
121.10192	0.3
126.05518	0.7
127.03925	14.3
129.01851	0.9
129.05774	0.4
129.06540	2.3
129.10229	0.9
130.05040	0.6
132.10208	20.7
133.02835	0.4
133.06514	0.8
136.07590	0.6
137.05983	2.3
138.06335	0.6
138.09160	1.3
141.06566	2.2
143.03445	0.4
144.08099	0.8
145.02866	1.4
145.04971	7.1
145.06528	0.7
147.02959	1.0
148.03932	3.5
149.05946	0.4
151.03914	1.1
152.10730	1.3
155.08296	0.5
155.98047	0.4
159.02884	2.8
163.03998	0.6
164.07094	0.5
166.08653	0.8
167.07108	1.1
169.06569	0.4
169.13417	0.8
170.11777	2.1
170.13707	0.4
172.03987	0.4
175.07623	0.8
177.05441	2.8
181.04990	0.9
181.06467	0.5
188.07065	1.2
189.03943	1.1
195.06650	0.5
197.12877	14.1
199.07591	1.1
202.05856	0.5
204.06609	0.6
213.03983	0.6
214.08728	0.5
215.13921	25.5
217.08717	0.5
225.12350	3.5
229.47914	0.4
229.56883	0.4
231.04991	4.4
231.11238	0.4
243.13417	29.5
244.13647	0.4
245.18648	1.0
248.07732	0.8
249.06116	1.3
255.11247	0.6
261.14514	2.2
266.08966	0.4
273.12476	0.7
283.10840	0.5
297.12381	0.5
299.68860	0.9
300.18884	1.4
300.68866	0.5
301.11841	2.8
314.08981	0.5
321.09491	0.5
326.10904	0.6
339.11441	0.4
343.13055	0.9
347.15958	0.5
356.22104	1.1
357.14630	0.6
374.18451	0.5
374.22937	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77142	0.7
56.96570	25.5
56.96820	1.4
57.07027	4.2
58.73014	0.7
68.91833	0.6
69.72658	0.9
69.73068	2.5
70.06596	9.1
71.08588	2.3
71.95277	5.3
72.95998	1.3
74.97601	0.9
84.96000	1.8
85.10126	1.1
86.09630	0.9
88.07634	8.2
95.06046	1.1
97.04270	0.6
97.96749	2.1
98.97594	1.0
105.00148	1.2
106.08617	1.9
110.96873	0.9
110.97572	12.1
113.07108	1.1
114.09167	3.8
115.80892	0.6
115.97807	1.7
117.37724	0.6
123.01189	1.5
124.99052	0.7
128.98618	13.2
130.72086	0.7
131.00134	0.7
132.10193	11.6
137.02698	1.4
137.05943	2.5
138.06313	1.6
143.00093	1.9
145.01717	0.7
146.99646	7.8
150.11264	10.2
152.00186	1.6
155.03764	1.0
161.01196	2.4
161.04826	0.7
169.01561	0.8
170.01266	0.9
171.03236	2.0
175.02737	1.6
185.04758	1.8
189.04404	1.9
203.05856	1.1
205.01772	0.6
205.07288	0.7
215.11259	0.9
216.06511	0.6
227.09567	1.0
229.09760	0.7
241.11052	1.5
245.10652	1.1
252.10349	1.2
259.12219	1.4
263.09506	5.0
264.10495	0.7
270.11389	1.1
272.50824	0.7
277.11066	1.1
281.10562	1.0
286.11310	0.9
298.07635	0.7
298.11227	0.7
303.12714	1.8
312.32428	0.8
315.16296	53.5
316.16696	1.2
330.33646	3.7
331.15765	2.4
333.17358	100.0
334.17795	2.1
351.18405	34.5
356.19000	21.0
356.28888	0.7
374.20050	5.4
374.36295	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.53216	0.3
65.03944	1.6
67.05523	0.4
69.86301	1.1
69.86716	0.6
70.06587	0.9
79.05515	0.4
81.81012	0.3
84.08118	0.5
85.02891	0.4
86.09679	0.7
89.03917	0.7
91.05484	27.0
93.07043	0.4
95.04960	1.3
103.05476	0.7
105.03367	0.7
107.04971	1.0
108.05708	0.5
117.03372	1.5
118.04192	0.6
119.04945	39.0
120.08096	0.5
121.06532	0.4
122.06066	0.6
129.03378	0.7
132.02097	1.7
133.02853	0.7
135.04475	0.7
136.05188	1.5
137.05954	1.1
145.02916	1.6
147.04414	26.7
149.02382	1.0
151.03915	1.1
151.07545	7.1
157.03966	3.1
162.03152	0.4
164.04779	0.6
168.10225	0.4
169.25221	0.3
175.03915	45.5
177.05470	2.6
179.07024	2.3
192.04218	0.5
193.16534	0.4
195.10201	0.4
207.06534	100.0
208.06863	0.8
217.80348	0.3
234.37996	0.4
250.64894	0.3
307.45987	0.4
319.98749	0.3
371.12076	0.4
374.16370	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34330	0.2
53.03952	0.3
58.94185	0.2
65.03935	1.4
70.06571	0.5
71.51545	0.4
77.03918	0.4
79.05509	0.4
81.07072	0.3
84.08141	0.4
86.09730	0.3
89.03935	0.6
91.05484	27.1
93.07037	0.4
94.45988	0.3
95.04964	1.3
98.97575	0.3
100.96327	0.2
103.05483	0.9
103.23192	0.3
105.03396	0.7
107.04952	0.6
107.08569	0.3
108.05715	0.3
109.06525	0.2
117.03362	0.4
119.04944	34.3
123.08116	0.3
129.03348	0.6
131.04910	0.4
132.02072	1.1
133.02884	0.3
135.04437	0.3
136.05165	1.3
137.05977	0.9
138.06319	0.8
145.02849	1.4
147.04413	25.4
149.02332	0.7
149.06029	0.4
151.07541	7.7
157.03944	2.9
163.03970	0.4
164.04709	0.8
168.10144	0.3
175.03909	46.0
176.04250	0.6
177.05484	1.4
179.06992	1.7
192.04196	0.5
194.07976	0.3
204.95346	0.3
207.06532	100.0
208.06866	1.1
212.24030	0.2
263.12888	0.3
374.16016	3.9
375.10501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17626	0.4
53.03951	0.8
55.01880	2.4
56.05041	2.2
57.03439	1.7
61.02932	2.0
65.03944	1.7
65.88667	0.5
68.99809	0.5
69.03433	8.5
69.07071	2.6
70.06598	8.7
70.76585	1.0
70.76938	0.7
71.04998	1.8
71.06930	1.0
72.08160	1.6
73.02925	1.8
78.19575	0.5
81.03421	6.9
84.04508	23.7
84.08154	1.2
85.02915	26.9
86.09713	100.0
87.00838	12.8
87.04463	0.6
87.10068	2.2
91.05489	65.1
92.05794	0.8
93.07069	0.7
96.04501	1.8
97.02898	9.0
99.04465	3.4
101.02412	0.6
102.05546	11.9
103.03943	1.0
103.05495	0.7
105.01879	18.2
105.07050	0.9
107.04991	0.6
107.08624	0.7
108.04482	1.8
109.02892	8.2
109.06542	0.6
111.04457	0.9
113.07146	1.5
114.05521	0.7
116.07069	0.6
117.01843	0.8
119.04942	0.5
120.08115	3.2
121.06580	0.5
125.02358	0.5
126.05515	0.6
127.03930	20.4
129.01880	1.1
129.05675	0.9
129.06648	3.5
129.10242	0.7
130.06476	0.6
132.10216	34.8
133.02855	0.6
133.06531	1.1
136.07587	0.7
137.05988	2.5
141.06552	2.5
144.08118	1.1
145.02866	1.6
145.04974	9.7
145.06512	1.1
146.34018	0.5
147.02872	1.0
147.04416	0.6
148.03955	1.4
149.06036	0.6
151.03903	1.2
152.10698	1.6
154.06494	0.7
157.06544	1.1
158.96718	0.5
159.02905	5.1
164.07031	1.4
169.13391	0.6
170.11772	3.0
171.07991	0.6
175.07591	1.3
177.04041	0.5
177.05476	2.8
183.08115	0.5
188.07088	1.9
189.03969	1.9
195.06503	1.1
197.12874	16.6
199.07574	1.0
199.18167	0.6
201.05417	1.3
202.05772	1.5
213.03961	1.1
214.08601	0.9
215.13925	28.9
217.08618	1.6
225.12373	6.8
231.05023	6.9
231.11197	1.0
243.13425	18.6
245.18602	1.9
246.18947	0.5
248.07768	1.0
249.06133	2.3
249.08412	0.5
251.06570	0.5
261.14334	1.3
289.04355	0.5
297.12277	1.2
300.18839	1.8
301.11777	1.9
321.09903	0.9
321.13980	0.5
326.11053	0.9
339.10822	0.6
356.21643	0.6
357.14459	1.2
373.72336	0.6
374.22610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03926	0.3
55.05476	0.4
56.05025	0.6
61.01173	0.4
65.03944	1.6
69.44173	0.3
69.61250	1.1
69.61656	0.5
70.06593	3.1
71.04986	0.3
72.08136	1.3
77.03919	1.2
84.04491	1.0
84.08161	1.9
86.09710	3.6
86.23497	0.3
89.03903	1.4
91.05485	32.0
93.07066	0.4
94.14156	0.3
95.04963	1.2
96.03791	0.3
97.02840	0.4
98.21575	0.3
98.97632	0.5
102.05492	0.5
102.17680	0.3
103.05445	1.2
105.03383	0.6
105.06980	0.4
107.04942	0.9
107.08620	0.5
108.05732	0.5
109.06518	0.4
110.07155	0.5
111.45462	0.4
115.05447	0.5
117.03384	2.7
119.04947	37.5
120.05242	0.5
120.08086	0.8
121.06472	0.5
129.10240	0.9
130.08635	0.7
131.04930	0.5
132.02081	1.0
132.08090	0.4
133.02864	0.9
135.04373	0.6
136.05173	1.1
136.07571	0.4
136.63524	0.3
137.05983	2.6
138.06306	0.8
145.02849	6.0
147.04416	27.3
148.04901	0.4
149.02310	1.2
149.06004	1.1
150.05838	0.7
151.03943	0.5
151.07547	7.9
157.03979	3.7
161.05952	0.5
162.03140	0.3
163.03883	0.8
163.07489	0.3
164.04689	1.1
164.06950	0.4
167.07056	2.9
168.07376	0.3
175.03911	50.0
176.04399	0.4
177.05472	11.0
178.05945	0.6
179.07030	2.5
183.58942	0.3
192.04210	0.7
194.08247	0.5
201.05452	0.7
202.05792	1.1
204.07445	0.5
207.06534	100.0
208.06796	0.8
215.13829	0.6
225.08638	0.4
233.06160	0.3
283.09573	0.5
284.09897	0.6
312.09204	0.3
314.10992	0.5
324.09259	0.4
328.12460	0.6
342.10486	0.7
344.12158	1.1
356.11935	0.6
374.12439	1.0
374.16064	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.05041	0.8
57.03439	0.9
61.02918	1.9
69.03434	3.5
69.47235	0.5
69.58926	2.9
70.06598	2.9
70.06911	0.4
71.04987	0.8
72.08150	1.7
73.02917	0.9
81.03413	1.6
84.04498	1.9
84.08147	6.9
85.02911	16.1
85.08475	1.4
86.09709	5.8
87.04459	0.7
89.03915	3.6
90.98350	0.5
91.03960	1.1
91.05515	0.8
97.02903	4.9
99.04460	0.7
103.05470	0.5
105.03384	0.5
109.02891	1.3
110.07174	0.5
117.03394	13.4
117.05109	0.5
118.03707	0.7
119.04966	0.5
120.08079	1.0
124.03017	0.4
127.03945	2.8
128.06998	0.5
129.10258	3.0
129.46898	0.5
130.10600	1.2
132.01170	1.2
134.03664	1.1
135.04419	1.2
136.04756	0.6
137.05988	0.7
144.06589	0.7
145.02858	38.4
145.04961	4.1
146.03210	0.9
149.05988	6.5
150.05864	0.4
153.05502	0.9
162.03143	0.7
162.07611	1.2
163.03918	6.2
164.04251	4.0
166.08661	0.5
174.04001	1.4
177.05482	100.0
178.05817	1.1
180.08670	1.9
185.16544	0.8
187.14429	0.7
195.06548	55.0
196.06805	0.6
199.18051	0.5
207.04796	0.9
212.09120	0.6
242.18605	0.6
284.74811	0.4
287.09464	0.5
374.14603	0.7
374.18677	5.2
374.28204	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87573	0.5
53.03936	0.6
55.01862	0.5
57.03424	1.2
57.13818	0.4
59.21212	0.5
61.02936	2.8
69.03432	4.0
70.06602	1.4
70.88580	0.8
70.88911	0.7
71.05003	0.6
72.08141	1.1
73.02888	0.6
81.03419	1.8
84.04508	0.7
84.08138	1.8
85.02915	14.6
85.75894	0.5
86.09722	2.9
89.03919	4.1
91.03950	0.8
93.15263	0.5
97.02890	4.4
101.16419	0.6
106.04191	0.5
107.04942	0.9
109.02880	1.0
115.45875	0.4
117.03392	14.8
127.03909	2.8
128.03445	0.7
129.10268	0.7
134.03618	1.3
135.04422	0.8
137.06009	0.8
144.06587	0.6
144.27354	0.5
145.02861	41.0
145.04803	4.9
147.02647	0.6
149.05989	8.1
153.05495	1.0
162.03047	0.7
162.07622	0.7
163.03931	2.8
164.31941	0.5
174.03963	1.2
175.02234	0.5
177.05484	100.0
178.05827	1.4
180.08711	1.8
182.05396	0.6
193.21626	0.5
195.06548	62.0
196.06970	0.9
200.80798	0.5
206.80980	0.5
207.04842	1.0
257.68643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28957	2.8
55.05498	6.9
57.07074	3.5
66.69867	3.3
66.75219	3.4
67.05505	16.4
69.03414	12.1
69.07056	12.4
70.06609	23.1
70.91058	7.2
72.08145	7.3
72.36960	3.2
79.05481	7.8
81.07065	20.0
83.04972	11.6
83.08647	4.1
84.04498	6.7
84.08144	10.4
85.02927	6.4
85.06522	5.1
86.09714	34.3
91.05449	7.8
93.07035	11.2
95.08607	27.6
99.08088	7.0
103.05457	10.4
105.07008	9.4
107.04948	5.3
107.08601	20.3
109.06529	8.4
109.10157	100.0
111.08096	5.0
115.08718	4.1
115.43132	3.7
119.08622	27.7
120.08112	27.3
121.10133	9.5
121.35734	3.7
122.03619	4.2
123.04442	7.0
123.08089	14.7
123.11673	8.3
131.04947	11.7
133.10136	23.5
135.10704	5.7
135.11696	79.1
137.05991	58.2
137.09615	15.5
146.11731	7.7
149.13223	5.8
151.03900	5.9
151.07504	4.1
151.11156	6.1
151.14822	11.4
163.03966	3.8
163.07518	13.1
167.07043	78.4
175.07491	5.9
175.14839	34.5
177.05453	12.5
192.14568	4.2
193.15865	45.0
200.13936	5.7
201.12366	3.7
203.06982	4.4
211.16933	99.7
237.11198	3.8
251.06915	3.5
287.58560	3.6
291.06647	3.3
337.06790	3.5
343.11530	4.1
373.12823	8.1
373.18320	3.6
395.10330	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	373.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01934	0.5
50.38882	0.5
51.51116	0.5
55.05505	1.5
56.05041	3.0
58.16938	0.5
59.06388	0.5
59.19577	0.5
61.79807	0.4
67.05505	1.0
69.03424	1.0
69.07069	4.4
69.32742	3.6
70.06599	35.0
71.05009	0.5
71.06932	0.9
72.08157	7.4
79.05491	0.7
81.07055	0.8
83.06109	27.0
83.06609	1.3
84.04510	31.9
84.08148	4.6
86.09711	100.0
87.10049	0.9
91.05456	1.2
93.07041	1.2
95.04966	0.9
95.08640	1.0
96.04504	2.2
97.02890	0.6
98.06087	0.9
99.08098	1.2
100.02713	0.6
101.07150	7.9
102.05570	1.5
103.05477	2.9
105.07050	0.8
107.05007	0.5
107.08618	0.9
109.10181	1.9
110.07167	1.1
111.04465	0.5
111.05574	0.5
112.03986	0.7
112.08719	1.7
113.07146	2.2
115.08722	1.5
116.07066	0.8
119.04956	0.6
119.08616	0.7
120.08116	17.1
120.08956	1.0
121.06530	0.6
121.08495	0.6
123.08110	0.6
124.11203	0.6
127.08640	0.5
129.06615	8.1
129.10249	3.6
131.11816	2.6
131.41115	0.5
132.10210	30.8
133.10181	1.4
135.08170	0.6
135.11685	0.7
136.07542	0.5
137.05988	8.0
137.09657	0.7
141.06609	3.9
143.11885	0.8
144.49179	0.5
145.02869	1.2
147.04408	0.6
149.05945	0.9
151.07545	1.0
152.10724	4.0
155.08192	1.0
157.13382	1.9
159.09229	0.9
163.03992	0.6
166.08699	0.7
167.07130	0.7
169.13383	5.1
172.10846	0.7
175.07529	0.5
177.05522	2.0
181.05042	1.2
185.12889	1.8
189.12408	2.1
193.15938	1.9
196.14467	22.8
197.10393	2.1
197.12869	17.8
201.05461	1.8
203.07201	0.5
208.09854	0.7
214.15526	8.9
215.13992	2.2
217.13449	1.5
224.13916	8.7
225.12370	4.6
242.15015	15.2
243.13396	3.3
245.12852	0.8
245.18645	1.8
253.08501	0.6
255.99269	0.5
260.16199	1.3
296.17465	0.6
299.68756	7.5
300.18970	2.0
325.10898	0.6
337.22375	0.8
338.20593	0.6
355.11786	0.9
355.23428	19.1
356.21741	2.4
373.13770	1.4
373.18497	2.8
373.24664	1.8
374.29797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01857	1.7
55.05508	7.6
56.05033	1.2
57.03420	1.1
57.07065	3.1
59.04988	2.9
61.02920	1.5
67.05507	14.4
69.03423	7.2
69.06728	1.3
69.07071	12.8
70.06590	7.3
70.42995	3.4
71.04981	4.2
71.08645	1.1
72.08152	2.2
74.06041	1.3
79.05511	5.3
81.03406	1.8
81.07058	17.5
83.04984	8.1
83.08626	7.4
84.08139	3.6
85.02893	5.7
85.06546	3.4
86.09716	6.2
91.05461	6.3
93.07044	8.9
95.04945	1.8
95.08614	30.7
97.02882	2.3
97.06499	1.3
97.10162	2.7
99.08082	3.7
103.05482	2.9
105.07043	5.9
107.04975	4.5
107.08600	20.9
109.06530	9.2
109.10162	97.3
110.10488	1.3
111.06063	1.1
111.08084	3.1
113.09666	1.8
117.07041	1.1
119.04922	2.3
119.08593	35.4
120.08106	2.2
121.06482	2.9
121.10142	12.7
122.03652	1.1
123.04412	1.1
123.08086	13.3
123.11724	9.1
127.03963	1.1
129.10229	2.7
131.04924	1.6
133.10146	19.9
134.10408	1.1
135.11697	100.0
137.05992	17.6
137.09633	13.6
138.06325	1.2
139.11200	1.9
145.02849	1.2
145.04889	0.9
147.04427	1.2
147.11681	2.2
149.06000	1.1
149.13263	6.1
151.03853	1.9
151.11180	8.6
151.14824	12.7
153.05524	1.0
153.12701	2.6
163.03957	1.5
165.16382	4.6
167.07086	8.4
175.13304	2.2
175.14835	42.6
177.05469	3.5
177.09145	1.3
180.08002	2.0
181.04993	1.2
193.15897	56.3
201.05458	4.0
203.06941	1.2
207.06462	1.1
208.06943	1.1
211.16942	80.7
224.07011	1.7
299.68723	1.0
337.10895	1.2
355.15527	1.2
373.13022	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	373.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.57253	0.7
55.01842	1.4
67.05491	0.9
69.03419	1.0
70.03101	3.6
70.06592	5.8
72.08139	3.1
77.03919	1.4
78.04701	1.7
79.05489	6.6
81.03414	4.2
84.04501	2.1
84.08135	3.2
85.02900	1.4
86.09695	4.2
91.05451	4.2
95.04960	2.8
97.02901	0.9
98.97630	0.9
103.05476	14.7
105.07029	6.9
106.04183	1.8
107.04959	90.2
108.05242	0.9
115.03911	1.0
115.05476	5.1
116.07082	1.0
117.07014	3.0
119.04987	0.9
120.05717	5.2
121.06504	1.1
123.04424	2.9
124.05193	1.3
129.10257	1.7
130.05005	1.2
131.04951	6.9
133.06459	3.1
134.03749	0.9
135.08055	25.6
137.05966	10.5
139.03854	0.8
145.02963	0.9
145.07585	2.5
147.04407	1.2
147.07715	0.9
149.05954	0.7
150.97099	0.7
151.03899	1.5
151.07590	0.9
152.04639	1.3
154.06241	1.8
154.15353	0.8
161.05972	1.6
163.03896	2.2
163.07547	100.0
164.06995	4.0
167.07043	55.1
177.05501	1.4
177.09094	1.0
180.07805	1.5
181.08556	2.1
193.08629	2.0
194.06395	2.1
195.10172	62.0
213.11150	2.0
254.23517	0.9
276.67236	0.7
305.11877	1.3
355.19351	0.9
373.10623	4.5
373.14743	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2224
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
54.37349	3.5
55.05502	6.6
65.72845	3.5
67.05510	17.3
69.03453	6.2
69.07066	12.8
70.06264	3.6
70.06606	37.4
71.02982	6.9
71.04990	3.5
72.08147	10.2
74.73624	3.3
79.05487	8.8
81.03413	3.8
81.07068	20.6
83.04981	10.2
83.08607	7.1
84.04515	4.6
84.08144	18.8
85.02886	14.7
86.09718	33.3
91.05464	19.4
93.07030	13.3
94.01514	3.5
95.04977	6.8
95.08611	27.9
97.02930	4.3
98.97566	8.0
99.08081	15.6
103.05452	8.0
105.07063	8.9
107.04945	6.9
107.08632	23.3
109.06521	11.7
109.10167	86.7
110.07185	5.1
117.03381	8.1
119.04932	5.4
119.08582	22.6
120.08121	24.0
121.10117	15.2
122.03645	4.3
123.08067	9.7
123.11747	7.3
127.03939	4.1
129.10269	10.3
131.04948	9.2
133.10153	22.0
135.11708	75.9
137.06004	44.1
137.09630	16.3
145.02840	7.7
147.04410	4.3
149.05937	3.9
149.13327	6.1
151.03851	6.5
151.07498	5.0
151.11211	5.3
151.14885	12.6
155.10623	4.9
161.06050	6.5
163.07509	5.2
165.10280	4.8
165.16469	6.5
167.07076	47.5
175.03987	6.1
175.07535	3.6
175.14841	37.2
177.05476	12.4
181.04959	4.8
183.11433	5.0
193.15884	55.0
198.29808	3.4
200.14021	9.6
201.05460	9.2
207.06511	8.8
211.16957	100.0
228.13399	6.5
257.53296	4.8
295.09225	3.9
305.11713	4.0
341.10300	6.9
373.13040	11.6
373.18277	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1283
Annotation	8-Hydroxypluviatolide
Peak:m/z	Relative Intensity
53.03942	3.1
55.01870	4.4
56.96574	0.8
63.15933	0.7
65.03936	2.8
67.05499	3.1
69.03421	1.2
69.07073	1.2
69.82467	2.2
69.82864	1.1
70.06580	2.5
71.01347	8.7
72.08151	1.2
77.03940	1.5
79.05494	5.9
79.37557	0.7
81.03430	1.4
81.07034	1.9
83.04885	0.8
84.04520	0.8
84.08150	1.8
86.09719	3.9
89.03934	1.4
91.05485	10.0
93.03404	1.5
93.07056	6.4
94.04178	1.1
95.04965	8.4
95.08611	1.8
98.20845	1.0
98.97618	1.9
103.05473	8.3
104.06230	0.7
105.04501	2.3
105.07043	2.2
107.04955	9.9
107.08597	2.4
108.02105	1.8
108.41695	0.8
109.02866	0.8
109.10155	1.0
109.52454	0.7
110.03656	2.0
111.04441	4.3
115.05444	1.8
116.98622	1.1
117.03338	3.4
117.07010	1.6
118.04178	4.6
119.04944	5.0
119.08559	1.6
120.08084	1.5
121.06514	11.6
121.10152	0.9
122.02765	1.2
122.03648	2.7
123.04407	6.7
124.05222	1.2
125.03582	0.6
125.06004	8.2
131.04916	5.1
131.08592	0.7
132.05672	1.1
133.02869	2.0
133.06485	1.7
134.03638	1.4
135.04422	13.0
135.11668	1.1
136.05179	1.4
137.05980	24.0
139.03929	0.9
144.05696	0.8
145.02867	5.2
145.06453	3.4
145.10143	1.2
146.03625	7.1
147.04419	14.3
147.08041	1.6
149.05981	9.0
150.06761	10.6
151.03909	100.0
151.04987	6.1
151.07448	1.9
152.04532	1.2
153.05463	11.5
159.11758	1.1
160.05205	3.0
161.05988	9.4
162.03114	0.8
163.03925	6.3
163.07562	1.3
164.04630	1.1
165.05498	5.0
165.06880	1.4
166.06261	2.9
167.07039	7.3
173.06026	1.2
175.07561	3.9
177.05472	30.7
177.09052	1.4
178.06250	55.6
179.07019	8.9
191.07126	1.5
193.06503	1.1
195.06512	11.6
195.08228	0.9
196.07312	47.8
201.05444	4.6
202.10701	1.0
203.07037	9.1
205.06554	1.6
205.08488	1.0
206.07346	1.0
207.06532	1.1
211.07509	1.0
219.06535	2.0
221.08041	5.1
223.07567	1.1
225.09085	1.0
233.06039	1.2
235.07587	1.1
237.09109	1.1
239.07033	1.6
250.06110	0.9
265.08636	1.6
267.10287	0.8
279.06299	1.1
293.08054	1.9
297.11240	2.0
305.11896	1.1
307.09589	0.9
309.11276	0.9
315.12219	1.1
323.09128	2.3
325.10773	4.0
327.12173	1.3
327.23044	0.8
331.12347	1.0
337.10510	1.4
341.10141	1.2
343.11768	8.1
355.11740	3.7
373.12967	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31961	0.6
53.03949	1.0
55.05502	1.1
55.49097	0.7
56.05032	1.5
57.03434	0.8
60.04538	0.8
62.25680	0.7
64.91196	0.6
69.03412	1.1
69.07053	1.8
69.96521	1.6
69.96912	2.0
70.06599	7.5
72.08167	5.6
79.05479	3.1
81.03433	1.5
83.06096	1.0
84.04494	2.2
84.08147	23.5
85.02907	3.7
85.12180	0.7
86.09232	1.3
86.09710	20.5
88.03966	1.5
89.03927	6.8
91.05446	1.0
93.07051	1.0
95.04975	1.8
97.02896	2.3
98.21432	1.0
100.11260	1.2
101.10783	1.1
102.05529	2.6
103.05457	1.8
105.03401	17.5
105.04471	0.9
107.04954	7.1
107.08607	0.7
110.07136	1.4
111.04450	0.9
113.74713	0.7
117.03378	9.9
120.05772	0.8
120.08099	0.8
121.06487	1.4
122.03598	1.5
123.04441	2.2
129.05550	0.7
129.10252	16.9
131.04889	0.9
133.10095	0.8
135.04430	16.9
135.08069	1.6
135.09201	2.0
137.05995	11.7
137.09630	1.1
145.02856	15.8
145.05035	0.8
147.04471	0.9
147.07631	4.6
148.27826	0.8
149.05981	2.5
151.03903	1.1
151.07564	1.4
159.09192	1.0
163.03914	100.0
163.07542	4.7
163.08675	1.9
167.07077	3.5
175.06079	1.1
177.05504	8.7
179.07040	8.0
181.04987	7.0
193.06941	0.9
195.06519	6.6
195.10190	2.2
197.08145	2.6
197.16580	1.2
199.18011	1.6
211.09613	1.1
224.17496	0.9
227.17558	1.6
242.18686	2.4
259.12769	0.7
260.16199	1.0
305.11716	0.7
313.10980	1.2
319.76874	0.7
355.14972	1.1
356.24771	1.0
373.14212	4.8
373.18393	13.9
373.28104	6.1
373.65848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1131
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.02386	0.5
52.70751	0.4
53.03955	2.7
53.19110	0.4
55.01870	0.8
55.05510	1.0
56.05035	1.1
57.03436	1.6
59.55006	0.4
65.03936	0.5
67.05499	1.0
68.94073	0.4
69.03442	1.2
69.07062	2.8
69.45024	2.6
69.45424	0.8
70.06210	0.5
70.06593	8.8
71.01346	0.7
71.04996	0.4
72.08156	4.0
73.02895	1.1
77.03918	1.3
79.05502	3.2
81.03428	0.8
81.07043	0.5
83.05000	0.6
83.06107	6.9
83.08612	0.5
84.04046	0.7
84.04508	8.1
84.08144	4.8
85.02899	3.7
85.06571	0.5
86.09709	24.4
91.05481	1.5
93.07049	1.8
94.04180	0.5
95.01336	3.6
95.04969	4.4
95.08636	1.0
97.02895	1.2
97.06538	1.5
99.08086	3.6
101.07150	1.7
103.03967	0.8
105.03395	100.0
105.07021	0.8
106.03678	0.9
107.04951	0.9
107.08569	1.1
109.06554	0.5
109.10187	1.3
110.07156	0.9
111.04417	2.0
113.02365	1.3
116.07121	0.5
117.07027	0.8
119.04964	0.9
119.08572	0.5
120.08088	1.0
121.06505	0.7
121.37537	0.4
122.03633	0.4
123.04427	3.3
125.09598	0.7
125.49287	0.4
129.05583	0.6
129.06602	5.9
129.10257	4.0
130.05052	0.5
131.03401	0.5
131.04842	0.4
132.10207	8.5
133.10190	0.9
135.08038	1.1
135.11723	0.7
137.05978	7.0
137.09578	0.7
139.07562	2.0
141.01845	4.8
141.10246	1.0
143.11818	0.5
145.02844	0.8
146.05994	0.4
147.04436	0.9
149.05991	0.7
151.03905	0.5
151.07591	0.5
152.10692	0.6
153.05457	0.5
153.09137	0.8
157.13382	1.2
159.02934	0.6
159.09134	0.4
163.03889	0.7
163.07588	1.2
169.09756	1.2
169.13380	1.0
170.05875	1.3
173.06059	0.4
175.06071	0.7
175.07526	0.8
175.14841	0.5
177.05507	1.0
179.07037	25.6
180.07430	0.6
181.04962	1.0
181.08606	1.1
185.12823	0.8
188.07027	0.7
189.12398	1.5
193.08633	0.4
193.15895	1.3
196.14470	7.1
196.92877	0.4
197.08093	13.7
197.12857	6.2
201.05504	2.8
203.07175	0.4
203.13889	0.8
208.06964	0.5
211.15178	0.7
211.16966	1.1
214.15518	3.9
219.06500	0.7
224.13957	2.3
225.12425	1.4
242.14908	2.2
265.08801	0.4
270.14517	0.5
291.92117	0.4
302.15045	1.4
325.10608	0.9
329.14737	2.5
337.14307	0.5
355.11975	0.4
355.23447	6.9
373.14673	4.2
373.18527	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
62.95182	15.7
67.05495	20.7
70.38242	53.4
70.47687	14.5
81.07047	20.9
85.02914	18.6
87.04481	37.9
98.03542	15.3
121.06519	18.5
121.07378	17.8
137.06009	100.0
190.95457	23.8
277.18042	29.3
333.64761	15.7
372.30673	17.2
372.34888	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	372.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05292	0.6
55.05516	5.8
57.06828	0.8
57.07080	7.8
60.04232	0.7
60.04531	13.6
60.95028	0.7
66.34509	0.6
67.05498	3.9
69.07076	8.0
69.56274	3.2
69.56696	1.3
70.06573	1.7
70.36189	0.7
71.08624	4.4
78.01122	2.8
79.05514	0.7
81.07060	7.2
83.08616	3.7
84.08154	1.5
85.10191	2.7
87.04460	2.2
89.01592	1.1
92.02669	0.9
95.08615	5.7
95.58511	0.7
97.10156	1.9
109.10160	2.8
111.11737	1.2
112.42609	0.7
117.04668	0.6
123.11686	1.7
146.88857	0.6
162.03481	0.6
165.86861	0.7
207.45325	0.6
222.64677	0.6
268.29974	7.0
294.31482	2.2
330.29193	16.9
332.40814	0.7
372.30298	100.0
373.30643	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	20.1
56.96559	16.6
57.03433	14.3
67.05496	24.3
69.03412	14.3
69.07063	23.2
69.90266	51.3
69.90682	26.4
70.06594	14.9
71.01337	14.8
71.04979	16.3
72.08142	17.6
81.03417	16.5
81.07058	36.9
81.62598	14.2
83.28843	14.9
83.42010	13.2
84.08134	15.5
91.05473	22.1
93.07055	16.2
95.04985	15.4
95.08595	23.6
97.06515	34.7
98.21425	21.4
98.97588	20.4
109.06509	15.7
115.07568	15.5
119.08616	20.0
137.05966	60.1
151.40811	12.8
158.99837	14.7
195.13770	20.3
214.49643	15.6
243.28151	14.3
291.19589	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31891	5.3
56.96568	10.9
67.05473	7.5
67.11371	5.3
69.07073	10.2
69.75852	20.2
69.76257	12.4
70.06586	5.3
71.41243	5.1
73.09425	5.2
81.07059	12.4
87.04483	9.9
95.08603	7.6
98.20769	10.4
98.97588	5.3
110.07161	6.1
113.02357	7.0
120.37482	5.3
120.73497	5.3
137.06001	81.0
141.01825	8.4
151.07542	8.7
190.53178	5.8
255.97263	6.0
277.18021	100.0
278.59726	5.2
295.19083	21.6
326.48340	6.1
331.17767	8.1
336.04193	6.3
349.17896	7.4
372.34906	14.0
373.10220	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	27.7
67.05510	30.7
69.03457	21.3
70.06612	24.6
70.34721	62.5
72.21176	16.1
81.07066	43.7
84.08105	19.9
85.02892	45.4
89.85690	14.2
90.42722	17.1
91.05473	17.6
93.07052	28.5
95.01338	20.9
95.08620	24.3
98.20743	25.4
105.07056	21.1
107.04932	15.4
107.08578	27.0
116.42445	15.4
121.10128	29.1
133.10100	14.9
135.08083	21.7
137.05974	100.0
141.01846	28.1
159.02841	19.0
174.00665	16.4
184.27275	14.6
189.72643	16.6
191.83582	16.8
231.48366	13.9
261.02554	18.5
291.19550	59.1
305.11676	17.3
314.07611	21.3
331.08014	34.9
332.08112	17.2
364.37616	17.0
372.25940	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	372.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95407	2.0
57.03439	21.4
59.04991	5.7
61.02909	3.8
64.24853	1.8
69.03438	71.3
69.56879	10.7
70.06587	4.5
71.21485	1.9
72.08195	2.5
73.02922	4.3
81.03413	5.5
81.95078	2.1
84.04492	3.0
84.08151	4.0
85.02911	97.2
86.09711	4.0
87.04475	52.1
91.03946	3.5
97.02901	67.3
98.21581	2.1
99.04429	5.7
102.78836	2.1
109.02869	6.0
115.03940	81.8
124.11423	2.4
127.03925	19.0
133.04979	100.0
137.05995	2.5
139.49538	1.8
145.04976	37.5
150.07631	11.5
159.40298	2.2
163.06050	23.0
183.26031	1.9
202.06546	2.1
223.11774	8.6
259.08127	3.8
277.09082	3.6
295.10132	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	372.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	23.1
56.96558	16.0
62.06088	23.8
67.05499	25.5
69.03420	9.4
69.07066	13.2
70.63481	18.8
71.04998	12.0
72.08154	7.1
79.05490	23.0
81.07061	61.3
83.08616	10.4
84.08138	14.1
85.02904	14.8
86.09706	14.3
91.05457	21.0
91.79580	7.9
93.07040	42.8
93.48768	7.6
95.08614	44.3
97.10160	11.2
98.97587	23.8
99.08070	9.8
101.87312	8.6
103.05460	10.4
103.19676	7.4
104.01064	7.6
105.07052	34.5
107.08586	33.2
109.06538	8.2
109.10172	17.0
116.98615	10.0
117.07064	12.5
119.08610	34.9
121.06502	11.9
121.10192	20.3
123.11752	11.0
125.09645	15.5
129.52118	9.4
131.08580	17.8
133.10146	53.7
135.11699	17.8
137.05995	60.0
138.06311	13.4
145.10147	11.6
147.11693	20.1
153.09151	7.9
159.11690	20.5
161.09633	11.3
161.13284	20.4
164.07091	7.8
167.07098	12.5
173.13251	21.8
175.33351	8.8
176.42715	8.5
177.00673	10.0
187.07332	8.4
187.14897	12.0
188.07965	10.9
189.11302	8.6
191.14342	32.6
201.16501	14.1
216.16066	15.7
217.08656	8.4
219.17502	13.5
273.22061	20.0
283.20615	9.8
294.24329	19.2
301.10474	14.1
301.21619	100.0
319.22748	29.1
322.11572	17.4
345.83249	10.4
354.13998	26.0
372.10760	9.5
372.15509	11.8
372.25684	35.0
384.71869	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	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01882	9.3
55.05515	50.4
57.03436	7.5
57.07070	10.1
59.05001	2.7
61.93740	1.7
64.35892	2.0
65.03969	2.5
66.66561	1.7
67.05510	100.0
67.27247	2.1
69.03430	4.3
69.07074	55.9
69.59924	7.2
69.60350	5.5
71.04986	8.3
71.08635	8.7
79.05071	3.0
79.05499	40.9
81.07061	97.2
83.04993	8.9
83.08624	28.4
84.08949	1.6
85.06545	9.1
85.10147	2.4
91.05473	13.8
93.07053	44.2
93.43449	1.7
95.04996	3.6
95.08617	72.9
97.06547	10.3
97.10180	30.6
99.08092	6.4
105.07030	9.4
107.04916	1.7
107.08606	33.4
109.06503	2.7
109.08389	1.5
109.10159	55.4
111.08101	7.5
111.11700	5.2
113.09673	3.5
117.07035	6.1
119.08596	7.6
121.10147	20.5
123.08075	1.9
123.11713	24.3
125.09631	18.3
131.08565	11.9
133.10159	9.8
135.08073	4.6
135.11693	32.5
135.12721	1.9
137.09621	5.0
137.13252	12.7
145.10121	5.8
146.54941	1.8
147.11723	9.9
147.82457	1.7
149.09567	1.9
149.13313	8.7
151.11264	2.4
151.14827	4.8
153.09123	3.8
153.12744	12.9
159.11717	5.2
161.13283	7.0
163.11205	2.9
163.14832	7.0
165.12778	4.3
167.10670	2.2
167.14391	1.6
171.10202	4.0
173.11694	6.7
173.13272	10.2
175.14874	3.2
177.12726	3.4
179.14293	3.9
181.12236	3.0
187.14853	5.5
189.11282	12.4
191.14296	3.7
191.72987	1.8
195.13683	2.1
205.15950	2.5
209.15370	4.8
223.16960	3.4
227.12775	9.4
233.22627	5.8
243.21127	11.7
245.13893	8.0
251.23515	2.4
261.22159	39.0
279.23206	99.9
353.26904	95.0
354.27686	1.9
359.11743	2.1
371.28275	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	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45878	3.4
55.05502	14.9
56.96570	3.6
57.03436	7.0
57.07072	21.9
67.05515	52.2
69.07079	17.0
70.81962	3.8
70.82283	6.2
71.03572	3.2
71.08640	34.6
79.05493	20.9
81.07063	59.6
83.08626	13.3
85.06532	3.1
85.10184	44.6
91.05466	22.7
93.07055	24.1
95.08607	52.0
97.06561	4.2
97.10152	7.0
99.08105	28.1
101.05980	5.6
105.07023	14.4
107.08603	15.5
108.56075	3.5
109.10168	21.3
111.08142	5.1
113.09651	60.3
117.07037	5.1
119.08573	11.5
121.10141	12.3
123.11698	10.3
125.09639	4.6
131.08588	7.2
133.10161	27.1
135.11722	9.3
137.13292	5.3
145.10095	6.8
147.06538	3.8
147.11719	20.1
149.09608	7.7
149.13269	12.6
151.11195	3.5
153.12769	4.5
159.11696	7.1
161.13322	5.3
163.14824	7.1
165.12744	9.6
167.14278	5.1
173.13240	7.2
177.16414	3.8
181.15810	4.2
233.22772	4.0
243.21172	8.3
248.69519	3.4
261.22186	17.0
279.23227	100.0
279.26340	5.2
353.26855	80.7
371.25986	6.0
372.34537	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01870	5.2
55.05515	29.5
57.03442	11.3
57.07074	6.7
59.04993	2.5
67.05508	72.3
69.03426	4.3
69.07067	32.0
69.43169	15.3
71.04987	3.9
71.08636	81.7
79.05498	30.4
79.05935	4.1
81.07061	83.2
81.07536	4.8
83.04963	6.3
83.08624	25.5
85.06537	4.6
91.05489	28.4
93.07052	30.5
95.04988	3.6
95.07985	2.8
95.08610	57.1
97.06521	11.6
97.10184	14.7
98.20773	4.4
99.08098	71.3
105.07048	24.8
105.80798	2.0
107.08598	30.3
109.06477	3.0
109.10157	32.7
111.08070	7.0
111.11750	3.3
113.09624	2.7
117.07001	4.0
119.08591	16.5
121.10147	17.7
123.08112	3.4
123.11715	11.1
125.09654	11.7
127.11212	3.2
131.08598	13.3
133.10118	5.0
135.11720	20.1
137.09639	2.3
137.13246	10.3
139.11211	2.0
145.10126	9.2
147.11691	46.2
149.09602	3.0
149.13248	10.6
151.14832	3.6
153.12718	11.8
159.11723	4.6
161.13263	5.0
163.11203	10.0
163.14838	20.4
165.12756	21.7
167.14313	4.2
173.11737	13.3
173.13300	9.8
173.49634	2.1
177.16374	2.6
179.14272	4.2
181.15900	9.2
183.03052	3.4
187.14835	4.0
189.11258	2.7
205.16014	1.9
207.13750	2.4
209.15446	3.2
225.27419	2.3
227.12790	3.2
233.22571	4.9
243.21107	19.0
245.13925	3.1
250.11067	2.1
255.19551	6.4
261.22174	36.7
279.23193	100.0
287.09241	2.9
292.11951	2.4
297.24072	2.5
299.99393	2.3
353.26892	91.5
366.35645	1.9
371.27878	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51651	0.6
53.03939	1.1
53.23248	0.6
55.01857	1.4
55.05502	2.9
56.19807	0.7
57.03444	0.9
57.07072	0.6
59.04985	0.8
61.02930	1.5
66.95904	0.6
67.05514	4.0
69.03437	6.2
69.07062	3.2
70.06593	10.3
71.04995	3.5
71.51413	0.7
71.51795	0.8
72.08157	4.6
73.02928	1.0
77.03934	0.7
79.05492	2.3
81.03426	2.4
81.07056	3.1
83.04979	3.0
83.06084	0.8
83.08638	0.8
84.04515	1.9
84.08153	4.1
84.96033	0.6
85.02913	14.9
85.06560	1.9
86.09698	7.5
87.04435	1.0
91.03935	0.8
91.05471	6.5
93.07053	7.8
95.04969	2.2
95.08614	46.3
97.02901	4.9
97.06535	9.7
97.39834	0.6
99.04488	1.3
99.08092	1.2
103.05483	1.8
105.07042	11.1
107.04949	2.3
107.08591	9.5
109.02891	1.6
109.06532	1.7
109.10155	4.8
110.07167	2.6
111.04465	1.0
115.05442	1.3
115.07594	0.8
116.07070	1.6
117.07011	0.8
119.08569	3.4
120.08129	1.4
121.06512	2.9
121.10145	8.4
123.04432	1.5
123.08056	1.9
123.11694	3.5
125.09623	1.2
127.03915	2.9
129.07007	1.6
129.10237	1.7
130.08661	1.8
131.04918	2.0
131.08575	8.6
132.05728	2.3
133.06473	2.8
133.10139	100.0
134.10495	1.3
135.04384	0.9
135.08081	2.9
135.11684	2.8
137.05980	3.2
137.09607	1.5
143.00166	0.8
143.08530	2.1
145.04973	3.9
145.10150	3.2
147.11700	3.5
149.05978	2.1
149.09637	2.4
149.13290	4.4
151.03900	1.6
151.11186	11.2
158.10919	4.0
159.08067	1.5
160.05206	0.9
161.05997	2.1
163.03954	0.7
163.14857	6.2
164.07098	1.0
167.07018	7.3
167.10677	0.9
172.05220	2.0
173.13272	34.2
174.13596	0.9
175.07570	1.6
177.05458	2.7
179.07132	1.2
180.07916	1.2
187.07553	5.4
191.07091	1.9
191.14322	37.6
192.07838	2.8
193.08626	3.4
209.08125	3.3
209.15392	9.4
217.08629	1.7
234.07051	0.8
239.06931	0.9
247.33597	0.7
249.09163	1.3
252.10202	1.1
261.09128	0.8
263.06967	1.2
264.07693	1.0
265.08566	1.2
277.08661	0.9
278.09439	0.8
279.10123	0.7
287.09100	0.7
293.11948	0.8
300.09979	1.1
307.09448	0.9
308.06931	0.7
309.11227	1.5
321.11267	1.4
339.12219	1.0
341.13916	1.6
353.13687	2.1
371.16885	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18142	0.8
53.03940	2.2
54.05923	0.8
55.01866	0.9
55.05501	3.8
56.54694	0.8
56.96549	1.3
57.03429	0.8
57.07056	1.5
67.05493	3.0
69.03429	5.4
69.07057	3.6
70.06599	8.8
70.86424	1.9
71.04977	1.7
72.08138	3.3
79.05499	5.0
81.03427	1.2
81.07052	5.8
83.04988	1.2
83.08623	2.0
84.04497	1.8
84.08132	6.8
85.02905	5.1
86.09709	7.1
87.49364	1.0
91.05471	7.1
93.07024	3.5
95.04966	1.6
95.08577	2.2
97.02856	2.6
98.97601	1.6
103.05431	1.9
105.07038	7.7
107.04956	5.0
107.08591	15.5
109.06528	6.3
109.10161	6.0
110.07153	2.5
111.04414	1.1
115.05437	2.6
117.03345	1.0
117.07018	3.8
119.04932	1.9
119.08576	2.9
120.08099	2.3
121.06493	2.9
121.10151	10.5
122.03668	1.2
122.07259	3.4
123.04475	1.2
123.08060	2.7
127.03905	0.9
129.06996	3.4
129.10233	3.9
131.04880	2.1
131.08556	3.6
132.05714	1.3
133.10136	100.0
135.08046	11.6
135.11720	1.3
137.05997	12.9
137.09622	55.5
142.46446	1.0
144.08075	6.0
145.02849	2.4
145.06483	1.5
147.11736	2.0
149.05937	2.6
149.09636	1.2
149.13257	11.5
151.03923	3.3
151.07506	1.2
151.11179	3.0
156.05679	3.8
159.08029	2.9
161.05962	2.6
163.03951	1.8
163.14824	2.2
165.05557	1.0
167.07048	16.9
171.99898	1.0
172.05164	1.2
173.13306	5.1
174.06845	1.2
175.07466	4.3
177.05472	8.5
181.08630	1.2
182.15347	1.2
187.07561	6.6
189.09113	2.2
191.07079	2.0
191.14307	38.4
192.07837	3.3
193.08636	1.7
199.07484	1.6
203.08542	0.9
206.07176	1.1
207.06474	1.7
209.15352	11.1
217.08662	7.9
223.07439	1.4
233.09630	1.9
234.06744	2.0
235.07506	1.4
239.07004	2.2
241.08549	1.6
247.07486	1.9
247.09744	2.2
249.09088	2.6
251.07176	1.2
252.07742	1.1
261.09070	2.4
263.06976	0.9
264.07867	1.6
265.08630	1.5
265.57745	1.9
269.07971	1.4
277.08633	2.5
278.09332	1.9
279.06390	1.1
279.10162	1.3
281.11816	2.4
281.15128	1.0
283.09845	1.2
285.07507	4.2
289.08499	1.6
293.11624	2.1
295.09787	2.0
300.09891	6.5
301.10504	1.6
306.08929	1.4
307.09766	1.3
309.11179	3.6
311.09067	2.1
313.10681	1.0
321.11157	4.3
323.09149	1.0
326.11478	2.3
339.05670	2.0
339.12381	2.1
341.13855	3.4
353.13934	8.3
354.07837	1.6
371.12753	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39682	1.1
53.03938	1.4
53.51870	1.0
55.01859	2.3
55.05510	3.3
64.96792	1.1
67.05514	2.2
69.03423	4.1
69.07079	2.4
69.43849	8.7
70.06599	7.0
71.05000	1.4
71.39896	1.2
72.08163	2.1
73.02911	1.4
79.05496	6.3
81.03398	1.5
81.07057	6.7
83.04998	2.0
84.08147	3.6
85.02895	4.2
85.06545	1.1
86.09708	4.0
89.03921	2.5
89.06091	1.6
91.05466	8.3
93.07047	4.2
95.04984	1.2
95.08627	2.6
97.06570	1.2
98.21519	1.3
103.05466	2.9
105.03341	1.2
105.07041	8.5
107.04944	5.8
107.08606	17.7
109.06521	5.5
109.10196	5.8
111.04420	1.9
115.05463	3.4
117.03382	2.6
117.07008	1.9
118.75816	1.1
119.04943	2.2
119.08604	4.0
120.08138	2.9
121.06480	2.7
121.08453	1.4
121.10146	12.1
122.07268	3.6
123.04414	2.6
123.08051	2.5
123.46762	1.1
128.06245	2.3
129.07011	2.9
129.10281	2.2
130.05013	1.1
131.04980	3.2
131.08592	3.9
132.05734	2.2
133.02878	3.6
133.06503	2.5
133.10138	100.0
134.03668	1.2
134.10466	1.9
135.04401	2.5
135.08051	11.2
135.11685	1.4
136.05183	1.7
137.05991	10.0
137.09624	61.8
143.08553	1.4
144.05737	1.6
145.02864	4.4
145.10146	1.4
147.04376	1.5
147.08093	1.8
147.11659	2.9
149.02328	6.2
149.05998	3.0
149.13257	11.1
150.06754	6.0
151.03920	4.7
151.07578	1.4
151.11174	1.2
156.05685	2.2
159.08099	3.1
160.05179	2.2
161.02359	1.9
161.05913	3.0
162.03218	1.7
163.03885	3.9
163.07512	1.9
163.14677	1.4
165.05527	1.4
167.07062	23.8
171.62178	1.2
173.13354	6.0
175.03906	2.1
175.07610	3.1
177.01889	4.4
177.05460	8.0
178.02618	1.8
178.05911	2.6
179.03452	1.7
179.07112	1.8
181.05022	1.7
187.07518	8.8
189.01839	5.3
191.07089	3.9
191.14322	38.6
192.07811	6.6
193.08696	2.1
207.06552	2.3
209.11761	1.4
209.15375	11.0
217.08626	6.0
218.07327	1.4
219.08075	1.9
221.09669	2.0
226.06444	1.3
231.08025	1.2
235.07671	1.7
237.05264	1.2
237.57314	1.3
247.09767	1.6
249.09096	2.1
250.09851	1.4
261.09122	3.2
265.04990	2.3
265.08798	1.8
266.08240	1.5
277.08582	1.4
278.09265	2.2
281.04712	1.3
281.11731	2.8
285.07449	2.5
293.08130	1.2
300.09875	2.9
307.09799	2.4
309.11264	3.4
321.11218	2.8
326.11340	2.0
327.08603	14.6
339.12314	2.5
341.13965	5.7
353.06635	6.6
353.13760	3.7
371.07617	18.4
371.13202	21.4
371.22021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	4.2
55.01863	4.6
55.05499	3.2
56.46569	1.1
57.03439	6.9
59.05003	0.9
61.02929	11.0
67.05488	3.3
68.09887	1.0
69.03429	32.8
69.07067	11.1
69.83182	5.6
70.06590	1.8
71.01331	1.1
71.04992	4.4
73.02910	3.6
79.05500	5.7
81.03426	13.3
81.07047	6.6
83.01378	1.4
83.04988	1.3
83.08599	3.9
85.02905	96.9
86.09707	1.4
87.04471	7.2
91.03963	5.9
91.05483	4.1
93.07046	5.2
95.04975	18.1
95.08632	6.0
97.02891	35.0
97.06544	2.3
99.04457	6.5
103.05447	1.7
105.07034	6.3
107.04939	4.0
107.08617	7.1
109.02884	9.3
109.06515	8.3
109.10149	3.1
111.04414	2.2
115.05415	1.8
119.08578	4.9
121.06493	9.1
121.10154	4.0
122.07267	4.3
123.04483	1.4
123.08062	19.2
123.11739	1.4
125.05945	1.4
125.09662	1.0
126.63138	0.9
127.03915	25.8
129.05464	3.0
129.07028	1.6
131.04910	2.3
131.08607	2.7
132.05704	2.0
133.10121	6.3
135.08049	33.2
135.11714	3.8
137.05946	6.2
137.09618	1.5
145.04956	44.7
147.11707	6.4
148.11821	1.0
149.05948	1.3
149.09625	3.6
149.13214	2.8
151.03914	1.5
151.07555	1.7
159.08081	1.6
161.06036	2.0
163.06030	3.3
163.14828	3.1
165.05376	1.2
165.12752	61.7
167.07043	13.2
173.13278	1.7
175.07544	2.5
175.14862	5.1
176.11980	4.2
177.05501	2.8
178.05789	1.9
187.07553	3.7
191.07060	2.5
191.14307	100.0
192.07800	3.2
193.12222	2.4
193.15894	12.0
207.13896	1.9
209.15349	16.0
217.08638	3.5
220.08629	1.1
221.09538	1.8
231.07956	1.2
233.09579	1.6
235.07553	1.3
247.09554	1.3
249.09077	1.4
261.09171	1.4
263.06897	1.5
264.07935	1.5
277.08453	1.4
281.11844	1.3
285.07529	2.5
300.09750	2.0
309.11310	2.0
309.17023	2.8
321.11118	1.7
326.11584	1.8
327.18039	3.2
339.12259	1.6
341.13797	2.3
353.13840	3.9
371.15387	3.0
371.20654	82.9
372.21136	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.8
55.05495	5.6
65.03925	1.8
67.05492	3.1
67.68305	1.4
69.03416	6.1
69.07033	4.9
70.06605	11.3
71.51846	3.3
72.08140	5.1
78.04712	2.1
79.05501	11.5
81.03420	3.4
81.07058	7.6
83.04999	2.4
84.04506	1.9
84.08139	9.8
85.02881	6.3
86.09727	10.2
89.03896	2.0
91.05468	10.4
93.07069	7.8
95.04981	2.8
95.08604	5.1
97.02864	4.0
97.06505	1.9
97.07644	1.6
98.97564	2.2
103.05437	5.1
105.07043	9.6
106.04134	1.8
107.04948	16.7
107.08611	9.7
109.02952	1.8
109.06504	3.5
109.10123	3.9
110.07148	2.0
111.04449	3.3
115.05457	4.8
117.03333	2.6
117.07030	2.4
119.01898	2.1
119.04913	5.3
119.08587	4.8
121.06470	5.7
121.10162	7.7
122.07191	2.0
123.04390	4.8
123.08040	3.0
123.11741	1.6
124.05183	2.2
125.05968	2.3
128.06209	2.6
129.05490	2.4
129.06966	6.7
129.10205	4.4
131.04961	11.0
131.08554	5.0
132.05717	7.7
133.02782	1.7
133.06453	6.2
133.10139	50.9
135.04407	3.3
135.08063	9.7
137.05994	29.0
137.09625	34.5
143.08446	1.7
145.02847	5.0
145.06491	2.2
147.04407	3.9
147.06459	1.8
147.08084	2.0
147.11646	6.6
149.05934	4.3
149.09613	2.8
149.13336	9.7
151.03871	4.6
151.05005	1.9
151.07523	3.4
152.04651	2.8
156.05653	5.6
157.06441	3.7
159.08054	5.6
160.05188	5.9
161.05965	4.8
161.09694	2.2
163.03835	3.8
163.07498	2.1
163.14828	2.6
165.05467	3.1
167.07051	50.0
172.05104	2.2
173.13199	4.6
175.03897	2.7
175.07538	11.6
177.05496	9.6
177.06750	1.6
179.06975	3.2
180.07745	3.7
181.04945	3.1
181.08701	2.1
187.03871	2.6
187.07559	16.9
189.07043	2.6
189.08986	3.4
190.07698	2.0
191.07059	8.5
191.08472	2.2
191.14320	38.3
192.07822	19.9
193.08524	3.3
199.07523	3.8
202.06129	2.0
203.08620	2.4
206.07182	2.0
207.06503	6.5
209.15343	6.7
211.07530	2.7
215.08719	2.3
217.08620	17.4
218.07195	5.8
219.07990	3.2
219.09993	1.9
221.09575	3.7
231.08066	3.3
233.09625	3.9
234.06734	4.7
235.07452	6.9
236.08142	2.8
239.07082	3.9
241.08563	3.5
245.05864	2.1
246.06670	3.9
247.07425	5.0
247.09665	5.4
248.08365	1.8
249.09157	7.6
250.06198	2.2
250.09846	2.4
251.07045	3.7
251.10608	2.0
252.07909	2.0
257.08057	2.4
261.09024	6.4
263.06995	5.1
264.07733	2.4
265.08664	3.6
269.08011	2.8
277.08511	9.0
278.09277	5.2
279.06473	1.7
279.10107	4.0
279.42126	1.9
281.11667	3.2
285.00772	1.7
285.07693	9.3
285.12943	4.5
287.03745	4.4
289.08435	2.2
291.09897	2.3
293.08304	2.4
293.11676	4.6
295.09549	2.0
300.09973	9.6
301.10526	4.3
306.08701	2.3
307.09665	3.5
308.10571	1.6
309.11206	9.3
310.07864	1.8
311.09225	1.9
311.12576	3.1
313.10675	2.1
321.07416	4.6
321.11130	11.7
322.11752	2.2
323.09073	3.4
325.10712	3.3
326.11423	3.7
327.14182	22.2
339.08563	3.1
339.12228	7.1
341.10135	2.1
341.13788	11.3
353.09998	4.0
353.13690	15.3
371.13113	100.0
371.20819	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.2
67.05487	2.3
69.03424	2.7
69.07066	2.9
70.06585	6.6
71.04964	2.5
72.08138	2.9
79.05482	10.9
81.07024	3.2
84.08163	3.4
85.02886	3.2
86.09689	3.1
91.05476	15.3
93.06465	2.4
93.07017	3.0
94.04181	4.3
95.04962	3.9
95.08604	3.5
97.02898	4.0
103.05459	4.4
105.07014	6.1
107.04961	19.1
109.06514	4.1
115.05470	5.8
116.06187	2.6
117.07013	3.2
119.04915	5.8
121.06474	3.6
122.02773	3.8
122.03632	9.3
123.04440	2.5
124.05229	5.6
128.06224	5.6
129.06990	12.7
131.04898	8.2
131.08540	11.2
132.05713	7.2
133.06464	2.5
137.05980	100.0
141.06973	3.7
144.05742	9.9
147.04358	5.0
149.05988	4.7
151.03896	7.1
151.07533	5.4
153.05501	3.1
155.06024	2.1
156.05710	26.3
157.06451	8.2
159.04384	2.3
159.08061	18.1
160.05220	5.8
161.05959	7.7
163.03976	2.2
165.05591	2.6
165.06966	3.6
165.09195	2.0
167.07039	60.2
167.08432	3.9
169.06416	3.9
169.07718	2.8
172.05203	3.6
173.05887	4.9
174.06735	6.6
175.07582	14.0
177.05486	10.8
178.07790	4.5
179.06990	9.0
179.08482	4.6
180.07454	7.2
181.06544	2.8
184.05232	4.1
186.06828	3.0
187.07576	23.9
189.06935	4.5
189.09105	7.2
190.07845	4.7
191.06953	5.1
191.08601	5.2
192.07884	10.0
193.08572	4.3
199.07526	2.6
201.09048	3.0
202.06180	6.5
202.07855	4.8
203.06889	3.2
203.08545	10.2
204.07820	2.3
205.06520	4.5
205.08556	4.9
205.10265	2.7
206.07257	5.5
207.08061	3.3
210.06610	2.4
211.07510	6.1
215.06914	4.5
215.08691	3.9
217.08583	77.4
218.07224	11.5
219.08025	9.2
219.10135	6.6
221.09660	10.4
223.07596	4.2
224.04651	3.2
226.06291	2.7
229.08566	3.1
231.08092	11.5
232.08847	4.7
233.05994	3.7
233.09657	13.3
234.06740	10.9
235.07513	14.9
236.08200	2.7
237.05611	3.8
238.09888	2.7
239.07043	24.7
240.07745	2.2
241.08636	13.7
242.05804	6.1
245.06049	3.0
246.06717	5.7
247.07460	5.9
247.09662	27.9
248.08313	4.4
249.09128	22.2
250.09929	5.7
251.06975	4.9
252.07716	8.5
255.06422	2.8
257.08066	5.9
259.07468	3.6
260.08331	4.5
261.09119	26.1
262.06320	5.5
262.09784	2.5
263.07053	13.8
263.10629	5.3
264.07788	4.4
265.08643	4.5
266.09326	8.5
269.08087	8.6
271.06006	6.2
275.10590	2.8
275.27716	2.1
276.07697	3.2
277.08585	24.6
278.06439	1.8
278.09274	13.3
279.06534	5.4
279.09979	3.5
280.07272	4.9
281.11673	8.9
283.09760	3.1
285.07587	57.1
286.08109	3.7
288.07614	2.3
289.08603	11.4
291.06454	4.3
291.10022	3.4
292.10770	3.4
293.08051	6.8
293.11673	19.1
294.08737	4.3
295.09592	4.7
298.08249	3.8
300.09924	71.9
301.10654	13.7
303.10138	2.3
305.08011	2.3
306.08810	5.5
307.09592	10.0
309.11176	29.4
311.08994	4.4
313.10699	12.0
321.11209	34.4
322.11755	3.3
323.09100	9.6
326.11407	17.4
327.11969	2.6
338.11588	7.8
339.12018	5.6
341.13824	18.6
353.13818	64.7
354.14355	2.3
371.10678	2.3
371.14941	30.9
371.22272	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	371.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
64.90396	1.6
70.57142	5.2
71.04982	1.8
77.03922	1.7
79.05489	10.9
81.07046	4.8
85.02896	2.4
91.05466	9.3
94.04211	3.4
95.04985	1.9
97.02861	1.6
103.05460	2.9
105.07020	4.1
107.04960	18.2
109.06526	2.6
111.04519	1.8
115.05469	4.8
116.06229	4.4
117.03351	1.9
117.07026	3.6
121.06487	1.8
122.03629	8.1
124.05204	2.0
125.05998	2.2
127.04007	1.7
128.06195	4.9
128.54196	1.6
129.07039	12.7
131.04945	3.7
131.08556	9.7
133.02875	2.0
133.06468	2.8
135.04382	1.7
137.05975	100.0
141.06996	5.2
143.04872	1.8
144.05742	8.4
145.02840	3.1
145.06458	4.0
147.04388	2.0
149.05991	4.8
151.03886	4.3
151.07536	1.9
152.04721	2.1
156.05705	23.9
157.06546	8.3
158.07262	3.9
159.03030	1.7
159.08044	21.1
160.05170	4.6
161.05934	2.8
163.03865	1.8
167.07043	41.3
169.06476	3.4
172.05161	5.5
173.05957	2.8
174.06779	7.1
175.07545	10.9
177.05455	7.6
178.07835	5.7
179.06978	2.7
181.06415	2.8
184.05238	4.4
186.06781	5.3
187.07555	25.9
187.36150	1.7
189.07013	5.0
189.09029	8.0
190.07777	3.6
191.07016	3.2
193.10242	2.6
193.12180	2.7
195.06512	1.6
195.08112	2.7
196.05284	2.7
198.06755	3.3
199.07565	2.0
201.09195	4.1
202.06215	9.4
202.07773	2.8
203.06926	2.1
203.08601	9.1
204.07758	3.4
205.06665	2.7
205.08589	5.4
205.10240	2.9
206.07216	6.0
207.08058	4.5
209.07921	3.0
210.06737	1.7
211.07574	6.5
215.06938	6.6
215.08644	6.4
217.06664	4.2
217.08586	74.2
218.07249	12.5
219.08031	8.8
219.10152	4.3
221.09595	9.2
223.07539	4.3
224.04701	3.4
225.05421	1.9
226.06248	6.7
227.07014	2.5
231.08078	10.4
232.08893	3.8
233.06010	2.6
233.09532	14.6
234.06764	13.7
235.07544	12.7
236.08221	1.9
237.05470	2.9
237.09178	2.3
238.09940	3.6
239.07034	22.8
239.10570	2.0
241.08551	15.5
242.05565	3.9
243.08197	2.4
245.05931	2.5
246.06847	4.9
247.07460	6.1
247.09668	30.4
248.08325	6.3
249.09106	22.8
250.06194	3.2
250.09900	5.1
251.07001	5.6
252.07858	7.5
256.03735	2.1
256.07297	2.1
257.08133	5.8
260.08313	5.3
261.09146	24.0
262.06262	3.7
262.09735	2.8
263.07019	15.9
263.10562	4.6
264.07785	2.5
265.08542	3.8
266.09418	8.6
269.08066	7.1
271.06079	6.4
274.06274	2.2
277.08597	22.7
278.09396	15.2
279.06485	4.8
279.10068	4.8
280.07300	6.4
281.08322	2.0
281.11713	8.8
283.09512	2.7
285.07587	60.5
286.08200	3.8
289.08554	11.3
290.09363	2.5
291.06467	4.2
291.10172	4.8
292.07312	2.2
292.10797	3.6
293.08032	6.5
293.11710	20.9
294.08804	6.8
295.06424	2.0
295.09644	7.1
298.08286	4.1
300.09903	68.2
301.10706	15.8
306.08936	7.6
307.09744	7.6
308.06915	1.7
309.11160	29.2
311.09109	6.4
311.12494	2.1
312.09665	1.7
313.10672	13.3
321.11203	31.1
322.12006	4.9
323.09103	10.7
325.10745	2.7
326.11441	16.0
327.12344	1.9
338.11526	7.8
339.12271	4.7
341.10052	3.7
341.13763	17.9
343.15482	2.3
353.13840	67.7
371.14972	31.3
371.25488	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Fragransol D
Peak:m/z	Relative Intensity
53.03958	2.8
55.01866	2.4
55.05510	2.0
56.96562	1.5
57.32283	1.2
62.94287	1.0
65.03921	2.2
66.04733	1.0
67.05495	1.8
69.03422	5.2
69.07066	1.6
69.87093	6.6
70.06597	5.6
71.05002	1.8
72.08179	1.4
78.04710	2.0
79.05493	9.5
81.07052	4.7
84.08128	3.6
85.02898	3.9
86.09713	4.0
89.03912	1.4
91.05482	13.9
93.07041	2.5
94.04204	1.9
94.50983	1.1
95.04966	4.1
95.08624	2.6
97.02906	2.0
97.06517	1.3
98.21409	2.1
98.97562	1.6
103.05464	3.9
105.04510	1.4
105.07054	8.3
107.04967	18.0
109.06512	2.7
111.04446	2.6
115.05472	4.8
116.06207	1.3
117.03403	1.7
117.07052	2.7
119.04955	1.5
119.08573	3.0
121.06505	2.8
121.10147	1.7
122.03648	4.3
123.04427	6.3
123.08118	1.2
124.05210	2.8
125.06039	1.6
125.09682	1.3
128.06270	3.9
129.05502	1.3
129.07016	13.7
129.10323	1.3
130.04182	1.2
131.04927	7.2
131.08577	7.7
132.05727	2.5
133.06506	4.6
133.10147	2.1
134.03606	1.9
135.04436	2.2
137.05984	46.5
141.06995	3.4
143.04906	2.3
143.08578	1.2
144.05714	5.2
145.02829	2.4
145.06505	3.2
147.04417	3.4
147.08061	3.0
149.05988	5.7
151.03923	6.5
151.07521	3.8
152.04672	2.4
153.05449	3.6
155.07117	1.7
156.05701	10.5
157.06488	2.9
158.07181	1.4
159.04437	1.4
159.08060	13.3
160.05215	3.2
161.05971	10.7
163.03908	4.2
163.07561	2.0
165.05492	2.2
165.06941	1.5
167.07050	100.0
169.06409	2.4
169.07718	1.8
171.07968	1.3
172.05186	4.7
173.05997	2.5
174.06770	3.5
175.07579	18.6
177.05487	13.6
178.07811	2.0
179.07079	3.1
181.06480	1.9
181.08665	1.9
184.05240	2.0
187.07544	27.2
189.07069	2.4
189.09125	5.0
190.07747	3.1
191.07062	6.5
191.08595	2.6
191.14296	1.3
192.07800	5.7
193.08588	2.5
193.10197	2.2
193.20555	1.1
199.07559	6.6
201.09108	1.7
202.06238	2.5
202.07866	2.8
203.06963	1.3
203.08577	8.0
205.06583	2.6
205.08553	3.3
205.10257	2.2
206.07300	4.1
207.06387	2.2
207.08093	2.7
209.08127	2.7
209.15405	2.6
211.07567	2.0
215.08556	3.3
217.06664	1.6
217.08604	33.5
218.07190	8.4
219.08102	6.8
219.10008	2.1
220.08881	2.7
221.06102	1.4
221.09689	7.8
223.07579	2.7
224.04741	2.0
226.06265	1.9
231.08043	5.7
232.08864	2.0
233.06091	2.5
233.09645	9.9
234.06773	7.6
235.07585	7.6
235.11223	1.2
236.08275	1.6
239.07053	10.7
241.08594	5.1
242.05733	2.6
246.06770	3.8
247.07489	5.1
247.09717	11.6
248.08104	2.3
249.09126	14.4
250.09941	1.6
251.07030	5.9
251.10828	1.3
252.07686	5.8
253.08705	1.3
256.03714	1.7
257.08185	1.8
260.08331	4.1
261.09137	13.9
262.06314	3.2
262.09921	3.4
263.07077	8.0
263.10632	2.6
264.07794	3.6
265.08560	4.7
266.09265	4.0
267.10199	1.9
269.08054	3.5
271.06015	1.5
275.06973	2.1
276.07858	2.6
277.08566	13.6
278.05753	1.1
278.09335	7.3
279.06604	2.9
279.09918	2.8
280.07315	2.8
281.08282	1.9
281.11740	14.8
283.09677	1.4
285.07605	23.4
286.08319	1.9
288.07947	1.7
289.08679	6.7
290.09241	1.8
291.06647	2.2
291.10175	3.6
292.07361	1.9
292.10791	2.6
293.08456	2.1
293.11710	12.0
294.08936	3.0
295.09573	2.8
300.09900	29.7
301.10843	7.4
305.08267	1.8
306.08810	4.1
307.09503	7.0
308.10098	1.3
309.11221	23.4
310.12036	1.3
311.09064	2.8
311.12585	2.0
313.10678	5.5
321.07578	2.4
321.11157	21.0
322.11887	2.6
323.09067	3.6
325.10876	2.0
326.11478	10.9
327.08725	2.0
327.12384	1.6
338.11496	3.6
339.12244	7.0
341.10052	2.8
341.13846	22.9
343.76102	1.3
353.09894	2.2
353.13864	34.2
354.14139	1.7
371.07138	1.6
371.10873	4.0
371.14932	18.2
371.22238	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64020	2.1
53.03949	4.8
55.01864	4.3
55.05494	6.4
56.96556	2.9
57.03430	2.5
67.05501	3.2
69.03416	8.0
69.07065	3.1
70.06592	16.6
72.08154	5.4
76.41663	2.6
78.04719	3.1
79.05498	15.8
81.03412	12.3
81.07047	7.4
82.47717	2.2
83.04971	4.2
83.08619	2.9
84.08140	9.2
85.02896	7.8
86.09671	10.9
91.05469	20.6
94.04179	5.7
95.04980	5.6
95.08594	3.3
97.02896	3.9
100.11249	8.6
103.05468	12.9
104.42523	2.2
105.07011	10.1
107.04964	27.8
107.08610	2.7
109.06506	6.9
110.07160	4.9
111.04433	3.9
115.05443	7.8
116.06271	2.7
116.07086	3.4
117.03413	4.1
117.07037	3.3
119.04929	6.4
119.08551	2.1
120.08110	4.2
121.06487	9.4
121.10196	2.4
122.03635	10.7
122.68198	2.5
123.04413	6.0
124.05228	4.2
125.06003	4.2
128.06215	7.5
129.05441	3.0
129.07005	16.5
129.10242	3.3
131.04919	25.4
131.08559	12.7
132.05717	20.6
133.02866	2.4
133.06485	6.9
133.10107	3.9
135.04434	2.3
136.07536	2.2
137.05980	100.0
141.07018	3.9
143.08406	2.4
144.05653	10.5
145.06496	7.1
145.10034	2.5
147.04393	7.8
147.08037	3.0
149.05988	11.7
149.09554	2.2
151.03816	4.4
151.07530	7.0
152.04721	4.0
153.05508	5.6
153.06839	2.3
156.05707	23.4
157.06444	4.5
158.07207	3.4
159.08034	22.0
160.05209	14.1
161.06000	12.0
161.09575	4.1
161.34476	2.1
163.03931	7.0
163.07549	4.4
165.05551	3.0
165.06961	2.6
165.46611	2.2
167.07045	82.9
169.06447	3.9
172.05202	5.5
173.13120	3.6
174.06789	6.7
175.03886	3.6
175.07520	18.2
176.04703	3.1
177.05467	22.0
178.07726	3.7
179.07037	6.5
180.07732	3.5
181.04942	3.8
181.06599	2.3
181.08551	5.2
182.15408	2.3
184.05179	3.3
186.06725	3.1
187.03976	4.0
187.07565	39.4
189.06964	3.3
189.09084	9.2
190.07768	5.3
191.06955	16.6
191.08566	2.7
191.14282	4.6
192.07811	60.5
193.08624	12.0
193.10136	2.8
195.06401	3.0
197.06059	2.9
198.06801	4.1
199.07516	3.1
201.09035	3.3
202.06219	6.5
202.07802	6.1
203.06880	2.4
203.08559	10.7
204.06422	2.6
205.06660	4.2
205.08536	5.8
205.10243	4.8
206.07249	6.2
207.06456	8.8
207.08131	3.6
209.07994	2.8
209.15443	4.4
210.06735	3.2
211.07487	5.5
215.06854	4.6
215.08598	7.6
217.08586	85.2
217.10701	4.7
218.07265	14.7
219.08014	7.7
219.10034	4.4
221.09692	12.5
223.07480	6.2
224.04570	4.6
224.08261	3.4
226.06241	6.3
229.08682	3.7
231.07983	10.9
232.08846	7.8
233.06084	3.8
233.09601	16.1
234.06795	17.3
235.07491	12.0
236.08319	2.4
237.05377	3.2
237.09148	4.0
239.07022	25.1
241.08580	12.5
242.05554	5.2
243.08321	2.7
246.06828	8.0
247.07515	8.5
247.09686	29.9
248.08299	5.8
249.09164	23.5
250.06165	2.4
250.09833	5.2
251.07135	12.6
251.10710	3.8
252.07761	8.0
253.05069	3.3
257.08060	6.8
260.08380	7.9
261.09131	30.4
262.06216	5.8
262.09732	4.4
263.07028	16.0
263.10687	3.3
264.07733	5.9
265.08612	8.4
266.09396	7.3
267.06427	3.0
269.08099	8.8
270.05539	2.3
271.06085	5.5
276.07831	3.6
276.72906	3.6
277.08551	23.5
278.09317	18.4
279.06561	7.6
279.10175	4.0
280.07211	4.1
281.08591	3.4
281.11664	12.7
281.14566	2.8
283.09711	4.4
285.07571	59.2
286.08142	3.7
289.08612	10.9
291.06512	3.7
291.10089	6.8
292.10873	2.8
293.08026	7.7
293.11670	21.5
294.08832	4.2
295.09546	5.5
298.08310	3.2
300.09909	72.3
301.10684	17.2
305.08005	2.8
306.08871	7.8
307.09564	9.4
309.11191	33.8
311.09174	5.8
311.12415	3.5
313.10703	12.4
321.07678	4.1
321.11194	42.2
322.11993	4.9
323.09155	8.8
325.10611	3.7
326.11456	23.6
338.11429	7.0
339.12164	5.6
341.10071	4.9
341.13773	28.3
353.10123	4.8
353.13837	67.9
362.27386	4.0
371.11029	12.1
371.15021	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Fragransol D
Peak:m/z	Relative Intensity
52.45084	1.4
53.03943	1.8
55.01871	3.2
55.05513	2.1
61.35811	1.5
65.03925	2.5
67.05490	3.2
69.03414	2.4
69.07027	1.7
69.83179	3.5
69.83588	4.6
70.06568	1.6
71.04974	2.0
72.08150	1.9
79.05486	9.0
81.07052	3.4
82.80137	1.5
91.05456	7.9
93.07018	3.1
94.04195	2.4
95.04972	3.7
95.08601	2.1
96.55032	1.6
98.97591	1.5
103.05492	2.7
105.07011	5.6
107.04968	17.1
107.08571	1.5
109.06510	4.3
110.07260	1.5
111.04449	2.0
115.05420	4.3
115.66822	1.4
116.06207	4.8
117.06976	1.6
119.04913	2.1
121.06508	3.0
122.03621	8.3
123.04401	3.4
123.08073	1.8
124.05196	3.2
125.05977	3.1
128.06227	6.1
129.07004	12.1
131.04895	5.9
131.08572	11.0
133.06496	2.7
137.05980	100.0
138.93806	1.6
141.06996	4.9
143.08507	1.9
144.05713	9.9
145.06439	5.4
149.06029	2.3
151.03909	5.3
151.07513	4.7
152.04654	2.1
153.05489	4.0
156.05708	22.2
157.06468	6.3
158.07283	2.2
159.08047	18.8
160.05164	2.3
161.05960	4.8
163.03853	3.0
163.07458	2.9
165.05597	2.5
165.07088	2.4
167.07047	49.1
169.06422	2.1
169.07678	1.6
172.05130	5.9
173.05879	3.0
174.06747	5.7
175.07562	12.1
176.04761	1.7
177.05473	5.6
178.07747	5.8
179.07068	2.2
179.08553	1.7
184.05179	3.0
186.06754	3.1
187.07536	22.9
189.07050	3.4
189.09061	6.4
190.07771	4.1
191.06972	2.4
191.08606	3.3
191.14313	2.8
192.07796	4.5
193.10110	2.3
195.06529	3.5
195.08073	2.6
198.06740	2.8
199.07516	3.3
201.09172	2.1
202.06247	9.0
202.07855	2.4
203.08623	8.7
204.07678	2.1
205.06543	4.1
205.08559	5.0
205.10245	2.8
206.07236	5.2
207.08170	3.5
207.10083	1.6
208.08824	2.1
211.07578	4.2
215.06914	5.0
215.08633	6.3
217.06778	3.1
217.08589	89.2
218.07262	12.0
218.09102	2.2
219.07985	9.3
219.10164	6.5
221.06151	1.8
221.09698	7.1
223.07542	3.7
224.04713	2.4
224.08282	2.9
226.06206	3.7
227.06859	2.2
229.08560	2.7
231.08138	9.6
232.08829	4.7
233.06097	2.8
233.09659	14.1
234.06674	9.3
235.07562	8.3
236.08095	2.7
237.05507	2.0
237.09016	1.7
238.09889	3.4
239.07022	20.3
240.07790	2.1
241.08604	10.7
242.05757	4.5
246.06682	5.7
247.07443	5.3
247.09630	28.9
248.08249	6.0
249.09093	23.7
250.06169	2.5
250.09782	4.4
251.07048	5.4
251.10698	1.7
252.07732	6.9
255.06538	2.9
257.08047	5.0
259.07367	1.9
260.08304	5.6
261.09128	25.9
262.06213	3.3
262.09692	1.9
263.06985	11.2
263.10562	2.5
264.07568	1.9
265.08496	5.7
266.09351	6.3
269.07971	7.2
271.06042	5.6
275.07098	2.9
275.10559	2.1
276.07584	2.1
277.08572	21.9
278.09387	12.6
279.06522	6.0
279.10123	5.9
280.07227	4.9
281.08902	1.6
281.11713	10.8
283.09659	4.9
285.07544	57.4
285.10693	3.2
286.08228	2.5
289.08594	10.8
290.09235	3.2
291.06638	3.9
291.10071	5.7
292.07379	2.7
292.83044	1.7
293.08295	3.6
293.11652	20.8
294.08832	5.3
295.09567	6.4
298.08469	2.8
299.09091	2.2
300.09915	66.2
301.10736	16.1
305.08066	1.7
306.08789	6.9
307.09500	6.8
308.06668	2.4
309.07755	2.2
309.11188	26.7
310.11893	2.0
311.09055	4.8
311.12573	2.1
313.10641	10.3
321.07919	1.8
321.11194	36.2
321.14944	2.0
322.11819	4.1
323.09384	8.4
325.10437	2.0
326.11496	24.9
327.12012	3.7
338.11414	8.3
339.12241	5.2
341.10080	3.4
341.13770	18.7
343.15439	2.2
353.13852	72.6
354.14267	2.2
371.14847	32.5
371.19806	2.2
371.25739	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05400	2.3
53.03953	3.7
55.05500	2.6
59.30285	2.2
65.03925	5.9
66.91908	2.3
67.05499	6.2
68.33587	2.5
69.03421	7.1
69.07056	3.1
69.62083	2.5
70.06599	2.7
70.40615	2.5
71.03155	2.9
71.03488	2.6
71.04998	2.4
78.04700	5.1
79.05486	14.5
81.03428	4.4
81.07048	6.4
85.02930	11.7
89.03928	3.6
91.05482	15.5
93.07049	5.3
94.04183	3.7
95.04964	5.4
97.02866	6.6
98.55957	2.3
103.05466	3.7
105.07047	7.7
107.04966	22.4
107.08601	3.1
109.06499	6.4
109.10155	4.7
110.07121	2.4
110.27654	2.5
111.04434	3.6
115.05459	6.3
117.03390	7.8
117.07051	3.4
119.04976	2.4
119.08588	4.8
120.08071	2.6
121.06480	5.8
122.03661	7.1
123.04406	4.6
124.05253	3.3
125.05927	3.7
125.17474	2.5
128.06230	7.7
129.05556	4.1
129.07039	13.8
131.04910	7.9
131.08589	12.8
132.05687	4.8
133.06476	3.4
135.04390	3.8
135.08098	3.8
137.05981	100.0
137.09558	5.8
141.06985	6.2
143.04970	3.4
144.05693	9.0
145.02834	14.5
145.06451	4.6
146.03181	4.7
147.03334	3.8
147.11667	3.4
149.05975	7.1
151.03928	29.7
151.07544	4.8
152.04680	4.6
153.05508	3.6
156.05702	23.0
157.06491	8.3
159.04474	2.7
159.08051	15.5
160.05182	3.1
161.05997	5.9
163.03937	3.3
164.80035	2.8
165.12738	3.2
165.14061	2.6
167.07036	72.1
169.06358	3.3
169.07661	2.8
172.05173	3.7
173.05913	3.8
174.06721	5.5
175.07539	15.1
177.05453	28.6
178.05798	11.4
178.07722	3.2
178.49698	2.3
179.05901	13.7
181.04942	4.2
181.06464	3.2
181.08632	4.3
184.05183	4.1
187.07573	31.2
189.07080	4.5
189.09079	10.2
190.07732	3.7
191.07031	6.1
191.08632	4.2
191.14317	9.4
193.08595	4.8
193.10217	3.7
194.02696	3.5
194.82140	2.6
195.06491	2.8
199.07564	2.9
202.06268	7.0
202.07898	5.4
203.08592	7.0
204.07672	3.1
205.06555	4.0
205.08498	3.8
205.10210	4.0
206.07219	2.8
207.08067	6.0
211.07547	6.6
215.06995	6.8
215.08737	5.2
217.06563	5.9
217.08609	80.7
218.07253	11.6
219.08070	6.7
219.10118	4.3
221.09665	11.9
223.07625	4.9
224.04488	3.1
226.06209	3.7
229.08632	4.0
231.08063	10.6
232.08978	6.5
233.05933	3.8
233.09637	14.8
234.06783	12.3
235.07538	11.2
239.07036	23.2
241.06357	3.0
241.08504	17.3
242.05771	5.9
246.06747	6.2
247.07507	6.1
247.09703	25.4
248.08342	7.8
249.09111	21.3
250.06201	4.2
250.09885	3.8
251.07053	9.3
252.07843	10.2
255.06487	2.9
257.08130	6.6
260.08334	7.8
261.09088	23.5
262.06247	4.2
262.09793	5.1
263.07028	13.7
263.10294	2.9
264.07693	4.1
265.08624	6.9
266.09354	5.4
267.05835	2.6
269.08118	8.0
271.06052	8.8
276.07492	2.4
277.08560	22.6
278.09396	13.6
279.06406	7.1
279.09793	4.5
280.07339	5.1
281.08615	3.4
281.11713	11.7
285.07562	59.4
288.07669	3.1
289.08679	11.3
290.09271	4.1
291.06607	2.8
291.10193	5.1
292.07678	4.2
293.08157	7.1
293.11713	24.4
294.08817	4.4
295.09622	7.2
298.08136	3.6
300.09912	70.2
301.10803	17.7
306.08875	7.5
307.09558	7.2
309.11169	27.5
310.11581	3.4
311.09079	6.0
313.10666	10.6
321.11227	35.2
322.11957	5.6
323.09012	7.9
325.10876	3.3
326.11566	20.9
338.11444	7.2
339.12167	3.4
341.13782	28.0
353.10361	3.6
353.13821	69.3
354.14230	2.8
370.80801	2.9
371.14883	30.4
371.20099	4.5
371.25003	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	370.3317
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
55.05530	1.1
57.07076	5.8
57.16682	0.5
64.44877	0.5
65.03947	1.1
67.05516	2.5
69.07069	2.6
70.98250	1.2
71.08633	4.4
72.56240	0.5
79.05479	0.9
81.07065	3.0
83.08638	2.6
85.10177	2.0
86.09710	100.0
91.05485	39.8
95.08624	4.1
97.10171	1.2
98.21278	0.7
106.06536	0.8
107.09302	0.5
108.08119	4.6
108.10953	0.5
109.10179	1.8
123.11691	0.7
132.10211	61.3
160.71146	0.6
186.48189	0.5
239.23779	0.7
272.21973	0.5
324.32584	0.7
360.43784	0.5
370.30740	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	371.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	2.0
71.03019	1.4
72.08139	1.0
79.05483	1.0
84.08159	1.4
85.02898	0.8
86.09699	1.4
90.05715	0.6
91.05474	1.3
105.07033	1.2
107.04947	1.8
107.08614	0.7
109.06516	0.8
109.10185	0.8
115.46218	0.6
119.04913	0.7
120.08099	0.7
129.06982	0.8
129.10237	0.6
130.04988	0.7
131.01895	0.5
131.04996	0.7
132.05731	1.0
133.10136	2.7
137.05981	2.0
137.09618	1.5
151.03908	1.2
155.64493	0.6
161.06000	0.8
167.07040	6.4
175.07491	1.1
177.05453	1.6
177.99344	0.6
181.14267	0.6
187.07568	2.5
191.14293	1.8
192.07841	1.0
199.07506	0.8
203.04131	0.6
207.06505	0.7
215.08716	0.7
217.08600	1.5
249.09193	0.7
271.04190	0.7
285.13120	1.2
303.12845	1.4
309.11072	1.0
321.11380	0.8
327.08466	0.8
327.14145	17.8
339.12512	0.9
341.13824	1.1
353.13800	1.6
371.13147	100.0
372.13733	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46643	1.3
53.03930	4.5
55.01870	5.8
55.05507	2.5
56.96572	1.6
57.03429	3.6
61.02919	2.7
63.13089	1.3
65.03937	1.5
65.12867	1.2
67.05508	1.5
69.03432	19.7
70.06593	17.5
71.51598	2.3
72.08152	7.8
72.78481	1.3
76.34413	1.4
78.04720	3.3
79.05495	9.5
81.03413	5.7
84.04483	3.2
84.08149	9.0
85.02908	17.0
86.09700	12.3
88.04001	1.4
89.03892	2.0
91.05470	16.3
91.23823	1.6
92.97630	1.3
93.07040	5.5
95.04949	5.1
95.52016	1.5
97.02895	12.6
97.06439	1.3
98.97560	1.8
99.04479	3.2
103.05475	13.9
104.06244	5.0
105.03403	1.5
105.07036	44.7
106.04169	2.8
107.04940	9.3
109.02910	2.1
109.06533	2.4
110.07175	5.1
111.04461	1.5
115.05481	12.5
116.07111	2.5
117.03396	2.5
118.04173	4.4
119.04951	5.6
120.05763	1.3
120.08118	1.6
121.06504	15.2
121.10131	2.3
122.03654	1.6
123.04436	6.6
124.05222	3.7
127.03950	6.8
129.06979	2.7
129.10237	5.5
130.06520	2.3
130.08609	3.3
131.04932	11.7
131.08632	1.8
132.05699	15.0
133.02866	2.1
133.06506	40.6
133.10173	2.4
135.04416	2.8
137.05980	19.6
143.06027	2.6
145.02875	2.8
145.04956	4.1
145.06580	1.5
146.60889	1.3
147.04442	5.5
148.05203	2.8
149.05986	19.6
151.03897	9.7
151.07549	3.3
152.04654	2.3
153.05466	1.8
154.84303	1.3
156.05675	2.9
159.04431	2.5
159.08067	4.4
160.05220	6.6
161.05992	31.5
161.09593	2.0
163.03864	3.9
163.07574	4.8
167.07048	81.3
172.05191	1.6
173.06067	2.0
175.07562	3.9
176.04587	1.5
177.05469	22.1
178.06233	3.0
179.07047	9.4
180.07796	7.3
181.04994	1.9
181.08630	10.8
187.07535	7.5
191.07034	11.4
192.07840	24.0
193.08609	100.0
199.07423	1.5
207.06436	7.0
208.07344	1.5
209.08089	16.7
209.15338	3.8
215.07001	2.3
217.08664	8.0
220.93680	1.4
234.06764	2.6
235.07622	1.7
247.07452	1.7
247.09717	3.0
248.08484	1.8
249.08965	2.4
251.06790	1.5
261.09131	2.4
263.06830	2.3
277.08600	2.7
278.09332	2.4
279.06638	1.6
281.11813	2.0
285.07819	2.8
289.08765	1.7
300.09906	3.9
301.10623	2.6
306.08862	1.7
307.09766	1.8
309.11194	4.4
313.10873	1.6
321.07452	5.9
321.11252	5.1
323.09058	1.7
326.11560	2.4
339.12344	1.4
341.13885	4.4
353.09958	2.4
353.13715	5.3
371.16080	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	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32076	1.7
53.03926	2.5
55.05515	4.8
56.05049	3.2
57.03448	7.1
57.07075	82.6
63.92695	1.8
69.03435	2.8
70.06592	16.9
70.47411	1.7
71.51542	2.9
71.87122	1.8
72.08163	26.8
73.02911	3.5
83.06136	2.7
84.04523	8.5
84.08160	7.0
84.14426	1.9
85.02904	14.1
85.06549	63.0
86.09694	13.2
88.04000	2.8
91.05482	4.5
95.00845	1.9
95.01332	9.7
97.02900	3.4
98.97561	1.9
100.83100	2.1
103.07610	7.9
110.07188	17.9
113.02370	3.8
117.07020	3.7
119.08646	2.0
120.08160	5.2
129.10291	4.4
130.05045	6.8
130.97643	1.8
132.08150	4.5
135.08061	2.4
136.07614	3.0
137.06030	2.1
141.01839	20.3
147.04437	2.0
148.07581	27.1
149.09631	3.2
150.05493	3.5
152.07045	2.1
155.56642	2.6
159.02908	4.2
159.10167	100.0
160.07497	2.3
161.06117	1.9
161.08337	3.9
162.09225	3.1
163.03964	2.3
165.07961	3.3
171.14973	3.4
176.07034	3.8
177.05440	3.2
177.07927	7.2
177.11227	79.6
178.05862	2.9
178.08661	5.3
180.06602	5.5
195.08879	2.1
197.99689	2.1
207.06711	2.0
208.06882	3.0
208.09720	3.5
209.03374	2.0
261.18079	1.9
267.10834	8.3
310.10916	2.6
317.12225	3.4
326.13831	22.4
337.09412	2.9
347.06329	3.5
352.11780	9.3
365.31992	2.0
370.12820	40.0
388.42944	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04224	0.3
55.05508	0.5
56.05024	1.1
56.96568	0.4
60.04515	0.5
61.01149	0.3
61.02915	0.8
62.06083	0.4
65.03961	0.5
68.49388	0.3
69.03425	1.2
70.06601	4.3
71.06916	0.5
71.44617	0.5
72.08174	1.6
74.06065	0.5
81.03383	0.3
82.08585	0.3
83.06102	0.4
84.04485	1.1
84.08150	2.7
85.02914	2.4
86.09705	2.0
91.05491	3.8
97.02885	1.1
98.25060	0.3
101.35372	0.3
102.05564	0.4
109.02901	0.5
110.07177	2.8
112.08736	0.6
113.07143	0.7
115.08694	0.3
119.04948	14.2
120.08109	0.5
124.03911	0.8
127.03958	0.8
129.10217	1.5
130.05023	0.5
136.07562	0.8
137.05997	0.4
147.04419	100.0
148.04752	1.4
162.05228	0.3
162.63887	0.3
163.03844	0.4
190.08731	0.4
208.09702	29.4
209.09953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93508	0.4
56.05021	0.5
56.96562	0.4
57.03429	0.6
60.04509	0.5
65.03937	0.5
66.06420	0.3
66.61649	0.3
69.03430	1.9
70.06583	2.2
71.04991	0.3
71.51703	0.4
72.08148	1.1
81.03410	0.7
81.07076	0.3
83.06107	0.3
84.04483	0.5
84.08137	1.6
85.02901	2.7
86.09692	1.0
87.04477	0.9
91.05466	3.4
97.02404	0.2
97.02903	2.3
98.97576	1.0
99.04471	0.3
102.05531	0.4
107.04979	0.4
109.02878	0.5
110.07185	2.4
110.97527	0.4
112.08733	0.3
115.03932	0.4
117.80156	0.3
119.04950	10.7
120.08102	1.3
122.07130	0.4
127.03880	1.1
128.98637	0.4
129.10268	1.0
132.95831	0.5
136.07587	0.5
137.05984	2.0
145.04918	0.5
146.06039	0.6
147.04413	100.0
148.04788	1.0
155.04700	0.7
156.07719	0.3
158.97398	0.6
166.05354	1.1
177.05522	0.4
178.04950	0.4
194.97427	3.0
208.09691	13.0
208.98950	0.7
212.06247	3.1
212.98465	2.3
216.97806	0.4
219.01768	0.7
219.13411	0.7
227.00018	1.0
234.99069	0.6
237.02892	0.8
239.97275	0.5
242.99480	0.5
244.00345	0.7
248.98541	0.5
249.99113	0.7
262.99988	0.4
268.00241	0.3
272.98471	1.3
291.08563	0.4
304.00351	1.1
309.09659	1.6
370.03516	7.5
370.15057	5.8
371.04089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47194	0.6
55.05515	0.9
56.05048	1.8
57.03011	0.6
58.99595	8.0
59.05002	1.4
60.04521	1.0
66.41956	0.7
67.05515	0.9
69.03436	100.0
69.07059	0.6
70.06598	2.8
70.31696	2.4
74.00666	0.9
76.02235	99.8
80.42873	0.6
83.04992	3.3
84.04510	6.8
86.09731	2.5
86.99086	0.7
88.04012	0.9
91.05482	1.5
92.18625	0.6
94.06602	0.7
95.08599	1.3
98.20807	0.8
99.02696	2.4
102.00130	1.5
102.03790	2.4
102.05560	1.3
103.87859	0.7
105.00089	0.9
105.07018	1.2
107.04978	1.8
107.08639	0.7
109.10188	1.0
111.04474	0.7
113.00609	1.0
116.71245	0.6
118.03250	47.3
119.01663	1.8
121.06573	1.0
121.10180	0.7
122.02747	6.2
123.04450	1.2
123.08097	2.6
126.32427	0.7
126.47035	0.6
127.02157	4.1
127.94690	0.6
128.80650	0.6
129.07021	1.0
130.05035	5.0
131.04878	0.8
133.10167	0.7
137.06033	1.9
137.09566	1.0
139.11191	26.3
144.04800	31.6
145.03030	0.7
146.02728	24.5
148.04280	1.2
149.06020	0.7
149.09569	0.7
151.07556	10.1
161.06041	0.8
161.13374	0.8
162.05846	8.8
164.03781	3.1
165.09140	2.3
165.12801	0.8
167.07036	6.6
168.04799	5.5
175.07536	1.9
177.05527	1.3
177.87854	0.7
183.04857	2.4
183.10222	2.8
186.05846	4.7
187.07579	1.7
190.05338	7.0
191.03810	0.7
191.07092	1.2
191.16498	0.8
204.06917	23.8
204.08780	1.4
207.13820	70.2
208.14146	0.8
216.51137	0.7
217.08620	0.6
232.06435	5.4
239.11172	3.4
249.09111	0.7
263.06747	0.7
264.14258	1.0
270.08319	0.8
281.11942	0.7
282.15295	7.3
321.11359	0.7
324.16354	7.6
328.15802	4.0
352.15964	4.2
370.16714	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	370.15
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01393	0.3
65.03967	0.4
69.03427	0.7
70.06589	1.2
71.24329	0.5
72.08157	0.6
81.03477	0.3
82.82724	0.3
84.04496	0.5
84.08128	0.7
85.02917	2.2
86.09736	0.7
91.05494	2.7
97.02919	0.5
110.07181	0.5
119.04957	10.5
120.08102	0.3
127.03995	0.3
129.10207	0.4
147.04422	100.0
148.04787	1.1
159.10245	0.3
182.99417	0.3
190.08658	0.5
191.07082	0.6
208.09709	36.8
209.10049	0.4
219.62299	0.3
311.13831	0.3
380.60391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	23.3
55.05513	47.4
57.03438	33.9
57.07078	11.1
61.26826	6.4
61.57848	6.3
65.03953	6.8
67.05511	80.0
67.72112	6.2
69.03433	14.8
69.07066	25.5
69.53388	10.5
69.53791	33.5
69.96455	6.1
71.04984	9.2
75.97729	5.5
79.05496	51.4
81.03407	20.9
81.07066	88.4
83.04990	8.3
83.08633	31.3
91.05480	44.5
93.07044	86.3
95.04989	13.7
95.08607	91.0
97.06536	14.0
97.10159	17.9
105.07035	51.4
107.08605	71.3
109.06525	15.3
109.10148	49.3
111.08090	32.9
117.06992	17.5
119.08588	49.3
121.10136	42.4
123.08073	8.6
123.11697	14.6
125.09618	10.1
129.07069	9.6
131.08569	24.2
133.10152	29.5
135.11684	37.8
137.09599	9.9
137.13216	5.6
143.08488	8.7
145.10147	22.3
147.11693	31.6
149.09644	9.2
149.13258	15.7
151.11168	8.1
157.10124	7.5
159.11644	22.3
161.13289	15.6
163.14767	13.0
165.12750	8.4
171.11746	6.8
172.94350	32.5
173.13199	7.7
175.14777	10.6
179.14285	10.3
185.13147	9.6
187.14853	24.8
190.95407	28.9
205.15984	8.8
208.96480	13.5
213.96942	6.5
214.95499	12.3
227.27023	5.9
232.96408	45.7
241.19540	18.1
250.97519	33.2
259.20572	44.1
262.94049	8.9
264.46613	5.8
277.21622	100.0
280.94974	8.0
322.95990	10.5
351.25302	87.1
369.26355	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	369.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77020	0.4
53.03954	0.5
55.01863	4.5
55.05513	5.0
57.03441	2.8
57.07070	1.1
58.43280	0.5
65.03915	0.6
67.05504	4.9
69.07073	4.9
69.54742	3.2
70.75954	0.5
71.08629	0.6
73.69497	0.5
79.05487	5.4
81.07059	26.2
83.04979	2.0
83.08636	2.2
91.05491	3.7
93.07034	6.0
95.08606	6.5
95.09972	0.5
97.06526	1.5
98.21490	1.0
105.07041	3.5
107.08611	4.4
109.06518	11.5
109.10175	3.3
109.10810	0.5
111.04443	16.1
111.08100	1.1
117.07008	0.7
119.04972	0.7
119.08590	5.2
120.17342	0.5
121.10158	5.5
123.08062	2.4
123.11688	1.8
124.64091	0.5
125.05991	6.4
125.09591	0.5
129.07019	0.5
131.08574	2.2
133.10129	5.7
135.08051	2.5
135.11670	4.4
137.05980	100.0
137.13234	1.6
138.06377	0.5
142.07851	0.5
143.08513	1.4
144.95119	0.4
145.10147	1.9
147.08055	1.6
147.11673	6.1
149.09613	5.2
149.13257	1.2
151.07574	3.0
151.11180	1.3
157.10101	2.2
159.11740	1.1
161.09601	6.0
161.13228	2.4
163.07513	0.5
163.11188	2.8
165.09123	1.7
165.12785	1.0
167.10660	0.7
171.11690	1.3
172.94371	0.9
173.13277	0.6
175.11183	4.8
175.14833	1.1
177.05447	0.8
177.09056	0.7
177.12764	0.6
179.10617	2.2
189.12776	1.1
190.95401	0.7
193.12259	1.0
197.13478	0.7
203.14310	0.5
203.17981	6.7
205.19530	0.9
213.16406	2.7
221.19054	1.8
231.17438	8.8
232.96475	0.7
241.15868	1.7
249.18507	11.0
250.97609	0.6
277.17996	74.5
278.18356	1.2
295.19037	8.3
337.10721	0.6
351.21713	12.2
351.25900	0.8
352.21704	0.6
356.60135	0.5
369.22812	8.4
370.23123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01852	3.7
55.05512	29.8
56.96570	3.3
57.03430	9.0
57.07063	5.2
62.93487	2.2
65.03941	3.6
66.91601	2.2
67.05507	84.5
69.03434	3.8
69.07067	18.4
71.04998	4.9
71.08636	40.3
79.05494	58.2
81.03412	6.3
81.06596	5.3
81.07056	82.0
83.04985	13.4
83.08623	15.2
85.06516	3.8
91.05490	31.1
93.07044	70.9
95.04959	10.7
95.08611	50.4
97.06541	6.2
97.10162	18.2
98.97591	4.0
99.08082	26.1
105.07038	29.1
107.04951	6.5
107.08601	51.1
109.06509	5.5
109.10147	37.3
111.08073	6.6
113.09638	3.4
117.07013	8.5
119.08582	26.3
121.10164	37.4
123.08095	3.1
123.11727	6.3
125.09616	11.9
129.06998	4.1
131.08578	10.6
133.10127	23.2
135.08034	3.5
135.11681	44.1
137.09618	4.1
141.09128	4.3
143.08536	5.6
145.10133	12.6
147.11725	12.9
149.09595	3.0
149.13290	18.6
151.11188	15.8
159.11653	8.6
161.13263	15.7
163.11212	7.0
163.14833	3.3
165.12727	9.6
165.67287	2.5
166.67815	2.2
167.10641	4.3
171.11754	2.8
172.94409	8.3
173.11673	2.5
173.13231	4.8
175.14847	3.5
177.12685	4.7
179.14313	100.0
185.13258	4.8
189.11157	6.2
189.12700	3.4
189.16296	2.5
190.95441	7.7
191.18018	2.9
193.15755	2.4
195.13857	4.1
199.14709	3.5
208.96434	3.2
221.15387	3.9
227.12733	9.3
232.96486	10.0
235.16795	5.2
241.19545	6.3
245.13878	6.3
250.97530	6.9
253.02307	3.7
255.98029	2.7
259.20560	18.0
277.21634	79.2
311.31454	2.6
313.11810	4.1
351.25305	92.6
369.25272	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.3
56.96568	36.8
67.05508	4.1
71.32088	4.5
71.95257	5.3
72.96042	4.2
81.07059	3.2
83.08618	5.9
91.05470	2.9
92.22897	2.7
93.07059	2.8
95.08575	3.6
105.00185	3.1
105.07021	3.8
107.08624	2.8
110.97545	5.8
119.08543	4.9
125.09565	2.3
128.98586	4.4
137.02635	2.7
145.02843	3.5
172.00783	2.2
177.05487	5.6
179.07301	2.7
181.05241	2.6
195.06989	3.7
199.06390	6.2
207.06613	3.7
213.07988	16.7
217.07460	3.8
225.07845	5.5
229.07494	4.3
231.09048	16.5
239.09508	6.7
241.11232	11.3
243.09094	3.0
247.08481	5.1
251.09590	8.5
255.08977	3.5
257.10480	3.7
258.52350	2.7
259.12195	8.3
267.41016	2.6
269.10611	41.5
273.10110	3.1
287.11682	12.3
333.17352	17.6
337.10449	3.5
345.96442	2.2
351.18393	36.7
369.19498	100.0
374.20120	2.3
387.15948	4.7
387.20560	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1337
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03951	1.6
55.01867	1.4
56.96556	1.6
59.00343	0.8
59.24575	0.9
65.03938	2.8
67.05516	1.9
69.03436	2.0
69.07060	1.8
69.74617	2.3
69.75012	1.4
70.06591	5.3
72.08166	1.4
73.02919	0.8
75.17628	0.8
79.05484	3.1
81.03421	2.2
81.07056	1.4
83.04974	1.3
83.63194	0.9
84.04540	1.4
84.08141	2.8
85.02888	2.0
86.09699	2.3
89.03933	2.5
90.43957	0.8
91.05484	9.8
93.07053	2.7
95.04980	2.0
97.02891	2.3
97.06532	1.3
98.97598	6.1
103.05469	1.4
105.03394	1.0
105.07025	2.6
107.04955	2.9
107.08619	1.7
109.02892	1.8
109.10140	0.9
110.03677	1.0
110.07182	1.7
111.04469	1.6
115.05452	1.3
116.06230	1.0
116.98644	2.8
117.03379	11.3
117.07019	2.5
119.04974	7.8
119.08567	2.5
120.08179	1.0
121.06544	2.1
123.04426	1.8
125.05995	2.2
128.06216	2.6
129.07022	1.5
131.04965	2.6
131.08557	1.8
132.05676	1.0
133.02866	3.5
133.06470	1.2
133.10132	1.5
134.99617	1.2
135.04428	2.0
137.05991	5.0
143.08580	1.1
144.05695	1.2
145.02850	14.9
145.06473	1.6
147.04425	6.7
147.08035	1.8
149.02356	1.7
149.05972	3.9
149.09578	1.2
151.03925	2.1
153.05492	3.5
155.04851	0.9
158.99706	2.1
159.08046	2.5
159.11703	1.0
161.05984	2.7
163.03946	1.8
165.05585	1.3
165.07002	2.8
167.07089	1.7
169.06447	1.0
175.03914	11.5
175.06139	1.4
175.07388	4.0
177.00615	1.5
177.02020	1.2
177.05481	31.1
177.06622	1.3
177.09087	1.8
178.07802	2.7
179.07225	0.9
179.08601	2.1
181.04994	2.8
181.06538	2.5
184.05225	1.9
185.05952	1.3
187.07616	1.8
189.07028	2.8
190.07797	2.9
191.07098	1.2
191.08563	4.2
192.05734	1.0
193.06369	1.0
194.07333	3.3
195.08081	2.1
199.07558	18.8
202.07738	4.7
203.08647	4.2
205.06442	5.4
206.07318	3.3
207.06493	17.7
207.08160	3.0
207.13802	0.8
208.05292	2.1
208.08855	1.8
209.05934	0.9
209.09665	1.7
211.07692	1.0
215.08737	1.1
218.07310	3.3
219.08089	8.8
220.08806	4.8
221.05945	3.7
221.09689	2.8
222.06868	4.4
223.07597	3.2
223.11050	0.8
224.08405	1.5
231.08090	6.0
232.08847	2.2
233.06068	2.6
233.09645	1.5
234.06860	3.8
235.07562	7.6
235.11235	0.8
236.04716	1.2
236.08240	4.9
237.09137	5.9
238.06255	2.4
245.09767	1.0
246.06805	2.8
247.07533	8.9
248.08360	7.9
249.05353	1.5
249.09160	5.9
250.06198	4.4
250.09953	1.1
251.07040	5.5
251.10706	3.3
252.07848	2.7
253.08647	1.7
259.07675	1.1
260.08353	1.5
261.05429	1.7
261.09109	3.5
262.06302	2.3
262.09824	1.8
263.07089	6.4
263.10513	2.0
264.07834	5.2
265.05359	1.7
265.08618	14.6
266.05975	1.0
266.09378	2.4
267.06436	1.1
269.08075	1.3
275.06992	3.1
276.07751	4.8
277.08511	4.9
278.05920	1.2
278.09415	3.4
279.06558	3.4
279.10184	5.1
280.07355	2.1
280.10587	1.6
281.08340	1.9
281.11749	2.5
283.09457	1.1
290.09299	2.1
291.06720	2.2
291.10101	13.9
292.07547	2.0
293.04800	1.4
293.08136	6.5
294.08832	5.2
295.09680	3.2
304.07462	1.4
305.08157	3.3
306.08786	1.2
307.09628	8.5
308.06769	4.6
308.10419	3.5
309.07715	1.7
309.11145	13.6
310.11862	1.2
311.09396	1.3
311.12811	4.9
313.10806	1.1
315.08667	4.4
319.09671	6.3
322.08401	2.3
323.09122	3.4
324.09912	2.7
325.10645	1.9
336.10025	1.4
337.10699	100.0
338.11298	6.6
339.12381	10.3
341.13553	1.8
351.08572	2.6
351.12494	4.9
354.10580	1.0
369.13364	41.8
370.13928	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03889	0.5
55.01817	2.0
55.02060	0.7
55.05484	0.7
56.04988	0.7
56.96523	1.4
57.03381	0.8
59.32590	0.6
65.03884	1.5
67.05447	1.9
69.03371	2.3
69.07036	0.8
69.28732	5.3
70.06524	3.3
72.08105	1.9
74.13354	0.7
79.05425	2.4
81.03339	1.0
81.06979	1.9
83.04941	1.1
84.08073	2.2
85.02863	1.3
86.09626	2.2
86.30809	0.7
89.03878	1.3
91.05486	5.9
93.03333	0.8
93.07000	1.7
95.04910	1.8
95.08557	0.8
97.02839	1.8
97.06483	0.8
98.97588	6.3
103.05431	1.4
105.03334	0.8
105.06941	2.1
107.04891	2.4
107.08517	1.5
107.89841	0.6
110.03590	0.9
110.07120	0.7
111.04452	1.4
115.05397	1.5
116.98569	1.9
117.03384	5.0
117.06893	1.8
119.04950	4.0
119.08508	1.3
120.08076	1.6
121.06459	1.2
121.10087	1.3
122.03602	0.7
123.04328	1.6
125.05894	1.8
128.06168	1.4
129.06966	1.1
129.10149	0.8
131.04842	2.6
131.08511	1.3
133.02777	1.8
133.06433	1.5
134.03624	1.0
134.99698	0.8
135.07944	0.9
135.11589	1.1
137.05974	3.7
143.08467	0.7
144.05629	0.9
145.02843	11.1
145.06377	1.9
145.10098	0.9
147.04378	5.2
147.08032	0.8
149.05916	2.0
149.09605	1.2
151.03900	0.9
153.05399	2.2
158.99646	0.8
159.07994	1.4
161.05969	1.8
163.03844	1.2
165.05499	0.8
165.06929	2.8
166.07686	0.9
167.06992	1.5
167.08411	0.9
169.06444	1.3
175.03934	8.0
175.07480	4.5
176.06079	0.9
177.00632	1.2
177.05487	21.8
177.06972	0.8
177.09032	1.5
177.12689	1.4
178.07726	2.7
179.07022	1.1
179.08499	2.2
181.04912	2.2
181.06471	1.7
183.06461	1.8
184.05182	1.8
185.05956	1.7
187.07513	1.6
189.06934	2.1
190.07690	2.3
191.08531	3.7
192.09328	0.9
194.07268	4.1
195.07996	2.0
199.07545	12.5
202.07822	4.2
203.08522	3.2
204.09279	1.1
205.06561	3.2
206.07207	2.7
207.06458	13.4
207.08105	3.4
208.05159	2.1
208.06915	0.8
208.08777	1.7
209.09647	1.9
211.07457	0.9
215.08702	0.9
218.07338	3.1
219.08025	9.3
220.05144	0.9
220.08795	4.5
221.05949	2.1
221.09590	2.5
222.06790	4.2
223.07500	3.0
224.08263	1.3
225.09056	0.8
230.07297	1.4
231.08061	5.1
232.08745	1.5
233.05933	3.6
233.09668	1.2
234.06671	2.9
235.07532	9.2
236.04773	1.1
236.08299	2.9
237.09129	3.8
238.06238	1.1
239.07042	1.1
246.06734	1.3
247.07571	7.6
248.06598	0.6
248.08426	6.7
249.05406	2.0
249.09111	6.3
250.06256	4.3
251.07030	4.5
251.10721	3.2
252.07782	3.2
253.08565	1.4
258.06821	1.9
259.07410	1.0
260.08374	1.6
261.05344	1.1
261.09158	2.7
262.06235	1.9
262.09821	1.9
263.07141	4.8
263.10431	3.3
264.07819	5.0
265.05450	1.2
265.08588	13.6
266.05777	1.4
266.09396	3.0
267.06473	1.0
267.10101	1.1
269.07901	1.2
275.07089	3.6
276.07697	3.9
277.08548	5.9
278.05872	1.0
278.09299	2.7
279.06726	4.7
279.09647	4.4
280.07288	1.7
280.10825	1.3
281.08105	1.8
281.11542	1.5
282.08588	0.8
283.09665	1.0
288.08270	1.1
289.05020	0.9
290.09406	1.6
291.06702	1.7
291.10098	13.9
292.07324	1.8
293.08038	8.5
294.08765	5.8
295.09756	3.3
300.09879	0.8
304.07355	1.0
305.08011	2.9
307.09613	8.8
308.06781	2.8
308.10394	2.5
309.07782	1.2
309.11176	12.7
311.09396	1.1
311.12543	4.7
313.10931	0.8
315.08640	5.4
319.06107	1.1
319.09683	8.2
320.10321	0.9
322.08292	3.0
323.09106	2.9
323.12628	1.3
324.09845	1.8
325.10834	1.3
326.11392	0.8
336.09943	1.6
337.10706	100.0
338.11365	6.5
339.08499	1.4
339.12262	10.3
341.13742	1.2
351.08597	2.0
351.12411	3.7
369.13348	50.1
370.13687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
51.92493	2.7
53.03956	2.9
55.73808	2.5
62.83473	3.1
65.03944	20.4
65.04230	3.4
67.05495	6.0
69.07062	3.7
69.36649	2.4
70.30995	6.7
71.95469	2.8
76.17924	3.2
79.05460	3.0
81.07019	5.7
82.04211	4.3
85.02886	3.1
89.03905	4.7
91.05479	8.0
93.03397	13.0
95.04954	10.0
95.08605	4.1
105.07040	3.9
107.04927	4.0
110.03656	18.1
111.04448	16.8
115.05430	3.7
117.03368	13.7
117.07043	3.5
119.04925	5.8
119.08533	3.8
120.00775	3.1
123.04381	6.8
125.06023	18.5
128.06221	4.4
135.04390	3.4
137.05978	7.9
145.02864	30.7
145.06406	3.3
147.04404	4.5
147.08025	4.0
149.05936	7.2
153.05476	55.8
157.06479	3.1
159.08022	5.9
160.05266	4.6
160.56830	3.7
161.05997	5.7
165.07011	4.2
169.06441	7.0
174.01196	3.4
175.03952	6.5
175.07504	17.3
177.04071	4.9
177.05487	61.6
183.06509	9.6
184.05193	16.8
185.05980	9.6
186.06766	3.4
191.08551	4.7
199.07542	100.0
200.08061	4.0
203.08603	4.7
205.06567	5.0
206.07364	5.9
207.06439	19.2
207.08096	2.8
216.07816	24.3
218.07236	7.1
219.08110	16.3
220.08839	8.1
221.05998	6.4
221.09575	4.1
229.08621	18.1
231.08109	4.2
233.05948	5.7
234.06807	5.8
235.07527	17.2
236.08325	9.2
246.06790	3.0
247.07535	13.5
248.08424	4.8
249.05525	4.5
249.09135	6.0
250.06174	3.8
250.09956	3.2
251.10703	26.1
261.05496	3.1
262.06168	4.0
263.07031	10.6
264.07846	20.5
265.08539	9.8
269.08273	4.1
276.07913	6.3
277.08606	12.2
278.09418	7.8
279.10220	17.7
281.08051	7.4
292.07339	5.8
293.08160	9.3
294.08908	4.9
295.09650	6.8
305.08237	6.4
306.08768	3.8
307.09628	57.4
308.10403	11.5
309.07764	2.9
309.11200	10.7
311.12732	24.4
315.08499	3.8
324.09979	5.9
325.10474	3.6
337.10773	20.0
339.12280	61.6
351.12216	8.8
369.13455	32.7
369.22336	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	369.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19618	0.5
55.01851	0.7
56.96568	1.0
65.03932	3.4
67.05498	0.8
69.03409	1.7
69.83266	3.0
70.06588	3.8
71.05003	0.6
72.08140	1.2
79.05476	1.1
81.03406	1.4
81.07021	0.9
82.04178	0.7
84.04481	0.6
84.08150	2.7
85.02892	2.0
85.06516	0.6
86.09699	1.5
88.69413	0.5
89.03943	1.0
91.05486	14.7
93.03399	2.0
93.07038	1.2
95.04964	1.9
95.08569	0.7
97.02880	2.0
98.97594	1.0
103.05437	1.3
105.03384	0.8
107.04928	0.9
109.02904	0.9
110.03660	2.4
110.07183	0.7
111.04424	2.0
115.05469	1.2
117.03372	1.9
119.04943	26.4
119.08605	0.7
120.08092	1.0
121.06511	0.5
123.04437	2.3
123.11684	0.6
125.06004	2.7
127.03959	0.8
128.06229	2.0
129.07007	0.7
129.10208	1.9
131.04890	0.7
132.02109	0.8
132.05730	0.8
134.03548	0.9
135.04416	0.9
137.05908	1.4
138.03146	0.7
140.04683	1.1
141.06995	1.1
143.08575	0.8
145.02850	3.9
145.06432	0.6
147.04414	21.8
147.08034	1.1
149.02287	0.9
149.05960	1.2
153.05467	8.6
156.05676	0.9
157.03975	2.6
159.08017	1.1
161.06142	0.6
163.03883	0.6
164.04619	0.8
167.07037	1.0
169.06505	2.1
171.07883	0.5
175.03914	43.9
175.07430	5.7
177.05490	5.3
177.12682	0.6
179.07094	2.5
183.06573	2.6
184.05164	3.0
185.05930	1.5
186.06732	0.7
187.07605	0.9
190.07791	0.7
191.08533	1.2
199.07553	30.2
200.08093	1.0
202.07855	1.0
205.06534	0.7
206.07298	0.7
207.06528	100.0
208.06935	1.3
208.08856	1.2
215.06932	0.8
216.07835	3.0
218.07193	1.9
219.08084	2.7
220.08812	1.6
221.05939	0.7
229.08659	1.7
234.06795	1.3
235.07565	2.3
236.08276	1.6
237.08981	0.8
246.06880	0.8
247.07634	2.6
248.08554	1.1
249.05496	1.1
249.09137	1.0
251.10774	4.2
253.08781	0.7
259.07724	0.6
262.06219	0.9
263.07025	1.8
264.07855	4.2
265.08667	2.1
273.07758	0.7
276.07816	1.2
277.08551	2.0
278.09348	1.9
279.07117	0.7
279.10144	2.4
281.08145	1.6
281.11401	0.6
292.07285	0.6
293.08063	1.7
294.08704	0.8
295.09509	1.1
305.08136	0.6
307.09607	10.6
308.10385	1.9
309.11212	2.2
311.12778	6.4
324.09937	1.5
337.10706	3.0
339.12265	13.8
339.48969	0.6
341.14120	1.5
351.12225	1.3
369.13293	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	369.1182
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
50.73483	0.3
63.80050	0.4
65.03932	0.8
66.64938	0.3
69.03408	0.6
70.06574	1.5
71.52190	0.3
72.08167	0.5
76.03136	0.4
77.03937	0.6
84.08139	1.1
85.02866	0.4
86.09703	1.0
89.03913	3.2
91.05486	14.6
97.02881	1.9
98.05015	0.4
103.05447	0.5
105.03402	0.4
105.07027	0.4
107.04931	0.4
110.83916	0.4
117.03394	8.4
118.04132	0.4
119.04944	23.2
120.08112	0.5
125.02415	0.4
129.10225	0.5
131.04958	0.5
132.02031	1.0
133.02911	0.4
133.06468	0.4
134.03619	0.9
135.04399	0.5
137.05965	0.9
141.43091	0.4
145.02852	17.9
147.04414	21.2
149.02359	0.6
149.06017	2.7
157.03978	2.5
161.05978	0.4
162.03183	0.5
164.04628	0.9
175.03917	40.2
177.05473	34.6
179.07053	2.0
186.05443	0.5
189.12744	0.4
191.30394	0.4
192.04118	0.6
199.07613	0.3
206.12611	0.8
207.06534	100.0
208.05171	0.5
208.06898	0.9
225.07750	0.5
248.08237	0.5
269.08047	0.7
277.08621	0.8
315.08670	1.3
323.09314	0.5
336.09903	0.4
337.10629	0.7
338.11090	0.5
351.12445	0.8
352.17386	1.1
369.13147	2.5
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	Unknow
Peak:m/z	Relative Intensity
52.00951	0.3
55.01890	0.4
56.89167	0.4
60.07345	0.3
63.02379	0.6
64.39045	0.3
69.03445	0.7
70.06615	0.4
70.75880	0.9
71.05000	0.3
74.91126	0.3
79.05457	0.3
81.03408	0.5
81.07062	0.6
83.04977	0.3
89.03919	8.2
91.05494	1.1
95.04989	0.4
95.08646	0.4
97.02902	0.8
103.05471	0.6
104.88537	0.3
111.04433	0.4
117.03388	24.3
119.04968	0.5
119.08521	0.4
121.06524	0.4
121.10187	0.3
125.02364	0.5
134.03665	1.6
135.04439	0.9
137.06027	0.6
145.02856	56.1
147.04402	0.5
149.05992	8.1
158.06108	0.4
163.03851	0.6
175.03932	0.7
175.06064	0.4
177.05479	100.0
178.05846	1.3
183.22527	0.3
186.05528	1.0
199.07584	0.6
207.06555	1.4
234.06680	0.3
247.07390	0.4
277.08652	0.3
293.08069	0.5
303.63644	0.3
337.10471	0.9
339.12424	0.4
351.12186	0.5
369.13089	1.4
377.94608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
55.93514	1.5
56.05032	0.4
56.96566	100.0
58.06599	0.4
58.96015	0.3
60.04515	0.3
60.05637	0.3
67.98171	0.6
69.03429	0.7
69.07053	0.3
69.82566	1.6
70.06602	4.7
71.93003	0.5
71.95263	1.5
72.08150	2.7
72.96045	6.2
74.06084	0.5
74.97616	1.0
78.99903	0.3
80.05009	0.4
81.03429	0.4
81.93919	0.3
83.06068	0.3
83.73445	0.3
83.97624	4.0
84.04510	1.1
84.08144	2.9
84.96041	0.6
85.02895	1.4
85.99184	0.4
86.09708	1.1
91.05491	0.6
97.02927	0.6
97.99169	0.5
98.06059	0.9
98.97601	0.8
101.98686	0.4
102.05518	0.3
103.05498	0.5
109.77518	0.3
110.07175	3.6
110.97585	0.3
112.08749	0.5
115.08714	0.7
116.07053	0.4
116.55809	0.3
117.03325	0.3
118.08662	1.4
119.04961	0.3
120.08104	4.3
121.08444	0.8
121.12331	0.3
122.07157	0.5
122.75030	0.3
127.03914	1.6
128.98634	0.4
129.10236	1.1
135.04385	0.4
136.06161	0.6
136.07614	0.8
137.06001	0.9
137.07932	0.4
144.96848	0.8
145.02852	0.6
146.06071	0.4
147.04410	1.1
149.02760	0.7
149.99901	0.4
152.05656	0.4
156.07713	0.9
160.99150	0.3
162.01393	0.5
162.97919	0.4
163.00673	1.3
163.03931	1.1
164.07066	0.4
165.02219	2.3
165.97137	1.0
166.08636	1.1
167.00081	0.3
167.03836	1.6
168.00983	1.0
169.01726	0.7
176.03844	15.8
177.02271	0.9
177.05481	1.1
178.05392	10.2
179.00211	1.1
181.01758	2.3
183.03308	8.2
183.08507	0.4
183.98213	0.9
185.01241	0.5
186.02333	0.9
187.96429	0.6
190.01791	1.5
192.03316	3.2
192.06554	1.2
194.04909	7.1
195.03139	0.3
195.08870	0.3
195.11124	0.3
196.06468	7.3
197.01225	2.6
199.02783	0.5
201.04352	6.7
201.06119	0.6
204.03316	9.0
204.05190	0.6
206.04823	0.5
207.04735	0.4
207.07120	0.3
207.08929	1.7
207.10800	0.3
208.02837	9.1
210.04352	2.2
213.12366	0.5
215.02252	0.6
222.04381	66.3
223.01566	1.1
223.04279	6.7
226.03888	4.8
237.02737	0.7
240.05438	53.8
241.05904	0.6
245.05942	2.2
252.10576	0.3
263.07022	1.3
310.04446	0.4
324.09027	1.3
351.10184	6.3
351.14719	0.7
352.08774	0.4
368.70258	0.6
369.11237	83.4
370.11456	1.2
387.12207	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	368.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.2
57.07074	2.0
59.18586	0.4
60.08170	1.8
66.28051	0.4
67.05498	3.0
69.03443	3.6
69.07076	5.2
69.93102	1.5
71.08630	0.8
72.95111	0.5
73.34583	0.5
81.06652	0.5
81.07047	2.8
83.08640	2.8
85.10197	0.5
86.06078	100.0
87.04481	12.5
87.04951	0.4
87.06391	0.5
91.05508	0.6
93.07059	1.8
95.08598	2.8
97.10184	1.5
104.07116	18.8
107.08611	1.3
109.10172	1.3
121.10162	1.1
135.11728	0.6
154.30212	0.5
225.67645	0.5
244.76743	0.5
247.26953	0.5
261.54678	0.5
265.25342	1.0
309.27960	1.4
368.31522	5.1
368.35413	1.5
368.42514	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	368.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.01870	0.5
55.05517	20.0
57.03445	0.6
57.06839	0.5
57.07081	5.4
60.08163	1.9
67.05179	0.7
67.05509	8.6
69.07072	25.8
71.05003	0.8
71.08617	1.4
71.46516	0.8
73.02918	3.0
77.79726	0.4
79.05511	2.5
81.07062	9.8
83.08625	15.3
85.06505	0.7
85.10174	0.7
86.09706	0.8
91.05470	1.1
93.07034	3.7
95.08002	0.5
95.08615	8.6
97.06514	1.1
97.10188	6.1
99.04469	3.5
105.07021	0.9
107.08614	2.4
109.10172	4.3
111.08064	1.0
111.11715	1.6
119.08544	1.0
121.10165	3.4
123.08110	0.7
123.11713	1.7
133.10147	1.0
135.11684	1.4
147.11673	1.3
149.13235	0.5
163.14842	0.6
169.90498	0.5
242.45273	0.5
309.27887	100.0
310.28244	1.7
368.35242	85.0
369.35611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
55.05516	5.7
57.07082	2.2
60.04527	60.2
65.03954	0.5
67.05506	17.1
69.07069	7.6
69.39097	3.7
70.02962	1.0
70.06602	1.2
71.08625	1.1
74.97634	0.4
79.05499	4.3
81.06589	1.0
81.07058	15.5
81.07533	0.8
82.29723	0.4
82.65374	0.4
83.08621	4.7
85.10181	0.5
88.03996	18.8
91.05476	2.2
93.07047	5.4
95.08610	12.4
97.06524	1.3
97.10167	2.6
99.04440	2.2
101.01699	0.4
105.07018	1.7
106.05032	100.0
107.08589	3.1
109.10149	5.7
111.11674	0.6
119.08568	1.8
121.10134	2.9
123.11721	2.7
131.55629	0.5
133.10149	1.5
135.11720	1.3
137.09584	0.5
147.11758	2.2
149.13242	1.0
161.13210	1.5
163.14763	1.6
175.14751	0.9
190.95151	0.4
200.07898	0.5
234.82777	0.5
245.22646	2.8
263.23648	2.9
309.27872	12.7
312.32632	0.6
322.27231	0.7
350.27213	2.6
367.68860	0.7
368.28116	3.4
368.35150	11.5
368.39075	1.0
368.42514	1.5
375.68051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	35.8
55.74674	5.9
57.03423	7.1
57.07076	20.1
67.05511	62.6
69.03439	6.8
69.07076	41.7
69.49330	44.5
71.05015	6.7
71.08646	7.7
79.05495	45.5
81.07061	69.3
83.04959	7.6
83.08592	7.5
85.06522	7.6
89.35435	6.1
91.05484	49.7
93.07046	93.4
95.04954	35.6
95.08608	84.7
96.08963	10.9
97.06551	9.4
105.07025	99.3
107.08596	69.9
109.06502	13.3
109.10162	58.8
111.08109	8.5
115.05490	6.4
116.70882	6.7
117.07014	19.7
119.08586	100.0
121.06496	14.9
121.10155	46.6
123.08126	13.1
123.11726	23.5
128.06239	12.7
129.07019	15.6
130.07761	12.8
131.08578	51.4
133.10162	62.6
135.08055	22.3
135.11690	23.8
137.09575	8.0
142.07796	19.0
143.08583	37.6
144.09335	12.4
145.10146	76.9
147.08020	13.2
147.11681	22.6
149.09645	23.1
149.13260	7.9
155.08510	8.8
156.09386	12.8
157.10095	57.7
158.10924	8.9
159.11690	47.8
161.09631	45.9
163.11195	10.6
167.08524	9.2
169.10141	23.5
170.10902	8.1
171.11688	26.8
173.09673	15.7
173.13298	29.9
173.19273	5.9
175.11143	10.6
175.14825	24.2
179.08612	8.1
179.14326	6.2
181.10272	6.2
183.11710	17.0
185.09628	6.8
185.13298	15.5
187.14856	18.0
195.11694	10.2
197.13281	23.3
199.14844	19.9
201.02434	6.7
209.13293	25.7
210.14363	7.6
213.12798	8.7
213.16428	9.5
227.14348	24.8
239.17993	11.5
308.26627	25.1
328.93643	6.2
331.26563	7.0
349.27524	12.2
367.26459	9.4
367.30191	14.2
367.34384	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05517	10.5
57.07076	12.4
67.05512	14.9
69.07076	17.9
69.65414	5.6
69.65827	2.8
71.04989	3.8
71.08639	2.4
75.18676	1.1
79.05489	9.1
81.06599	1.6
81.07066	30.6
83.04969	1.8
83.08620	5.5
85.06538	1.7
91.05486	12.5
93.07051	26.9
95.04987	3.2
95.08613	30.2
95.37936	1.2
97.06538	2.1
97.10192	2.5
99.08045	1.7
105.07039	31.4
107.08610	27.2
109.06532	2.9
109.10165	17.6
111.08089	2.1
113.09673	1.6
117.07034	4.2
119.08599	30.7
121.06503	1.5
121.09320	0.9
121.10149	25.5
123.08081	1.5
123.11726	6.6
127.11217	1.9
128.06218	1.5
129.07001	2.8
131.08566	13.9
133.10141	22.0
135.11725	13.5
137.13225	1.5
142.07803	2.2
143.08565	9.0
144.09354	2.0
145.10130	23.3
147.11703	17.7
149.13268	6.9
151.11174	1.4
155.08568	3.5
156.09375	2.5
157.10118	10.3
159.11708	20.2
161.13271	14.9
163.11168	2.5
163.14844	3.3
165.12759	3.8
169.10100	3.3
170.10841	2.0
171.11682	10.3
173.13303	15.1
175.14842	6.5
181.10139	1.4
183.11694	3.8
185.13274	18.5
187.14818	12.8
189.16403	5.5
195.11671	1.8
197.13289	3.6
199.14825	10.4
201.16435	12.4
203.17961	4.8
205.15797	2.0
209.13329	2.6
211.14832	3.6
213.16393	11.5
215.17966	9.3
219.17557	2.3
223.14871	1.7
225.16484	3.8
227.17953	7.7
228.18742	7.6
229.19380	6.8
237.16374	2.8
239.17973	3.0
241.19582	4.7
243.21060	1.6
251.17990	1.7
253.19577	3.7
255.21281	2.4
257.19009	1.3
257.22720	4.8
265.19611	2.2
267.21082	3.3
267.96262	1.2
269.22739	1.8
279.20975	2.3
281.22766	5.4
289.25031	1.8
293.22681	3.2
295.24255	3.5
295.42368	1.4
311.23578	2.4
317.24805	6.5
323.27432	3.6
335.25851	2.0
349.28741	7.2
367.24094	10.1
367.29980	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72763	0.6
55.01865	0.8
55.05515	1.2
56.96572	0.6
63.91914	0.6
67.05495	2.3
67.28501	0.5
69.07031	1.0
69.42802	5.1
70.06603	0.8
71.08619	0.7
72.18122	0.7
79.05477	1.2
81.07048	2.4
91.05497	1.4
93.07041	1.9
98.20768	0.8
98.97566	0.7
105.07043	1.2
107.08604	1.1
114.14734	0.7
119.08616	1.2
121.10207	0.9
125.09593	1.0
125.75372	0.6
131.08565	1.1
132.22603	0.6
145.10139	0.9
147.11710	0.9
195.09924	1.1
203.80028	0.7
213.09489	0.8
219.86723	0.6
231.10895	1.3
261.03363	0.6
275.20102	1.3
293.21146	1.7
357.29919	0.6
367.01340	1.5
367.24570	100.0
368.24921	1.8
385.02139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
53.03924	1.1
55.01867	4.2
55.05511	18.8
57.03428	6.6
57.07061	1.6
59.04999	2.0
67.05499	16.5
69.03436	2.3
69.07073	18.8
70.84127	2.3
71.08635	27.2
79.05502	12.2
81.03401	4.2
81.07062	15.9
83.04990	3.9
83.08624	7.3
91.05499	6.6
93.07046	10.7
94.32519	1.1
95.04962	5.0
95.08617	8.3
97.06513	2.4
97.10162	9.7
99.07492	1.7
99.08095	20.3
105.07025	5.0
107.04958	2.5
107.08583	7.9
109.06564	1.6
109.10149	5.3
111.08072	2.3
111.26920	1.0
117.07080	1.7
117.18885	1.4
119.08598	2.8
121.06526	2.2
121.10148	5.2
123.08089	1.3
125.09630	7.1
131.08510	2.3
133.10072	2.8
135.08041	2.4
135.11725	2.7
144.61565	1.3
145.10141	1.9
147.11699	1.7
149.09663	1.7
151.11198	1.9
159.11679	2.3
163.11179	1.5
165.12683	1.3
167.10709	1.8
173.13286	1.2
177.12790	3.2
189.11235	4.4
194.67842	1.2
247.20561	2.0
248.13875	1.2
275.20096	8.7
291.58344	1.1
293.21112	100.0
294.21295	1.5
331.22665	1.5
367.24789	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2461
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
53.03939	1.1
55.01873	1.2
55.05503	2.7
57.03431	1.1
60.55633	0.6
67.05511	3.9
67.05820	0.9
69.07067	2.0
70.06595	0.9
71.08617	0.7
79.05486	2.4
81.07052	4.3
83.04960	2.1
83.08614	1.2
89.50924	0.6
91.04990	0.7
91.05461	3.7
93.07043	3.5
95.04965	2.0
95.08592	2.2
98.93758	0.7
105.07024	2.9
107.04985	1.5
107.08575	3.1
109.10144	1.6
111.04463	1.6
111.08062	1.1
117.07109	0.9
119.08609	1.3
121.10156	2.3
131.08546	1.8
133.10129	1.5
135.11691	1.1
145.10101	0.8
146.24533	0.7
147.11679	0.8
148.14732	0.8
149.09639	1.3
157.10234	0.7
159.11752	0.9
163.11127	1.2
171.11589	0.9
173.13216	1.8
229.57239	0.7
275.20102	3.8
293.21198	3.8
349.23526	1.9
367.07913	10.1
367.24570	100.0
368.24896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.5
56.36221	0.3
60.39957	0.4
65.03928	1.5
67.05485	0.4
68.90678	0.3
69.80735	0.3
70.66313	0.4
70.66655	0.9
77.03912	0.6
79.05475	0.5
89.03886	0.5
91.05486	20.3
93.07051	0.8
95.04988	0.4
95.08572	0.6
103.05477	0.8
105.03379	0.8
105.07018	0.8
107.04963	0.5
111.97496	0.4
117.07005	1.0
119.04944	31.5
121.06551	0.4
121.10184	0.4
130.72635	0.4
131.08514	0.4
132.02026	1.5
135.04385	0.4
136.05164	0.4
143.07257	0.4
144.08090	8.2
145.02888	1.3
145.10161	0.5
147.04411	28.9
149.02304	0.5
155.04372	0.5
157.03999	4.3
164.04726	1.0
169.81726	0.4
171.11664	0.4
175.03912	48.3
177.05522	0.6
179.07056	2.3
207.06532	100.0
208.06795	0.6
261.09204	0.6
264.07703	0.6
307.09674	0.4
313.04440	0.5
335.09024	3.0
343.17297	0.4
347.10989	0.4
367.07831	0.5
367.11774	1.8
367.16739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1883
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
55.05504	0.9
56.96568	21.1
57.03407	0.7
59.46444	0.6
68.96985	0.7
69.07066	1.6
70.06593	0.7
70.63226	1.2
71.95262	2.9
72.96037	1.9
74.97651	0.7
79.05490	3.7
81.07068	7.5
83.08660	0.7
84.96045	1.5
91.05495	0.9
97.96814	1.7
98.97607	1.6
103.05461	1.1
105.03370	0.9
109.06568	0.7
110.56946	0.6
110.97532	4.1
115.00689	0.7
119.01745	0.8
123.01188	0.9
127.00658	0.8
128.98601	3.4
131.04906	3.2
137.02737	2.0
141.02286	1.2
143.00221	0.8
145.03893	0.7
146.99672	0.7
155.03755	1.4
161.01196	0.9
167.03818	0.9
171.03293	1.8
173.04768	0.8
178.03229	1.2
183.03256	0.9
185.04861	2.1
187.06413	1.4
189.04260	0.9
195.06938	2.3
199.06383	3.5
203.05940	1.5
205.07486	1.6
207.06909	1.2
208.04205	2.2
211.06439	1.2
211.10027	0.8
213.07977	11.1
217.07458	3.1
221.08669	0.7
223.02826	1.1
223.08182	0.8
225.07858	3.7
229.07562	4.5
231.09036	9.9
237.08020	1.5
239.09676	3.6
241.11140	4.4
243.09000	3.8
247.08556	3.1
251.09473	6.3
253.11162	1.6
255.09055	7.7
257.10675	1.5
259.12198	5.4
269.10602	27.6
273.10135	3.3
279.09012	2.3
280.09802	1.7
285.10080	0.9
287.11642	10.4
292.12186	2.5
297.10147	2.3
298.10818	1.8
307.16064	1.2
313.14700	1.3
315.11111	1.1
321.12677	1.5
331.15750	10.0
349.16882	13.4
367.17905	100.0
368.18253	1.1
372.18414	1.2
385.18991	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	367.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.7
55.05512	1.8
57.03424	4.7
58.00686	1.1
61.02922	2.0
68.99801	6.2
69.03143	1.1
69.03435	14.1
70.06590	5.6
70.26764	1.2
70.75178	3.5
72.08153	5.3
77.03930	1.2
79.05481	1.4
80.86665	1.4
81.03421	10.5
83.08617	2.1
84.04512	2.1
84.08128	2.9
85.02911	57.0
86.09712	5.1
87.00832	11.7
87.04453	2.9
91.05485	18.3
93.07040	1.7
95.01316	4.5
95.04962	1.2
97.02892	2.8
101.09650	2.3
103.03939	1.5
103.05497	6.8
105.01826	2.1
105.07026	5.6
107.04938	2.7
109.02894	1.6
110.07162	2.5
111.00809	2.0
111.04490	1.5
111.43568	1.3
113.02392	2.2
115.05470	5.6
117.07000	4.4
119.04947	18.5
119.08599	1.8
120.08088	6.0
121.02840	1.8
121.06503	4.1
121.08469	4.1
123.04429	14.9
127.03918	3.8
128.06232	8.2
129.01855	1.3
129.07016	12.2
129.10216	2.1
131.04933	10.1
131.08488	1.6
133.06464	4.1
135.04373	1.8
136.06186	1.2
137.05992	29.9
141.06995	2.4
143.04939	2.5
143.08531	6.2
145.04977	3.2
145.06491	9.3
147.03246	2.4
147.04427	38.9
147.08069	2.0
148.05205	1.5
149.05997	23.1
151.07593	2.3
152.06165	2.5
153.01845	1.6
153.06972	6.8
155.04915	1.7
155.08656	1.2
157.06494	14.1
159.04427	1.6
160.05205	3.5
161.06000	18.3
163.03893	6.8
163.07545	5.4
165.05490	100.0
167.07047	3.7
169.06442	1.9
171.02928	10.6
171.08064	11.6
173.04567	2.1
173.05977	10.4
174.06746	3.8
175.07545	26.1
177.05467	6.9
179.07039	5.3
181.05014	2.7
181.06516	9.3
184.05170	1.7
185.05934	6.0
187.07576	3.2
189.03937	12.6
189.05511	9.4
189.09050	5.9
191.07066	11.9
193.04991	3.3
193.08580	4.1
194.05724	1.6
195.06560	4.9
199.07573	16.6
201.05458	3.6
203.07051	21.7
205.08574	2.1
207.06555	5.8
209.06079	1.9
212.04619	1.4
215.07053	2.2
217.08594	17.6
219.01949	1.3
219.06537	5.5
221.08131	13.2
227.07047	12.4
230.05562	1.5
233.08095	5.3
235.09566	2.6
245.08104	47.4
263.06552	2.5
263.09164	30.8
272.71417	1.7
275.00748	1.3
281.10294	4.0
281.14935	1.4
305.10175	2.5
307.08127	1.5
323.11234	20.1
331.08194	2.1
349.09164	12.8
367.10199	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	367.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69696	1.4
53.03946	1.7
55.05505	3.4
56.05030	3.9
56.96551	1.5
57.03440	3.7
60.04525	9.4
61.02930	2.5
67.84916	1.2
69.03426	9.4
69.07041	2.2
70.06595	35.8
70.95391	3.0
71.06928	1.7
72.08160	11.1
73.02921	2.0
74.02428	1.6
74.06075	6.5
74.44844	1.2
76.97173	1.2
79.05476	1.4
80.10532	1.4
80.41972	1.2
81.03415	4.4
83.06113	1.5
84.04500	13.2
84.08144	22.6
85.02906	26.6
85.08466	1.6
86.06082	1.5
86.09718	8.7
87.00806	3.0
87.04442	2.1
87.05183	1.1
87.05604	9.7
88.03973	2.6
91.05486	9.1
97.02898	7.6
98.06014	2.2
98.97573	4.0
99.04412	1.8
101.07122	2.5
102.05537	5.7
103.05453	3.4
109.02887	2.2
110.07175	10.5
112.08748	1.9
115.05434	1.6
115.08688	3.0
116.07056	3.1
116.98683	1.7
118.06530	13.6
118.08651	10.4
119.04951	3.5
120.06625	2.5
120.08112	32.0
121.06480	1.6
123.04416	4.0
126.12849	1.4
127.03886	3.2
127.08689	7.1
128.06277	1.7
129.06978	4.1
129.10245	10.7
130.05000	2.1
130.06526	8.3
132.08072	5.5
133.06082	11.8
135.04398	3.8
136.07588	6.8
137.02353	2.6
137.05963	4.7
140.07130	1.6
142.06525	2.5
143.07312	3.1
144.08098	18.7
145.04913	2.4
145.06499	2.6
145.07584	2.7
146.06015	41.9
147.04407	8.7
149.05998	3.7
155.08185	5.7
156.08051	7.1
157.06425	2.9
158.09637	1.6
159.09166	3.5
160.07533	4.2
161.05957	3.3
162.09149	4.0
163.03941	6.6
164.06987	1.7
165.05478	12.6
166.06332	1.5
167.07076	5.1
168.08072	3.9
169.06271	1.4
170.06003	4.9
171.08057	2.0
172.07549	3.4
173.06003	3.0
175.07536	3.9
177.05467	2.1
178.05013	5.6
182.06189	2.7
183.06796	1.7
184.07588	3.3
185.05898	1.8
186.09161	1.4
188.07069	100.0
189.03983	2.2
189.07457	2.5
192.07819	4.0
199.07504	2.9
200.07118	1.7
202.08621	3.8
203.07047	2.6
204.15956	1.9
205.09741	43.0
205.16216	3.7
206.04633	7.8
207.06638	1.9
207.11234	20.8
213.12352	6.4
221.07976	1.9
227.07014	2.0
227.11421	1.6
229.09714	1.6
230.08133	24.9
234.12337	4.5
235.10750	5.5
244.13902	1.8
245.08006	7.0
247.10764	10.2
252.13295	2.1
254.13013	1.4
258.11322	2.4
263.09177	5.6
303.13110	1.4
307.07938	1.9
331.12634	2.4
332.11218	4.7
349.09125	2.7
349.14087	3.3
350.12341	12.2
367.10141	12.3
367.15094	9.8
367.19540	3.4
387.61331	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01878	0.8
55.05516	19.0
57.03450	0.8
57.07079	2.7
60.08170	2.3
65.03947	1.6
66.04710	0.4
66.41692	0.3
67.05509	47.9
69.07072	25.1
71.05003	1.4
71.08641	1.1
71.17221	0.7
73.02925	1.8
79.05499	9.1
81.07062	49.8
83.05008	0.7
83.08624	8.5
85.06554	1.3
86.09719	1.0
87.04511	0.4
90.18350	0.3
91.05479	3.9
93.07053	9.1
95.04965	0.4
95.08612	36.9
97.06541	1.3
97.10188	3.2
99.04433	2.6
99.08131	0.8
101.06047	0.6
105.04540	0.3
105.07037	2.3
107.08605	4.7
109.06522	0.6
109.10162	13.0
111.11726	0.6
113.06100	0.4
119.08587	2.3
121.10155	3.1
123.08085	0.9
123.11703	3.8
125.09676	0.4
131.08583	0.9
133.10175	1.5
135.08086	0.4
135.11729	1.5
137.09615	0.6
137.13272	1.6
145.10181	0.8
147.11714	1.3
149.09656	0.6
149.13289	1.0
151.11203	0.3
151.14845	1.2
159.11688	0.5
163.11203	0.4
163.14830	0.6
165.12924	0.4
165.16422	0.8
173.13264	1.0
177.16380	0.4
179.14404	0.5
187.14842	0.4
195.13811	0.4
199.51125	0.4
200.30193	0.4
223.17055	0.5
307.26318	68.8
308.26721	1.4
327.25299	0.3
330.25208	0.5
348.26166	1.5
349.27399	0.7
353.63925	0.3
359.52225	0.4
364.00027	0.4
366.27271	3.5
366.33679	100.0
367.24536	0.5
367.33963	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
57.07086	4.6
58.06588	1.6
63.85479	0.4
65.03944	2.1
69.03407	0.5
69.85497	1.7
70.06601	13.6
71.08633	2.8
85.39577	0.4
88.07639	19.1
91.05526	0.6
102.09190	11.6
104.34585	0.5
121.02895	0.9
121.06484	0.7
139.03903	1.3
149.02359	78.1
149.03410	3.6
193.04980	96.6
194.05321	0.9
195.59813	0.5
200.20113	46.8
201.05589	0.5
204.08635	0.9
366.22794	100.0
367.11874	0.9
367.23117	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3003
Annotation	Melophlin P
Peak:m/z	Relative Intensity
52.16594	0.1
55.05511	1.7
56.62449	0.1
57.07068	0.4
65.03944	0.2
67.05507	7.5
67.55589	0.2
68.05028	0.3
69.03434	4.2
69.07065	1.8
69.46564	0.4
69.46964	0.9
71.08611	0.3
74.22749	0.2
79.05491	1.7
81.07057	6.5
83.08628	1.0
86.06068	100.0
87.04466	13.7
87.06403	0.3
91.05485	1.1
93.07045	1.8
95.08606	5.0
97.06518	0.2
97.10168	0.4
104.07104	19.8
105.07035	0.7
107.08575	1.0
109.10146	2.0
119.08586	0.6
121.10150	0.9
122.92596	0.2
123.11719	0.9
131.08612	0.2
133.10147	0.6
135.11729	0.4
137.13277	0.4
147.11710	0.5
149.13289	0.4
151.14870	0.2
161.13347	0.3
163.14828	0.2
164.41138	0.2
175.14841	0.3
245.22658	0.9
263.23697	1.4
307.26370	0.5
332.06281	0.2
348.29089	0.3
366.29984	4.4
366.33817	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25933	1.0
51.82012	0.9
55.01876	1.3
55.05510	6.4
56.05039	10.0
57.03429	1.7
58.06599	3.9
60.04530	33.0
64.29939	0.9
67.05511	4.6
69.03442	2.3
69.07071	4.1
70.06603	15.8
71.06936	2.2
71.51490	1.6
72.08158	56.6
74.06086	25.8
79.05484	3.3
79.35344	1.1
81.07053	7.2
82.06575	2.0
83.06156	1.1
84.04508	9.9
84.08138	6.8
85.02917	3.3
85.06563	1.7
86.09710	43.7
88.03997	1.2
91.05485	9.2
93.07037	4.5
94.73165	0.9
95.08611	4.3
97.02904	1.6
101.07150	14.3
102.05556	1.7
103.05460	2.1
105.07056	2.2
107.08608	1.7
108.57867	1.0
109.06522	1.3
109.10185	1.6
110.07166	4.0
110.09651	2.1
111.08136	0.9
112.07621	1.0
112.11271	2.1
116.07103	2.1
119.04945	4.6
119.08556	1.3
120.08112	100.0
121.10143	1.3
128.10719	14.4
129.10255	4.9
130.06589	2.2
131.08597	1.2
132.10225	2.1
133.10159	2.5
136.06215	21.8
136.07587	67.9
138.09100	1.6
141.09108	1.5
144.06564	1.5
145.02876	1.2
146.06033	3.5
147.11610	1.5
148.06183	1.2
155.11777	1.5
156.03122	1.1
158.09654	2.9
159.74614	1.1
166.08658	10.0
169.12262	1.1
173.12865	55.5
176.10760	3.1
177.05568	1.4
187.09740	1.9
194.00568	1.3
201.12346	31.4
204.12474	16.8
207.11316	31.6
209.02641	2.8
210.03040	3.6
221.12869	18.7
233.16490	26.9
235.10789	11.4
249.12347	8.2
251.15054	1.1
253.11862	4.8
261.15985	6.8
264.07114	1.2
265.15573	1.2
267.13373	5.7
276.23264	1.4
294.24344	3.1
295.16605	1.8
312.25287	3.5
330.26517	7.1
348.19308	3.8
348.27441	12.9
366.12494	1.4
366.17709	12.3
366.28586	23.2
367.10837	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2023
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
60.04528	20.5
62.69119	0.4
63.92593	0.4
69.03438	0.6
69.07083	1.2
70.02953	1.6
70.06603	3.8
72.04524	0.9
72.08160	1.7
81.07043	0.4
84.04506	1.1
84.08130	3.7
86.09710	72.8
87.05594	15.9
87.06132	0.6
91.05474	0.8
93.07042	0.6
97.06524	1.1
98.06888	0.4
98.20708	0.8
98.97577	0.6
103.05478	1.5
105.07071	0.5
106.56481	0.4
110.07179	1.2
112.11258	1.2
116.07097	0.7
120.08112	33.8
126.09130	0.7
127.97158	0.4
128.10716	9.4
129.10214	2.3
131.04945	0.5
133.06120	1.2
137.05983	0.6
142.23012	0.4
144.08112	1.3
149.05981	0.7
162.09172	1.7
163.03923	1.3
164.04333	0.7
166.07224	0.7
166.08644	14.9
173.02365	0.7
173.12868	100.0
174.13216	1.0
177.05472	0.7
192.07828	0.5
192.56499	0.5
201.12350	33.4
207.11293	8.9
216.07385	1.1
219.13326	0.8
235.10808	2.8
259.09607	0.7
260.10049	1.0
276.84546	0.4
278.11026	1.0
279.17154	2.3
292.18875	0.5
300.52493	0.4
348.20255	0.5
366.14713	0.7
366.22272	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01875	5.7
55.05508	13.5
56.05029	10.0
56.46071	3.0
56.96547	6.0
57.03426	11.4
60.04518	13.0
61.02937	3.8
62.48463	3.0
66.58656	3.3
67.05493	9.5
69.03435	52.8
69.07080	18.3
69.43118	9.4
69.43527	16.3
70.06598	66.8
71.01360	3.8
71.04987	14.2
72.08163	39.7
73.02921	3.2
74.06071	4.1
79.05493	5.1
81.03419	33.5
81.07053	6.4
82.06582	4.5
83.08596	4.6
84.04505	13.7
84.08150	48.2
85.02913	59.8
86.09718	45.4
87.00829	34.3
87.04462	4.3
87.05597	7.3
88.04002	4.4
91.05481	14.9
93.07034	5.7
95.04974	3.4
97.02301	6.1
97.02898	81.6
97.06534	18.7
98.06879	5.6
98.97596	6.5
99.04478	22.7
105.01864	32.8
105.07025	8.0
107.04984	5.1
107.08591	7.6
109.02882	11.2
109.09453	3.1
109.10163	17.2
110.07201	17.8
112.11267	6.2
115.08665	5.5
116.07092	5.2
117.03377	5.1
119.04980	4.6
120.08107	36.5
121.06535	3.8
127.03928	100.0
127.08665	3.4
129.10248	24.2
130.05031	6.7
131.04904	3.5
133.10138	10.0
136.06187	14.0
136.07568	12.2
137.04742	3.5
137.05972	18.5
141.09177	3.6
143.68556	3.3
145.02847	6.6
145.03917	6.7
145.04964	71.3
149.05948	3.6
151.11140	8.9
163.03951	19.1
164.04251	8.1
166.08601	5.4
167.06992	6.8
169.12247	12.6
173.02303	5.4
173.12888	18.4
174.02676	6.1
177.05499	8.3
180.10120	4.2
187.10715	7.9
192.04749	3.7
192.07854	4.6
201.12398	5.4
207.11278	6.7
213.04117	5.4
215.07031	7.4
216.07428	11.3
231.05020	59.7
237.12372	6.1
249.06067	29.7
259.09967	4.8
260.09863	18.0
277.10736	4.0
278.11151	12.8
297.08859	6.1
306.13318	3.3
322.20029	7.0
348.20181	8.1
349.12204	4.5
366.13678	7.7
366.21674	25.4
367.22818	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	366.1773
Annotation	Isopentenyladenine-9-glucoside
Peak:m/z	Relative Intensity
53.58920	0.3
55.01880	0.3
55.05503	0.7
56.05035	0.6
57.03434	0.4
60.04528	9.0
61.02929	0.8
67.05498	1.2
69.03427	2.7
69.07068	5.8
69.41660	0.9
69.42081	1.2
69.45795	0.2
70.06599	4.5
71.05017	0.4
72.08154	1.9
73.02932	0.4
74.06070	0.4
79.05489	1.1
80.04993	0.3
81.03413	1.2
81.07065	1.6
84.04506	1.0
84.08139	2.0
85.02909	3.0
86.09707	3.0
87.04429	0.3
89.76420	0.3
91.05471	0.8
93.07035	1.3
95.08606	0.8
97.02897	1.5
98.06052	0.3
99.04494	0.5
102.05526	0.4
105.07038	0.8
107.08615	0.6
108.59273	0.3
109.10181	0.3
110.07182	1.5
112.11241	0.3
116.07094	0.5
116.84523	0.3
117.03413	0.4
119.03532	0.8
119.08620	0.3
120.08109	2.4
121.10133	0.4
127.03947	0.4
129.10242	1.0
129.13863	0.5
130.04987	0.4
130.06509	0.4
133.10112	0.6
135.11673	0.4
136.06187	100.0
137.04578	0.5
138.05528	0.6
141.70551	0.3
145.02856	0.4
147.11674	0.4
148.06195	4.0
152.67374	0.3
163.03894	0.4
169.08487	0.3
177.05424	1.3
204.12454	70.6
205.12723	1.0
207.07727	0.4
207.11339	1.2
209.02574	0.5
210.03122	0.9
219.14796	0.4
235.10640	0.3
249.52895	0.3
251.14975	0.3
276.23239	0.4
294.24191	0.3
312.25378	1.1
330.26227	2.1
348.27411	2.9
366.17737	47.4
366.28470	7.6
367.18015	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68482	0.6
53.03941	0.8
55.01868	1.3
55.05501	1.6
55.42213	0.6
56.05025	0.9
57.03431	1.6
58.12337	0.6
60.04229	1.4
60.04528	23.0
61.02927	1.2
67.05523	0.7
69.03434	8.4
69.07065	7.0
70.02944	1.1
70.06599	11.6
71.05010	1.2
71.51712	0.7
72.08156	6.1
73.02918	1.6
74.06053	0.9
76.42345	0.6
77.83987	0.6
80.27837	0.6
81.03419	4.1
81.07067	1.6
84.04491	2.7
84.07703	0.7
84.08156	6.5
85.02386	0.9
85.02907	21.2
86.09710	73.4
87.00841	10.9
87.05601	14.3
87.06115	0.9
91.05473	2.7
93.07036	1.1
95.04983	1.1
95.08575	0.7
97.02892	7.3
97.06522	1.3
98.03315	0.7
98.97610	1.1
99.04498	3.5
100.11227	0.7
103.05450	1.6
105.01865	20.1
105.02579	1.1
105.06610	2.5
107.04955	1.1
109.02866	6.2
110.07148	3.3
110.09634	0.6
112.11272	1.3
115.03968	0.7
116.07099	1.0
120.08109	28.4
123.11701	0.7
127.03927	15.4
128.10722	12.3
129.10208	3.1
130.05070	0.8
132.10194	0.9
136.06242	0.7
136.07616	2.3
137.05978	1.5
144.08070	1.9
145.02872	0.7
145.04977	8.1
147.04410	1.3
155.11906	0.7
158.09595	1.1
159.02852	1.5
162.09155	1.5
163.03917	2.5
164.04240	0.9
166.08664	10.6
173.12868	100.0
174.13222	1.1
177.05460	1.1
186.09135	1.5
189.03983	1.3
196.09723	2.2
201.12352	26.7
201.14240	1.5
204.10143	1.2
205.13135	0.7
207.11334	8.4
209.02580	0.7
210.03038	0.8
213.03917	1.6
231.05002	6.5
235.10818	2.7
249.06075	3.4
278.79102	0.7
279.17087	1.1
366.14758	1.0
366.23239	1.9
366.28513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01872	6.1
55.05517	4.8
57.03425	4.9
60.19923	1.6
61.02926	6.1
62.64811	1.6
68.99789	2.7
69.03432	38.7
70.95808	1.9
70.96146	2.6
71.04987	6.0
72.90145	1.4
73.02917	9.0
81.03419	23.0
83.08614	2.2
84.08128	1.8
85.02910	100.0
85.50703	1.7
86.13992	1.5
87.00832	42.1
87.01354	2.4
97.02895	34.6
98.71670	1.7
98.97602	3.7
99.04465	13.4
101.04046	1.5
104.06429	1.5
105.01872	60.3
107.08588	1.7
108.04463	1.9
109.02885	26.1
111.08096	3.0
117.01842	3.5
127.03922	70.9
129.01880	2.8
133.79382	1.6
145.04967	39.8
151.07489	1.8
159.02895	14.6
167.10718	1.8
189.03998	4.6
209.11786	4.8
213.04048	3.0
231.05011	20.4
249.06085	5.6
295.11737	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	366.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01870	5.7
55.05514	2.9
56.05037	1.3
57.03448	6.3
60.04529	21.6
61.02937	6.5
67.05500	1.9
68.99780	2.8
69.03432	37.7
69.07079	5.8
69.20563	10.4
70.02937	2.6
70.06597	18.3
71.04984	5.0
71.06922	1.5
72.08157	6.5
73.02919	5.1
79.05499	1.5
81.02996	1.6
81.03426	20.8
81.07047	1.6
83.08624	1.8
84.04501	4.1
84.08149	7.6
85.02911	100.0
86.09711	67.0
86.10259	2.4
87.00834	50.5
87.05596	12.4
88.03999	1.5
91.05493	1.7
93.07052	1.9
95.08583	1.2
97.02898	29.1
97.06545	1.5
98.20698	2.4
99.04452	11.5
101.02354	1.4
103.05494	1.2
105.01873	98.8
105.07113	1.5
107.08610	1.3
108.04478	1.7
109.02894	30.1
110.07153	4.3
110.09647	1.0
112.11230	3.4
117.03440	1.1
120.08118	26.2
127.03926	78.6
128.10739	10.4
128.87259	1.0
129.01843	3.0
129.10207	3.3
136.07579	1.3
137.05917	1.8
143.11816	1.2
144.08022	1.9
145.02931	1.9
145.04967	35.5
147.02800	1.5
147.04330	1.4
158.09637	1.4
159.02879	12.5
162.09163	3.1
163.03905	4.4
164.04269	1.9
166.08658	8.2
173.02283	1.4
173.12871	75.5
174.02605	1.3
177.03944	1.3
177.05482	2.9
189.03955	4.5
192.07719	2.0
194.00308	1.8
195.00641	3.1
201.12343	21.0
204.10240	1.1
206.61650	1.0
207.11308	10.9
209.02716	6.4
210.03030	6.2
213.03999	3.7
216.07336	2.1
231.05020	29.1
232.05470	1.3
233.09317	1.6
234.81818	1.0
235.10840	4.0
243.70940	1.1
249.06070	14.8
252.42744	1.1
278.10992	3.6
331.13644	1.4
348.19727	2.0
361.22379	2.1
366.15051	1.0
366.20844	1.9
366.28519	3.9
375.91702	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98036	0.6
52.62419	0.6
67.70686	0.6
70.83411	1.0
70.83757	1.3
71.73266	0.9
81.97692	0.7
101.00900	1.1
119.01984	1.5
132.49048	0.6
177.00969	6.1
198.97867	1.4
199.26869	0.7
201.00885	0.9
216.98979	4.1
219.02045	11.8
220.52235	0.7
222.98048	1.0
234.99956	8.8
240.98944	11.1
243.02086	2.3
245.71693	0.6
253.01111	1.3
259.00027	32.0
260.00201	1.5
261.00299	1.5
261.03073	24.6
262.03256	1.0
263.02994	1.2
264.98718	3.8
273.98679	1.6
277.01074	19.6
278.01215	2.0
282.99997	83.2
284.00009	3.0
284.99960	0.9
291.99799	1.1
298.88577	0.7
301.01062	100.0
302.01212	5.5
303.01077	1.1
319.02063	3.9
323.22638	0.8
324.02591	2.6
325.01013	14.9
343.02133	65.9
344.02234	2.3
361.03146	15.9
366.03784	1.9
385.03094	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01867	5.9
55.05510	2.5
56.60918	1.4
56.72914	1.2
57.03442	6.6
61.02930	7.1
68.99796	2.4
69.03085	2.4
69.03438	32.3
71.04998	5.4
71.12186	2.8
73.02937	6.2
77.56630	1.2
81.03429	22.1
83.08592	1.7
85.02911	100.0
87.00837	43.6
97.02898	27.9
98.97594	3.2
99.04463	12.9
105.01878	75.4
108.04504	2.0
109.02893	26.6
111.08094	2.4
115.03970	1.5
117.01861	3.5
122.07777	1.4
126.05544	1.8
127.03929	72.2
129.01843	2.6
134.14540	1.2
136.06145	2.3
139.07571	1.7
141.09166	2.3
145.04974	38.1
145.06171	1.8
147.02861	2.2
151.07484	2.0
159.02919	14.9
189.03952	4.2
191.10690	1.5
209.11752	4.6
213.03967	1.9
223.09801	1.3
231.05034	22.6
232.05003	1.5
248.07706	2.3
249.06149	6.3
258.44208	1.3
269.13962	1.7
295.11765	5.8
299.72467	1.4
301.17941	2.6
313.12891	1.8
337.56619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01859	2.0
55.05516	5.9
57.03432	1.9
57.07067	2.0
65.47293	0.8
67.05506	8.2
69.03416	1.3
69.07076	10.2
69.92725	3.4
71.04979	2.3
73.06578	0.9
79.05494	6.9
81.07066	14.5
83.04974	3.7
83.08626	5.6
85.06552	5.9
86.77328	0.8
91.05497	6.7
91.16021	0.7
93.07042	8.9
95.08608	12.2
97.06526	2.8
97.10207	1.6
98.20831	1.0
100.94154	0.9
105.07036	6.8
107.08601	11.9
109.06511	4.1
109.10175	6.0
111.04464	1.1
111.08090	1.9
113.05994	1.0
117.07015	1.2
119.08583	10.6
121.06490	2.9
121.10136	6.7
123.08073	8.6
123.11708	2.7
125.05988	1.0
125.09678	0.9
131.08572	3.0
133.10143	7.5
135.08064	100.0
135.11635	5.5
136.08789	0.9
137.05986	2.2
137.09627	14.5
143.08545	1.5
145.10159	7.1
147.08086	0.9
147.11761	4.2
148.08812	0.9
149.09631	13.3
149.13260	2.4
152.40054	0.8
157.10127	2.4
159.11674	5.4
161.09630	3.8
161.13271	1.1
161.51590	0.8
163.11148	2.4
163.14758	0.8
171.11662	2.0
173.13281	2.9
175.11148	2.5
175.14787	1.1
177.12759	11.0
179.14311	1.0
185.13231	1.0
189.12738	2.2
191.14308	1.9
193.12302	1.0
195.13786	1.4
217.19534	0.9
261.22229	1.7
277.21609	1.3
287.20029	2.3
289.21582	3.8
291.19565	16.9
301.25229	3.2
305.21173	15.0
307.22665	16.6
311.23819	1.7
319.26407	1.4
329.24762	22.8
330.24918	1.3
347.25821	81.9
348.26108	2.2
365.10278	1.0
365.26862	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01864	2.2
55.05517	11.8
56.96563	2.7
57.03438	2.2
57.07080	83.3
59.05007	1.3
67.05511	16.6
69.07072	42.4
69.85436	5.9
70.06585	1.4
71.04985	2.8
71.08614	2.0
73.06522	1.3
75.93607	1.0
79.05508	13.1
81.07059	18.4
83.04976	6.6
83.08623	10.3
85.06551	55.8
91.05494	5.8
93.04663	1.2
93.07052	21.1
95.04967	2.0
95.08618	19.8
97.06544	14.0
97.77125	1.1
98.97592	4.0
99.08111	1.5
105.07023	4.9
107.08598	19.9
108.43271	1.3
109.06523	21.7
109.10193	8.4
109.10903	1.8
110.97597	1.4
111.08096	8.8
111.11732	3.3
113.06020	1.4
116.98576	1.5
117.07007	1.9
118.69958	1.1
119.08578	5.2
121.10117	5.7
123.08086	10.6
123.11671	2.6
125.05988	1.2
125.23071	1.3
133.10123	3.7
135.08063	28.2
135.11691	28.5
137.05946	1.3
141.83534	1.2
143.08560	1.7
145.10124	4.2
147.11681	3.9
149.09634	5.1
149.13368	1.4
151.07474	3.0
151.14026	1.5
153.12756	16.2
159.11745	3.0
161.09700	1.6
161.13356	1.3
163.11195	4.3
165.12772	11.0
167.14377	3.6
173.13213	1.4
177.12761	10.7
179.14323	5.2
187.98801	1.5
191.14389	2.5
193.12271	3.2
195.13821	2.9
201.14777	1.4
205.15886	1.9
217.14345	16.1
253.63313	1.4
263.20068	56.0
279.19611	4.7
281.21179	3.9
291.19617	2.2
319.26346	1.6
329.24973	2.2
337.27414	4.0
347.25836	100.0
348.26321	1.7
365.22983	10.9
365.26978	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
51.33557	0.4
54.07578	0.4
55.01851	0.7
55.05519	2.5
56.96540	0.4
57.07082	7.0
62.90313	0.3
67.05513	3.6
69.07078	4.6
69.07435	0.8
69.85172	0.7
69.85569	1.9
71.08591	1.2
79.05496	2.4
81.07059	5.6
83.04964	0.9
83.08599	1.3
85.06087	0.4
85.06542	4.1
86.09682	0.6
91.05489	1.9
93.07049	4.0
95.04951	0.6
95.08614	4.2
97.06534	2.0
98.20824	0.4
99.08069	0.5
104.10718	0.7
105.06987	1.8
107.08614	3.5
109.06529	3.7
109.10120	1.6
111.04434	3.0
111.08075	0.8
117.01296	0.4
119.08592	2.1
120.75279	0.4
121.06439	0.5
121.10130	1.5
123.04397	0.5
123.08067	5.1
123.11678	0.6
124.99947	0.4
125.06025	2.1
133.10083	1.2
135.08064	2.9
135.11687	2.2
137.05940	2.0
137.09636	0.6
137.13220	0.4
138.52888	0.5
139.07500	0.9
145.10094	0.9
147.11635	1.2
149.09607	1.2
151.07596	3.6
152.08345	3.0
153.12753	0.9
159.11742	0.4
161.09624	0.8
163.11241	0.9
163.14766	0.5
165.09129	12.5
165.12811	0.6
166.09882	0.8
175.11229	0.6
177.09039	0.5
177.12741	0.6
179.10648	1.6
179.14323	1.0
181.12283	0.7
193.12196	1.2
193.53149	0.4
195.13779	1.0
208.14658	2.0
221.15456	2.0
235.20589	0.5
249.18471	1.5
263.20093	3.6
267.64401	0.4
305.21335	0.7
305.24777	10.5
306.25006	0.9
307.26260	0.5
319.26318	6.3
329.24722	0.6
337.27325	0.9
347.25824	56.0
348.26242	0.6
356.55142	0.4
365.26889	100.0
366.27148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	3-Acetylvarodiol
Peak:m/z	Relative Intensity
51.51996	0.6
55.05504	2.2
57.07074	10.9
66.80351	0.6
67.05496	2.7
69.07057	2.3
71.08616	0.7
71.12080	1.4
79.05476	1.6
81.07066	4.0
82.01681	0.6
83.08614	1.3
85.06543	7.6
89.21214	0.6
91.05482	2.0
93.07022	1.0
95.04964	0.8
95.08607	4.2
97.06545	1.0
97.10189	0.7
105.06983	1.4
107.08576	2.0
109.05824	0.8
109.06528	11.9
109.10172	2.5
119.08586	1.6
121.10165	1.1
123.08051	2.0
132.89490	0.7
133.10170	1.0
135.11697	0.9
137.05945	1.9
145.10126	1.0
147.11722	0.9
151.07559	6.4
165.09129	1.4
188.73827	0.7
193.12212	0.7
235.20747	0.7
263.20074	100.0
264.20364	1.8
305.24750	0.8
347.25897	3.8
365.10815	1.3
365.26810	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
51.75903	0.2
52.05540	0.2
55.01884	0.3
55.05503	0.8
57.06833	0.2
57.07079	3.3
60.04527	0.3
66.19097	0.3
67.05501	1.0
69.07058	0.9
70.11884	0.8
79.05482	0.9
81.07051	1.9
83.08603	0.3
85.06543	1.7
86.43601	0.2
91.05468	0.6
93.07047	0.9
94.62486	0.2
95.08609	1.7
96.82356	0.2
97.06544	0.4
105.07060	0.5
106.05026	0.7
107.08595	0.8
109.06532	1.3
109.10152	0.6
110.07323	0.2
119.08584	0.7
121.10139	0.5
123.08073	2.5
123.11745	0.3
124.08852	1.6
124.58754	0.2
133.10162	0.4
135.08017	1.0
137.05969	0.9
137.09627	0.3
139.07556	0.5
145.10204	0.3
147.11620	0.2
149.09601	0.2
149.46251	0.2
151.07559	2.7
151.11203	0.3
152.08322	5.5
161.09610	0.5
165.09114	7.9
165.12822	0.2
166.09888	0.4
177.09111	0.5
179.10680	1.9
181.12241	0.3
187.05760	0.2
193.12210	0.3
194.13020	3.6
195.13770	0.4
207.13846	1.0
221.15378	0.3
235.16925	0.6
249.18518	0.9
263.20065	2.7
277.21671	0.3
305.24771	0.3
306.25134	0.2
307.26276	0.3
319.26282	1.1
337.27304	0.3
347.25821	17.3
348.26053	0.4
365.26868	100.0
366.27261	2.0
366.33585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
55.05509	0.6
56.96559	0.7
57.03431	0.6
62.64574	0.3
64.20305	0.3
67.05501	1.1
69.07055	0.9
70.03844	1.6
70.06594	0.4
71.04980	0.4
73.60480	0.4
79.05487	1.2
81.07050	1.9
84.08139	0.4
91.05469	0.9
93.07050	1.3
95.04994	0.5
95.08607	0.6
98.97568	1.1
105.07066	0.7
107.08582	0.7
109.06504	0.6
109.10122	0.5
112.11248	0.8
112.99156	0.4
116.98665	0.5
119.08566	0.5
131.08511	0.4
133.10086	0.4
135.11678	0.5
168.27660	0.4
195.05063	0.7
197.12987	0.4
211.30284	0.4
213.09731	0.5
220.09549	0.3
265.97321	0.5
267.14432	1.3
273.18442	0.6
285.15390	0.7
291.19632	0.7
333.19162	1.3
335.22162	0.5
346.99155	0.4
347.22113	0.7
365.22986	100.0
366.23282	2.3
383.22711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.69217	0.4
55.05505	0.9
57.07073	2.3
63.46123	0.4
67.05489	1.6
69.07056	1.7
69.67831	1.1
69.68244	1.3
78.64371	0.4
78.74389	0.4
79.05466	0.6
81.07051	2.7
83.08620	0.4
85.06533	0.9
91.05488	2.2
93.07037	1.0
95.08611	2.2
97.06530	0.4
99.47987	0.4
100.78165	0.4
101.29778	0.4
104.59808	0.4
105.07027	0.8
107.08583	1.2
109.06521	1.4
109.10139	1.3
119.08572	0.9
121.10107	0.6
122.46820	0.4
123.08070	2.6
124.08858	1.3
131.08649	0.4
133.10101	0.7
135.08025	0.8
135.11723	0.7
137.05995	1.0
137.13248	0.5
145.10097	0.5
147.11662	0.7
151.07529	2.6
152.08322	5.2
165.07782	0.8
165.09114	7.5
166.09904	0.8
177.12718	0.5
179.10683	1.9
194.13031	3.0
207.13847	1.5
235.17070	0.4
249.18524	0.6
263.20096	1.9
277.21793	0.6
305.24771	0.4
319.22943	0.4
319.26328	1.6
337.27283	0.5
347.25797	15.3
348.25946	0.6
365.26868	100.0
366.27515	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01864	3.0
55.05518	12.6
55.06329	1.4
57.03426	3.1
57.07080	91.4
59.04985	2.9
63.96387	1.2
67.05505	14.8
69.03411	1.7
69.07073	38.8
71.04979	4.0
71.08629	2.1
71.10043	1.1
71.52700	2.3
79.05506	13.2
80.70969	1.1
81.07063	22.4
83.04968	4.0
83.08627	9.7
85.06548	61.4
85.81883	1.2
91.05495	6.4
93.07046	21.0
95.04986	2.1
95.08622	20.4
97.06535	18.9
97.07094	2.3
98.97598	3.3
99.08113	1.2
101.06033	1.7
104.03770	1.2
105.07025	5.3
107.08607	20.8
109.06530	23.0
109.10162	9.4
111.08100	7.3
111.11738	2.9
119.08598	4.7
120.68721	1.3
121.06448	1.6
121.10133	7.0
123.08066	13.5
123.11716	2.4
131.08588	1.5
133.10124	4.3
135.08072	31.3
135.11699	28.5
137.05933	1.5
137.09625	1.4
137.13245	2.1
142.45816	1.3
145.10121	2.9
147.11700	3.0
149.09636	2.7
149.13203	2.1
151.07544	5.5
153.12753	15.8
161.09621	1.5
161.13261	1.5
163.11238	2.8
165.12787	11.1
167.14336	3.2
177.12798	10.2
179.14348	4.8
181.12242	3.1
183.13744	1.7
185.13365	1.4
191.14363	1.4
193.12234	2.5
195.13887	1.6
201.14911	2.0
208.78249	1.2
217.14355	14.6
263.20071	52.6
264.20224	1.5
272.93100	1.2
279.19522	5.5
281.21207	2.7
291.19623	2.6
329.24860	2.0
337.27335	4.1
347.25842	100.0
348.26373	1.4
365.22824	7.1
365.26895	26.8
367.63785	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
56.96553	7.4
57.03418	2.8
67.05496	6.6
69.03425	3.0
69.07043	3.5
69.83421	10.5
72.08164	3.0
79.05477	6.6
81.07046	9.9
83.04979	3.1
84.08145	5.0
91.05517	4.7
93.07043	5.4
95.04966	3.4
95.08614	5.4
98.21463	4.1
98.97575	9.4
105.07027	6.5
107.08618	5.4
109.06515	4.3
109.10160	3.6
110.97566	2.2
112.11243	3.8
116.98608	3.2
117.07094	2.5
119.08577	4.8
125.43024	2.0
129.13890	2.2
131.08582	2.9
133.10172	2.7
142.36816	2.0
149.01083	2.4
158.99626	2.9
161.13486	2.3
163.03857	3.6
182.19019	3.5
197.13000	2.3
263.12543	3.7
273.18530	3.1
284.12766	6.7
291.19470	3.4
319.15302	2.1
347.22009	2.3
354.16562	2.6
365.10529	4.4
365.15320	6.0
365.22974	100.0
365.31839	8.2
366.22977	3.3
378.55539	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
56.96572	39.8
57.26384	2.6
67.05511	6.6
69.07065	8.3
69.26266	10.1
69.26682	13.3
71.95248	3.5
79.05489	4.9
80.11833	2.5
81.07063	10.8
83.05000	2.6
84.08149	3.1
84.96060	7.1
86.97607	2.9
91.05481	5.3
93.07037	7.8
95.08626	9.1
98.97587	50.4
105.07021	6.3
107.08614	5.1
109.10190	5.9
116.98629	16.8
119.08565	5.4
121.10193	2.9
131.08626	3.4
131.76707	3.1
132.98143	6.7
145.10187	3.3
147.11729	3.2
150.99184	7.2
158.99724	4.4
169.00284	3.9
170.99680	5.2
172.06145	2.9
186.99178	3.6
189.00754	5.0
190.98622	5.8
199.06461	5.3
206.98143	8.1
208.99680	3.9
217.07500	3.9
232.99712	3.3
248.99159	3.7
251.09686	3.2
255.09129	4.1
269.10657	25.8
287.11606	5.9
292.12311	4.1
295.12161	9.8
343.91656	3.2
365.00479	10.8
365.17218	100.0
365.26825	5.1
383.17535	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	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72124	2.6
56.96569	28.4
69.82162	2.8
71.21400	3.9
71.21745	4.8
71.95247	3.9
75.61640	2.6
79.05482	3.0
79.80054	2.5
85.02856	3.0
93.07034	3.7
95.04917	2.7
98.97598	26.5
103.05402	2.6
107.08580	5.2
109.10136	2.7
110.97569	8.1
116.98614	6.6
128.98634	6.5
149.02319	3.5
158.99643	4.5
164.70355	3.0
167.07008	3.1
170.99686	8.0
177.00706	2.9
181.05061	4.2
189.00650	6.5
199.06416	5.0
213.07971	3.6
217.07451	3.5
231.09009	3.3
251.09514	7.1
255.09160	4.4
269.10617	37.0
287.11642	8.1
295.12158	9.2
313.12930	3.7
365.11325	8.4
365.17090	100.0
383.04919	8.6
383.17401	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	364.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84061	0.4
54.53800	0.4
55.05506	1.1
55.08209	0.4
57.07071	0.6
60.49023	0.4
67.05507	5.1
68.05021	0.5
69.03431	5.3
69.07069	1.6
69.50262	1.9
69.50677	1.1
79.05499	5.0
81.07062	5.6
85.02879	0.4
86.06070	100.0
87.03934	0.9
87.04470	15.2
91.05490	2.8
93.07047	6.0
95.08601	5.1
98.20831	1.0
104.07110	24.3
105.07056	1.5
107.08588	3.7
109.06510	0.6
109.10162	2.0
113.09642	0.5
117.07059	0.5
119.08582	1.3
121.10109	2.4
123.11726	1.1
131.08643	1.1
133.10104	0.7
135.11685	2.3
145.10121	0.6
147.11638	0.6
149.13329	1.4
153.88113	0.5
159.11690	1.1
161.13326	0.7
171.11902	0.5
173.13327	1.2
177.16457	0.6
233.22676	0.8
243.21089	1.8
256.31879	0.4
261.22165	3.5
276.97208	0.5
323.24051	0.5
364.21790	1.1
364.28439	3.7
364.31860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3211
Annotation	Terminaline
Peak:m/z	Relative Intensity
51.02359	0.5
52.14048	0.5
53.03942	2.2
55.01866	0.6
55.05515	18.7
55.05762	0.6
57.03414	0.7
57.07042	1.5
58.49537	0.5
59.04955	0.4
59.78892	0.4
60.08160	2.6
65.03907	1.9
67.05508	44.4
67.25878	0.4
69.07072	17.4
69.07422	0.6
69.59943	1.2
69.60357	1.6
71.04984	1.0
71.07351	0.5
73.02880	1.7
77.03899	0.4
79.05498	29.7
81.07059	35.4
83.04945	1.5
83.08166	0.5
83.08618	7.9
85.06522	1.1
86.09679	0.8
91.05485	11.6
93.07049	31.5
95.04944	2.0
95.08612	23.8
97.06495	0.8
97.10157	2.1
97.51895	0.5
98.20789	0.5
98.97566	0.6
99.04421	1.6
105.04485	0.9
105.06393	0.6
105.07037	6.9
107.07899	0.9
107.08598	17.6
109.06474	1.2
109.09491	0.6
109.10164	8.3
111.08075	0.5
113.05984	0.6
117.06969	1.0
119.08588	4.7
121.09355	0.6
121.10150	9.5
123.08059	1.0
123.11683	1.6
131.08528	1.7
133.10144	3.3
135.11697	5.7
138.56831	0.5
145.10095	1.3
147.11661	1.6
149.13280	3.5
154.13484	0.4
159.11691	0.8
161.13261	1.1
163.14787	1.6
169.96684	0.5
173.79936	0.4
197.38605	0.5
200.66751	0.4
213.16393	0.4
219.97115	0.5
305.24753	58.6
306.25003	0.6
364.32104	100.0
365.32217	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01980	0.6
71.50886	0.7
74.09749	0.6
84.08142	0.6
88.26246	0.5
94.93095	0.7
98.63738	0.6
98.97636	0.8
101.00900	0.7
110.50494	0.6
112.89632	1.8
114.89404	1.6
117.86145	0.6
118.08657	5.9
119.01969	1.4
119.09034	0.9
140.06900	1.7
143.01962	1.0
145.03513	0.9
155.01988	1.0
156.04222	5.2
157.03571	1.6
161.03062	1.1
173.02972	1.2
175.04623	1.4
185.02773	1.3
185.04247	10.5
192.49239	0.5
197.03195	0.6
203.05292	20.8
207.85004	0.6
227.04051	0.9
230.04681	0.6
242.19344	0.6
245.05135	5.1
257.05109	0.6
272.28690	0.6
305.07306	1.1
305.10516	0.7
315.27985	0.5
328.88666	0.8
333.94955	0.6
342.20282	0.7
347.09674	0.6
365.10754	100.0
366.11249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05515	4.9
55.42783	0.5
56.02845	0.5
57.07079	1.6
59.05000	1.1
65.03944	0.9
67.05251	0.4
67.05516	5.6
69.07072	10.1
70.80814	1.6
71.04987	1.0
71.08636	0.8
79.05093	0.6
79.05497	3.2
81.07059	11.3
83.04996	0.9
83.08623	5.2
85.06541	0.9
91.05484	2.3
93.07053	4.8
95.08614	8.6
97.06527	1.8
97.10188	0.7
99.08075	0.8
100.07649	0.5
103.77360	0.5
105.07059	3.0
107.08608	4.8
109.06518	8.8
109.10174	4.3
111.08082	2.2
119.08590	3.8
121.10138	2.6
122.07298	0.5
123.08076	55.8
123.11684	2.5
131.08551	1.6
133.10149	2.5
135.08047	4.7
135.11688	2.1
137.09631	5.3
145.10161	1.2
147.11702	2.4
149.09660	1.3
149.13309	1.7
154.59474	0.6
159.11757	1.3
161.13289	1.6
165.12721	1.1
167.14392	0.6
177.12750	0.9
179.12761	0.8
179.14334	15.1
209.06293	0.5
228.41496	0.5
254.73477	0.5
275.20084	2.0
284.64246	0.6
288.23282	0.5
289.25104	0.6
295.22760	0.7
303.26428	0.7
307.22693	7.1
330.45099	0.7
331.26205	4.1
363.28946	100.0
364.29480	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.01846	0.6
55.05299	0.5
55.05513	4.7
55.29388	0.6
57.07079	1.0
57.10022	0.5
67.05226	0.5
67.05513	5.1
69.06725	0.8
69.07069	7.9
70.91977	1.3
71.04984	1.0
71.08627	0.9
79.05486	3.0
81.07059	9.8
81.16256	0.5
83.04972	0.9
83.08624	3.6
84.48418	0.4
85.06563	0.9
91.05482	1.5
93.07046	4.6
95.08617	7.6
97.06542	1.3
97.10195	0.7
99.08118	0.5
105.07024	2.1
105.22206	0.4
107.08619	4.6
107.96551	0.5
109.06525	5.9
109.10142	4.0
111.08070	2.2
114.51366	0.5
117.07003	0.7
119.08608	3.7
121.06537	1.0
121.10130	3.1
123.08071	48.1
123.11691	2.0
133.10112	2.5
135.08054	3.3
135.11690	2.2
137.09627	2.9
145.10120	1.1
147.11693	1.7
149.09631	1.3
149.13240	2.5
151.11191	0.9
159.11662	0.9
161.13269	1.4
165.12715	1.0
179.14301	9.1
191.14284	0.6
233.19119	1.0
263.20102	0.9
275.20053	1.6
289.25348	0.7
298.63611	0.5
303.26923	0.6
307.22684	7.9
331.26318	4.4
363.28937	100.0
364.29236	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05520	8.6
57.07081	41.5
67.05509	16.0
68.99783	4.0
69.07079	9.0
70.00597	4.7
71.08634	23.2
79.05489	2.1
80.45263	1.2
81.07064	16.2
83.08617	8.0
85.10182	14.5
89.06026	5.0
93.07061	4.2
95.04958	2.0
95.08613	18.6
97.10184	5.1
107.04966	7.3
107.08569	1.6
107.60971	1.4
109.10173	8.4
110.03645	1.2
110.93594	1.3
111.04440	6.0
111.11713	3.1
117.63094	1.3
121.06541	5.7
123.04432	64.2
123.11688	1.9
125.05997	29.2
133.08624	1.4
135.08073	3.2
137.05972	3.4
139.03891	2.0
149.05992	48.4
153.05447	4.4
163.07545	24.3
177.09151	4.8
179.14333	3.6
215.10597	1.6
239.23636	1.8
275.55026	1.5
320.46701	1.7
345.27887	9.9
363.28946	100.0
364.29196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1073
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
56.39470	0.9
56.59001	1.0
56.96579	1.0
62.19720	1.0
62.53540	1.0
65.03936	3.0
67.05500	1.1
68.99783	1.9
69.03419	1.5
70.11909	3.5
73.63663	1.1
75.44703	0.9
78.04703	1.9
91.05488	3.5
93.03416	2.0
95.01326	3.2
95.04963	8.0
97.02890	7.1
98.21471	1.6
99.09818	1.1
105.03365	3.5
106.04167	3.6
107.04970	1.9
108.98241	1.0
109.02871	1.3
111.04415	3.1
118.04101	1.7
119.04936	1.2
119.11127	0.9
121.02883	17.8
121.06521	3.8
122.03689	2.4
123.04431	5.0
125.02356	3.4
125.05975	1.4
127.00279	1.0
127.03931	1.2
130.70801	0.9
133.02821	1.3
134.03644	7.2
135.04393	1.3
136.05215	1.2
137.06023	1.4
138.03120	3.8
139.03917	2.3
140.04674	3.0
141.05473	2.8
143.03394	1.3
147.04451	1.8
148.05159	3.2
149.02345	68.4
150.03157	2.0
151.03857	1.2
151.07590	5.8
152.04645	7.5
153.05481	12.0
155.03426	3.7
155.07031	2.0
157.04959	14.1
163.03969	1.2
164.04678	2.6
165.05440	3.8
166.02638	3.2
167.07048	73.0
168.00565	5.6
168.04182	2.0
177.05304	1.2
179.07039	12.1
180.07820	5.1
181.04961	100.0
182.05272	1.3
183.02922	11.8
183.06534	14.2
186.01672	1.5
191.07013	2.5
192.04172	1.0
194.02103	12.2
199.03958	1.3
201.05510	1.4
207.06497	3.2
209.04456	39.6
233.08156	1.5
243.06557	2.3
253.05019	1.2
259.06033	1.1
266.05670	1.2
269.04526	3.2
270.05392	1.7
271.06094	2.3
275.09073	3.0
283.05908	1.3
284.06802	2.2
285.07492	3.1
287.05475	3.5
297.03845	1.8
298.04721	4.8
299.05411	3.6
300.05994	1.3
303.08652	3.7
312.06308	1.6
313.07050	8.4
314.07596	2.2
315.05176	5.1
317.09940	1.4
318.03723	1.1
329.06586	3.8
330.07358	8.2
334.55344	1.5
335.11215	10.5
342.02176	1.7
342.06580	1.5
342.56802	1.3
343.56268	1.1
345.09714	14.8
356.03644	3.0
362.61676	5.8
363.10736	99.6
363.24994	4.6
371.06021	1.9
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
50.01627	2.9
50.55058	2.7
55.05509	19.4
57.07066	6.6
67.05185	4.2
67.05510	64.8
67.80457	2.6
69.07056	8.6
70.06582	4.6
70.76064	6.3
71.04997	100.0
71.08634	13.2
79.05474	9.7
81.07059	52.2
83.08604	11.5
85.06549	3.3
88.07619	3.8
91.05477	6.1
93.07039	8.1
95.08589	8.8
97.10186	20.2
99.08083	7.7
105.07001	7.4
107.08576	9.7
109.10167	41.2
119.08668	3.3
123.11715	12.8
125.09627	14.4
132.10196	10.6
135.11673	7.0
151.11143	6.5
155.10706	18.6
155.14308	70.8
163.11176	3.6
173.11749	68.5
177.12830	3.9
179.14333	3.5
189.11275	20.9
190.14284	2.9
194.13936	3.3
195.13826	3.2
227.16417	21.3
256.26361	6.2
259.20654	3.2
267.73486	3.2
277.21539	28.5
362.32663	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	362.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	4.3
58.06596	2.1
70.06593	14.3
70.79131	0.8
70.79459	0.6
71.08644	2.1
72.08162	2.0
75.81680	0.4
81.52921	0.4
84.08128	1.9
85.10201	0.6
86.09709	2.6
87.04441	0.4
88.07629	6.3
89.06012	0.5
102.09187	2.5
105.17011	0.5
107.21615	0.5
111.63388	0.4
132.10208	7.0
146.11754	7.1
194.57088	0.4
212.23759	1.8
238.25424	1.1
256.26367	10.9
277.82568	0.5
300.28967	35.4
309.76132	0.5
344.31631	0.6
362.32642	100.0
363.32953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.4
57.03448	0.9
58.06590	0.2
69.03435	2.3
69.07056	0.3
70.06583	0.7
70.21500	0.7
72.08157	0.5
73.02911	0.3
74.06077	0.9
82.09666	0.2
84.04504	1.4
84.08139	0.7
85.02908	4.2
86.09223	0.3
86.09710	4.2
87.10084	0.2
88.03993	0.8
89.22787	0.2
94.04084	0.3
97.02896	4.8
98.97578	0.3
101.07133	0.2
102.05529	0.7
109.02821	0.2
110.07185	0.3
113.00021	13.0
115.03948	0.7
118.08646	0.5
119.03573	0.9
120.06578	0.6
127.03941	0.2
129.06572	0.3
129.10291	0.4
130.05040	0.2
132.10199	0.3
133.06107	0.3
136.06190	100.0
137.04596	0.8
137.06645	0.4
141.10220	0.2
142.12225	0.2
146.31178	0.2
148.06093	0.5
151.01569	1.2
156.10216	0.4
179.01031	1.7
181.06056	0.2
183.11252	0.3
185.05630	0.2
187.14420	1.7
188.09164	0.2
191.03903	0.3
200.04475	0.2
201.12344	1.7
201.14116	0.3
209.02028	0.2
215.13905	1.3
217.08284	0.2
219.01651	0.2
227.03172	2.4
229.11696	0.3
272.06546	0.6
281.07178	0.4
345.68338	0.2
362.08609	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	362.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
70.06579	5.1
70.28071	3.7
72.08144	5.6
75.73072	1.1
79.05485	3.6
80.75621	1.1
84.08128	1.9
86.09714	5.6
91.05472	11.5
93.06999	1.4
95.04997	1.1
97.69160	1.1
103.05474	9.6
104.06239	3.6
105.07013	4.6
105.39934	1.0
107.04960	9.1
113.92794	1.1
115.05450	2.6
116.07088	5.2
117.07024	1.4
118.04160	4.5
119.04906	5.7
120.08114	7.0
121.06491	3.0
123.04442	1.5
131.04039	2.1
131.04942	25.4
132.05711	35.7
133.02843	4.2
133.06491	5.3
135.04414	13.6
136.05206	1.7
137.05997	7.2
145.06480	2.6
147.04375	6.1
148.05174	5.0
149.02347	3.2
149.05943	6.1
151.07524	3.9
160.05188	18.5
161.06010	20.3
162.06656	1.2
163.03798	1.3
163.07547	6.6
164.04684	2.9
165.05495	13.9
165.06783	2.1
167.07089	9.7
171.06172	1.2
173.05986	4.9
176.04648	4.1
177.05470	19.3
179.07040	23.8
180.07811	40.6
181.08530	4.2
185.16461	2.0
191.07031	58.8
192.07813	100.0
193.08353	1.9
195.08096	1.8
205.08598	3.4
207.06375	1.4
213.15924	1.7
216.08781	1.8
223.07507	1.9
235.07509	1.9
237.09044	3.4
239.10661	2.5
252.26941	1.2
253.08385	1.4
263.07068	1.6
265.08594	3.2
267.10214	1.7
269.07755	1.4
271.13220	2.0
283.09619	3.6
295.09653	6.3
297.11060	2.4
315.12250	25.6
316.12686	1.3
327.12271	38.5
345.13330	88.5
346.13702	1.2
362.16016	18.6
385.14249	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0919
Annotation	Quercetagetin 6,3',4'-trimethyl ether
Peak:m/z	Relative Intensity
55.01864	0.6
57.03436	0.3
58.74660	0.4
67.05503	0.5
68.99794	4.0
70.75896	1.0
79.05483	0.4
81.07053	1.5
91.05457	0.8
93.07052	0.6
95.08602	0.9
99.00802	0.5
105.07027	1.1
107.04968	1.0
107.08620	0.5
108.16895	0.4
119.08604	0.6
120.06249	0.4
121.06545	0.4
121.84257	0.4
127.00272	0.4
133.02873	0.7
133.06511	1.1
135.04440	0.6
137.05988	0.7
139.00273	1.8
147.04402	1.1
147.11668	0.5
149.02351	1.4
150.03130	1.7
153.01839	1.6
159.07954	0.4
159.11667	0.5
161.05983	3.9
163.03931	3.6
164.04704	4.2
165.01855	0.7
165.05472	1.7
166.99796	2.8
167.98633	0.3
167.99112	0.5
168.00558	4.8
169.01312	0.7
177.05518	0.7
178.06258	7.7
179.06989	0.6
180.00609	0.6
181.01306	0.6
181.04961	0.4
182.02138	1.6
183.02939	3.8
185.00841	5.7
186.01614	2.7
186.03152	0.9
194.08118	0.5
198.01677	1.8
202.06239	0.6
204.04179	0.6
215.03375	0.8
226.06154	0.8
229.04915	0.9
230.05653	0.5
232.03796	0.8
240.04298	1.0
243.02870	1.1
254.05701	1.1
255.06612	0.8
257.04498	1.8
258.05179	2.3
268.03680	0.9
269.04456	0.7
271.02338	1.0
271.05783	0.6
282.05228	6.8
283.05954	0.5
285.03992	3.5
286.04727	2.8
298.04758	0.8
299.01868	1.8
299.05551	1.1
300.06271	0.6
301.07184	4.5
303.04813	2.1
310.04749	3.6
313.03421	2.7
314.04218	3.8
315.04990	0.7
316.02261	0.5
327.05170	1.9
328.05786	9.1
329.06409	2.4
331.04443	8.4
345.06067	0.8
346.06812	7.6
361.09207	100.0
362.09567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.3
55.86590	1.6
56.05035	6.0
56.96554	2.2
58.06592	2.6
60.04521	2.9
60.05660	3.0
61.01142	1.7
68.21673	1.5
69.03432	5.3
69.07073	7.0
70.02946	7.2
70.06599	34.4
70.91761	1.6
71.05006	1.6
71.50681	2.8
72.08155	22.3
73.08502	2.2
74.06082	12.0
82.06581	1.9
83.06120	8.3
84.04510	17.5
84.08143	34.0
85.02911	5.9
86.09710	100.0
87.05582	9.2
87.10046	4.7
88.03989	26.3
89.10851	1.6
91.05479	3.0
96.79480	1.4
97.02904	2.6
97.04012	1.9
98.02431	4.1
98.06097	1.8
98.97591	3.0
101.07162	2.4
101.10767	1.5
102.05560	11.7
104.05344	3.4
110.02412	4.2
110.07162	11.0
111.07481	2.0
112.08736	2.5
113.02393	6.8
115.05077	2.4
116.07102	4.4
120.06574	12.1
120.08118	6.5
124.03957	3.5
125.07124	3.8
127.03960	2.7
127.05045	2.7
127.08712	2.1
127.12383	1.9
129.06642	3.5
129.10243	28.4
130.05040	2.7
131.11879	1.6
133.06064	1.6
136.07571	2.3
137.06064	2.4
139.04999	2.2
140.07069	4.1
141.07462	2.3
141.10237	3.2
142.08647	3.1
143.04623	4.5
143.11824	1.7
145.05028	1.9
147.07654	14.5
148.06079	2.7
150.05649	1.9
151.03920	2.0
152.10738	2.5
153.10286	1.8
155.08408	1.9
158.09360	2.0
159.07834	2.0
159.09216	3.0
159.11287	2.3
163.03931	3.8
165.07097	5.0
166.08754	4.9
167.04536	1.7
168.06618	3.7
169.06786	5.3
170.35574	1.7
173.09232	2.3
175.11981	5.6
178.07756	1.6
179.08557	15.9
181.06503	2.8
181.09717	17.8
183.08046	22.8
183.11331	2.7
185.05641	6.0
185.16571	2.5
186.12462	2.0
186.16879	2.8
187.10860	5.1
187.14532	3.5
189.07048	2.5
191.08621	2.0
193.06384	2.8
194.07304	3.0
195.04111	3.7
195.08148	2.6
196.14415	7.2
197.06084	2.5
197.12935	4.6
199.10768	22.7
200.14015	5.6
201.12389	6.8
202.08383	2.5
207.08066	47.6
209.09749	5.0
210.09122	8.1
211.07516	13.8
212.06686	3.6
213.05078	3.0
213.16153	1.9
214.15735	3.4
215.13921	3.0
217.06604	6.1
219.08072	1.8
221.05864	8.3
223.07687	3.6
224.13809	2.2
225.09056	1.7
230.07703	13.6
230.11375	2.7
235.07545	76.4
237.09161	7.0
238.08727	3.1
239.07037	56.9
242.15080	4.5
242.18773	2.2
247.12988	2.6
252.10202	61.5
263.07007	8.1
280.09802	8.2
280.13049	5.3
281.08102	39.9
284.09250	5.1
297.12354	37.6
298.10773	62.4
298.13977	7.4
315.13379	13.5
326.10110	10.0
326.17093	3.7
337.44281	1.6
343.12936	63.3
343.20016	7.2
344.11322	4.3
344.14877	3.1
361.11020	3.9
361.14529	71.0
361.20587	7.2
361.24628	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	361.092
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01867	0.4
56.02645	0.2
66.01066	0.2
68.99797	4.9
70.09681	0.7
71.01360	0.3
71.91112	0.2
84.02114	0.5
87.79796	0.1
91.05486	0.3
92.99729	0.2
95.01279	0.2
98.11127	0.2
99.00813	0.5
103.05463	0.2
105.07040	0.3
107.04978	0.9
109.17955	0.2
112.01578	0.7
118.26612	0.2
119.04946	0.6
121.06501	0.4
124.01550	0.2
125.02391	0.2
127.00275	0.8
131.04968	0.9
132.05705	0.5
133.02867	0.9
133.06499	1.2
135.04448	0.4
137.05960	0.2
139.00270	2.2
140.01019	0.3
144.05698	0.5
147.04411	1.5
148.05193	0.5
149.02347	2.1
150.03143	1.6
151.07431	0.3
153.01831	2.1
154.02625	0.4
154.99747	0.3
155.03416	0.2
159.04440	0.3
161.06009	4.0
162.03133	0.2
163.03928	4.1
164.04704	4.7
165.01849	0.6
165.05504	2.4
166.99780	3.6
168.00566	6.3
168.02023	0.3
169.01343	1.5
169.06471	0.2
170.07304	0.2
171.04425	0.3
172.05231	0.5
177.05482	0.2
178.06259	8.3
179.03429	0.2
179.06961	0.3
180.00578	0.2
181.01338	0.7
182.02081	1.0
183.02901	4.2
183.04523	0.2
184.05342	0.3
185.00835	5.8
185.05885	0.4
186.01605	2.8
186.03125	0.3
187.03856	0.4
189.05408	0.4
194.08224	0.2
197.06027	0.4
198.01636	2.1
198.06709	0.3
200.04689	0.2
201.05467	0.4
202.06250	0.6
204.04239	0.4
204.15268	0.2
205.04866	0.2
212.04706	0.5
213.05424	0.5
215.03427	0.9
216.04137	0.3
225.05597	0.2
226.06242	0.7
227.07036	0.3
229.04918	1.2
230.05699	0.5
232.03706	1.4
239.03291	0.3
240.04201	1.5
241.04973	0.5
242.05771	0.5
243.03032	1.0
244.03770	0.2
245.04362	0.4
245.08035	0.3
245.12627	0.2
247.06154	0.4
253.05093	0.3
254.05725	1.3
255.02890	0.5
255.06496	0.4
256.45435	0.2
257.04514	2.1
258.05280	2.0
259.06116	0.3
260.03235	0.3
268.03726	0.9
269.04489	0.8
270.05246	0.5
271.02399	1.3
271.05859	0.3
272.06763	0.4
273.07599	0.7
275.05594	0.6
282.02130	0.4
282.05243	7.0
283.05920	0.3
285.03961	3.9
286.04706	3.3
287.05249	0.3
288.02859	0.3
297.03906	0.5
298.04755	0.7
299.01895	2.0
299.05499	0.8
300.02896	0.3
300.06262	1.1
301.03625	0.2
301.07071	4.8
302.04050	0.3
303.05002	2.2
309.03842	0.2
310.04739	4.3
311.05368	0.4
313.03430	3.8
314.04242	3.6
315.05179	0.8
316.02133	1.2
317.06534	0.4
327.05023	2.4
328.05795	10.1
329.06448	1.5
330.03821	0.2
331.04498	10.0
332.04907	0.2
345.06097	0.7
346.06851	6.5
361.09195	100.0
362.09564	1.8
375.62820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0919
Annotation	Dibefurin
Peak:m/z	Relative Intensity
52.23957	0.3
57.21525	0.3
68.99795	2.2
69.65184	2.2
89.48132	0.4
91.05554	0.5
98.20816	0.7
106.37595	0.3
118.04145	0.4
119.04974	0.9
122.09796	0.4
129.52580	0.4
133.02879	1.0
139.00214	0.8
146.03656	0.4
147.04401	2.8
149.02348	1.2
150.03149	0.7
153.01839	3.5
153.05444	0.4
160.05222	0.4
161.06021	0.5
162.03093	0.5
163.03909	5.1
164.04692	2.9
165.01892	0.8
165.05495	0.6
166.99796	2.0
167.03442	0.8
168.00584	2.2
169.01340	4.0
173.02373	0.5
177.05478	1.2
178.02663	0.8
178.06262	1.5
179.03429	1.2
179.07053	4.8
181.01405	0.6
182.02110	1.3
183.02898	4.8
183.04364	0.6
185.00826	3.3
186.01578	0.5
193.05011	1.2
206.02251	0.4
209.04478	0.4
215.03328	0.8
221.04634	0.5
222.13507	0.4
229.05013	1.3
232.03735	1.1
243.02869	1.2
254.05780	0.9
257.04425	2.2
258.05359	1.2
260.03104	0.7
267.02850	0.5
269.04303	0.4
271.02350	1.0
275.05408	0.6
282.05191	2.9
285.03903	4.8
286.04700	2.9
288.02689	0.6
295.02411	1.6
297.03995	1.1
299.01871	1.3
299.05560	1.2
300.02615	2.7
300.06302	1.6
301.07007	2.4
302.04294	0.7
303.05051	5.0
310.04810	3.4
313.03452	5.8
314.04114	1.8
315.05008	5.5
316.02090	1.3
317.06647	0.7
327.04846	0.6
328.05765	8.2
329.06540	0.9
331.04514	9.7
345.06073	1.2
346.06851	7.6
361.09195	100.0
362.09720	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0918
Annotation	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01864	0.5
62.05463	0.1
68.99793	3.9
69.03419	0.2
69.57488	0.8
71.01362	0.3
84.02121	0.2
91.05462	0.3
99.00806	0.9
105.07061	0.7
107.04976	0.8
112.01574	0.6
119.04951	0.5
121.06497	0.4
124.01609	0.2
125.02345	0.3
127.00266	0.6
128.19086	0.2
131.04921	0.9
132.05734	0.3
133.02843	1.1
133.06517	1.0
134.03629	0.2
135.04424	0.4
136.01570	0.2
137.06000	0.2
139.00264	1.9
140.01073	0.3
144.05699	0.4
146.03593	0.2
147.04413	0.9
148.05197	1.1
149.02364	1.8
149.05981	0.5
150.03123	1.3
151.07582	0.3
153.01817	1.7
154.02589	0.3
154.99747	1.2
159.04385	0.3
161.05978	4.1
162.03119	0.2
163.03906	3.1
164.04700	3.8
165.01862	0.5
165.05505	1.9
166.99768	3.2
167.03471	0.2
167.07060	0.1
168.00546	5.9
169.01344	1.4
169.06488	0.2
171.04277	0.2
172.05258	0.3
173.06007	0.2
175.03912	0.2
177.05420	0.2
178.06253	8.0
179.03412	0.2
179.07018	0.5
180.00572	0.9
181.01308	0.5
182.02106	1.2
182.99278	3.3
183.00903	0.2
183.01265	0.3
183.02888	4.3
183.04532	0.2
184.05167	0.3
185.00810	5.3
185.05995	0.3
186.01616	2.3
186.03114	0.2
187.03870	0.3
188.04558	0.2
189.05450	0.4
197.00861	0.5
197.05899	0.2
198.01611	3.8
198.06743	0.4
199.03813	0.2
200.03099	0.2
200.98698	0.2
201.00340	1.9
201.05440	0.4
202.06259	0.5
204.04179	0.6
205.04912	0.5
212.04713	0.5
213.03918	0.5
213.05640	0.4
215.01726	0.1
215.03441	0.7
216.02580	1.6
216.04222	0.2
217.05063	0.2
225.05507	0.3
226.06297	0.8
227.03354	0.3
227.06963	0.3
228.04167	0.1
229.04930	0.9
230.05708	0.7
232.03671	0.8
236.04529	0.1
239.03328	0.2
240.04204	1.6
241.04918	0.5
242.05698	0.4
243.02869	1.1
243.06557	0.2
245.04471	0.2
247.05986	0.4
253.05003	0.3
254.05777	1.5
255.02917	0.6
255.06442	0.5
257.04471	2.2
258.05240	2.4
259.06055	0.2
260.03152	0.4
267.02924	0.3
268.03555	0.7
269.04443	1.0
270.01593	0.2
270.05240	0.5
271.02405	1.5
271.05927	0.4
272.06818	0.3
273.07520	0.9
275.05478	0.6
281.04379	0.2
282.05234	6.8
283.05978	0.4
285.03952	3.3
286.04715	3.3
287.05389	0.3
296.02869	0.2
297.04071	0.4
298.04700	0.8
299.01874	1.6
299.05505	1.1
300.02979	0.3
300.06320	1.2
301.03586	0.2
301.07071	3.9
302.07416	0.2
303.04999	2.2
305.10233	0.4
309.03787	0.3
310.04697	4.6
311.05212	0.4
313.03412	3.7
314.04196	3.9
315.04974	0.8
315.08344	0.2
316.02090	1.0
317.06293	0.2
327.04980	2.3
328.05783	9.7
329.06558	1.4
330.03552	0.2
331.04471	10.8
333.09720	0.2
345.06027	0.6
346.06818	7.4
361.09174	100.0
362.09476	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01885	6.9
55.05513	43.3
57.03432	4.3
57.07081	5.2
67.05180	7.5
67.05510	93.4
69.03411	7.0
69.07068	45.8
69.78551	23.3
71.04997	100.0
73.06538	7.2
73.10204	4.0
79.05498	84.0
81.07059	68.0
83.04996	5.2
83.08630	34.7
84.97196	5.7
85.06552	6.2
87.08098	5.7
91.05487	49.4
93.06500	4.7
93.07052	90.9
93.10461	4.5
95.04986	8.8
95.08609	46.7
97.06537	22.1
97.10190	32.8
105.07046	32.7
107.08591	72.8
109.06517	6.2
109.10167	52.7
109.38230	4.5
111.08079	7.9
113.09648	5.1
117.07020	11.1
119.04952	6.6
119.08598	27.0
121.10152	92.8
123.08083	4.7
123.11710	9.6
125.09694	25.1
131.08624	7.1
133.10104	18.4
135.08025	7.0
135.11690	12.9
137.09575	5.5
143.16791	4.6
145.04881	4.5
145.10155	9.9
147.11688	11.9
149.09660	7.7
149.13286	8.6
151.07510	16.0
153.12755	55.9
153.13934	5.9
155.10675	24.7
159.11702	18.4
161.09660	4.0
161.13229	4.9
163.65137	4.0
164.88023	4.2
166.08621	5.3
171.10258	4.0
171.11728	4.6
173.11757	98.6
173.13181	5.4
179.14337	5.8
189.11235	33.4
194.08159	22.1
195.13837	12.1
213.14821	6.9
223.25356	4.8
227.16432	49.7
235.16934	8.6
247.20386	4.6
257.19058	8.4
275.20081	83.4
307.22797	11.4
321.00415	10.1
321.50552	4.9
361.09216	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84062	1.5
55.05515	12.6
57.03431	1.4
67.05513	21.7
68.68990	1.3
69.03424	1.6
69.06744	1.4
69.07078	11.9
70.05248	1.3
71.05005	22.2
71.52033	2.1
71.52445	1.6
72.82051	1.5
73.06562	2.2
75.50574	1.5
79.05505	26.5
81.07072	11.0
83.04986	1.4
83.08621	8.8
91.05490	12.3
93.07048	28.8
93.47218	1.4
95.04972	2.6
95.08604	13.9
97.06540	4.5
97.10185	10.4
98.97559	1.9
105.07011	6.4
107.08604	16.4
109.10155	16.8
111.08044	1.7
114.17210	1.5
117.07068	1.8
119.04927	3.8
119.08586	4.4
121.10165	24.0
125.09610	8.4
133.10138	4.4
135.11693	1.9
136.05042	1.5
137.05969	1.8
143.08647	1.4
145.10132	2.1
147.04405	1.4
147.11726	2.1
148.04723	2.0
149.02339	2.7
149.09647	2.3
151.07544	6.6
152.95323	1.4
153.12761	17.1
155.10634	5.4
163.03865	2.8
164.04602	3.5
165.05008	2.4
173.11754	36.9
173.13203	2.6
180.00511	3.5
181.01331	10.7
182.01709	7.2
189.11276	8.7
191.03372	2.3
194.08153	9.0
198.01524	1.7
199.01880	2.1
243.85185	1.8
257.03949	4.0
257.19028	2.0
270.04865	2.6
271.05634	3.0
275.20096	20.9
293.21152	2.6
298.04413	4.6
299.05164	6.1
300.05972	4.2
314.03757	4.2
316.05368	2.6
326.04013	3.0
327.04568	15.2
328.05426	2.5
330.03461	2.3
342.21268	2.0
345.05621	6.7
360.07977	100.0
360.22360	3.5
361.08621	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	360.2132
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
55.05511	2.8
56.05043	2.6
59.56464	0.5
61.01126	0.6
69.07071	5.7
69.83218	1.0
69.83614	1.2
70.06599	7.1
72.08162	36.3
74.06061	0.7
83.06107	1.5
84.04512	23.9
84.08149	3.6
85.02927	1.2
86.09711	100.0
87.10043	1.9
91.05488	0.8
97.06717	0.5
102.05552	11.6
102.06193	0.9
104.05323	0.8
110.07196	2.2
116.07097	5.4
118.08664	23.5
120.08138	2.2
124.11264	1.2
125.06005	0.6
129.06616	8.9
129.10257	1.6
132.10213	10.7
137.05984	1.0
138.09126	2.8
144.99245	0.6
145.02850	0.8
148.06206	0.6
151.03944	1.8
151.07529	0.7
152.10741	1.4
156.10257	1.6
163.03960	1.8
169.13351	2.8
170.11763	2.9
177.05487	0.8
183.11320	7.0
184.11696	0.6
185.16531	1.7
186.18614	0.5
197.12891	13.5
199.18088	14.9
201.12332	8.2
211.04225	0.6
211.10825	2.1
215.13925	22.6
217.13631	2.7
225.12352	5.3
227.17534	7.5
229.11888	2.8
231.17114	1.7
240.86722	0.6
243.13428	5.1
245.13318	1.1
247.12901	2.9
301.67245	0.6
324.19138	0.8
342.20575	0.6
342.22549	0.6
361.14795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Asp Ile Leu
Peak:m/z	Relative Intensity
55.05505	0.8
56.05038	0.6
65.98933	0.4
69.07069	9.1
70.02946	2.0
70.06583	2.8
70.08808	1.2
71.04999	0.4
72.08164	1.0
73.04060	0.6
74.06075	0.4
79.05474	0.5
84.08144	1.5
85.02917	0.6
85.04028	1.2
86.09708	70.3
87.10036	0.8
88.03992	12.8
91.05441	0.7
96.08138	5.1
97.02893	0.4
98.02428	2.8
98.97604	0.7
107.08604	0.8
108.08881	0.5
110.09667	1.9
113.10780	1.8
115.05022	1.1
117.03397	0.7
119.04946	0.4
120.08076	1.0
120.36584	0.4
122.71394	0.4
127.03881	0.4
129.10222	0.5
132.10202	5.5
133.06093	1.8
133.10077	0.8
137.05983	0.6
138.09125	1.8
141.10229	9.6
142.08643	2.0
145.02884	2.3
147.04405	0.6
149.06017	0.5
151.07527	0.5
155.11804	1.6
156.10207	18.3
163.03897	0.9
166.08653	1.3
167.07031	0.7
169.74147	0.4
177.05469	3.8
179.10593	0.4
180.10977	0.5
183.11272	4.8
184.09650	2.5
193.12170	0.4
197.11752	1.4
198.12059	1.9
201.12344	100.0
202.12758	0.6
216.19490	0.4
229.11850	21.2
245.18636	1.0
254.17389	0.4
297.79065	0.4
311.09100	0.9
324.21585	1.1
360.14484	0.8
360.20779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
55.05505	0.9
56.05032	0.4
56.20336	0.4
56.50785	0.3
56.96557	1.4
57.03410	0.5
58.19455	0.3
58.62549	0.3
59.31947	0.3
61.02928	0.5
69.03444	1.4
69.07066	2.0
69.31678	2.1
69.32090	0.8
70.02954	1.4
70.06589	3.3
71.04987	0.9
72.08158	2.4
73.02911	3.1
79.05489	0.4
81.03415	0.5
81.07076	0.7
84.04495	0.4
84.08147	2.4
85.02420	0.7
85.02905	4.0
85.04029	1.7
86.02440	0.7
86.09705	81.4
87.10054	0.5
88.03989	8.9
91.05470	1.3
95.05016	0.5
95.08652	0.5
96.04514	0.5
96.08118	3.1
97.02909	1.3
98.02427	3.8
98.97593	2.1
99.00808	0.5
100.03986	4.5
105.07023	1.1
107.08603	0.5
109.06574	0.5
110.02384	0.4
110.07113	0.5
110.09651	0.6
113.10743	2.6
113.71532	0.4
115.05067	0.6
116.98604	0.7
119.04937	0.7
120.08099	0.6
127.03938	0.8
128.98637	0.4
129.10229	0.8
131.00180	0.6
132.10197	8.1
133.02817	0.8
133.06442	0.5
133.10129	0.5
134.52348	0.4
137.05923	0.4
138.09140	5.1
141.01656	0.4
141.10228	11.0
142.08633	1.2
145.02824	0.5
145.04956	0.4
147.04424	0.5
147.08047	0.5
147.11697	0.5
149.01237	0.8
151.07530	0.5
155.11763	1.1
156.10185	10.5
166.08641	0.7
177.05437	0.9
183.11296	8.0
184.09660	3.8
187.12572	0.4
193.05009	0.4
193.12231	0.6
201.12340	100.0
202.12688	0.5
207.06476	0.5
226.06750	2.6
226.57004	0.5
229.11836	26.3
244.34952	0.4
245.18587	2.0
251.25462	0.4
254.17549	1.0
265.07489	0.8
272.09009	0.9
296.19830	0.8
307.03082	0.5
324.21640	1.0
342.10098	0.4
376.32364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05049	0.6
61.66061	0.4
67.05495	0.4
69.07068	11.0
69.19478	4.0
70.02957	1.8
70.06593	5.6
70.35418	0.4
72.08156	2.7
79.05512	0.6
82.35799	0.4
84.04454	0.6
84.08142	1.7
85.02882	0.5
85.04035	1.2
86.09708	100.0
87.10061	2.5
88.03992	10.9
88.04553	0.6
89.79478	0.4
91.05476	1.0
93.07034	1.0
94.13223	0.4
96.08134	4.4
98.02431	3.4
98.21581	0.8
104.55495	0.4
107.04982	0.5
107.08594	0.5
109.06476	0.4
110.02407	0.4
110.07137	0.7
110.09680	1.2
112.11295	0.7
113.10760	1.7
116.03440	0.5
117.03353	0.4
118.55327	0.4
120.08083	1.2
129.10246	0.9
130.06540	0.5
130.08664	1.1
132.10205	9.9
133.06085	1.6
136.07652	0.6
137.06000	1.1
138.06337	0.8
138.09171	2.5
141.10236	10.4
142.08650	1.3
143.11771	0.6
147.04396	0.7
149.05946	0.5
151.07527	1.7
155.11819	1.2
156.10211	14.9
161.05948	0.5
163.03955	0.7
166.08635	1.9
170.06122	0.5
177.05434	1.2
183.11293	5.9
184.09676	1.8
185.16626	0.6
187.10744	0.4
194.08131	1.3
197.11813	0.7
198.12041	1.7
200.13913	1.0
201.12347	82.3
202.12666	0.6
208.07295	0.6
211.10654	0.4
212.09238	1.0
229.11836	29.8
245.18622	1.0
247.12889	5.3
266.09033	0.5
276.49866	0.5
296.19525	0.5
312.13098	1.2
357.97018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01870	2.0
55.05513	6.5
56.23051	0.5
57.03438	0.8
57.07081	6.5
58.99576	2.0
64.32681	0.5
66.85701	0.5
67.05507	9.1
67.77921	0.5
69.07072	39.2
70.04935	2.6
70.06599	1.1
71.04983	2.8
72.08160	0.7
76.02239	3.9
79.05503	2.1
81.03420	1.8
81.07085	2.9
83.04984	0.7
83.08630	16.4
85.02899	1.3
85.06540	1.1
86.00658	1.1
86.09718	1.6
86.99049	1.0
87.04475	100.0
91.05490	5.3
93.07061	1.7
95.04991	1.9
95.08624	4.0
97.02897	0.7
97.06528	3.5
99.04468	0.9
103.05462	0.5
105.00105	2.6
105.07047	2.1
107.04990	1.3
107.08593	1.8
108.81812	0.6
109.06521	1.1
109.10146	6.5
111.08109	0.7
113.06021	6.1
115.03938	54.4
119.04974	2.4
119.08599	1.9
120.08006	0.7
121.06521	1.6
121.10168	0.7
122.02738	22.3
123.04377	0.6
123.08077	6.5
124.98458	0.6
125.05994	2.2
125.13281	4.3
126.12798	0.6
128.10727	1.0
131.08586	0.5
132.01141	1.9
133.02792	0.7
133.04976	2.8
133.06506	0.9
133.10092	0.7
135.08049	1.0
137.05977	1.6
137.09613	1.0
145.04976	0.8
147.08098	0.7
147.11763	0.9
149.06007	0.7
151.07564	7.6
151.11200	0.8
161.13321	1.5
167.07057	1.1
169.20775	0.6
177.05516	0.9
185.13309	1.1
187.07918	1.2
188.07101	1.0
193.15933	3.3
194.08115	5.8
200.03825	0.6
203.14388	1.5
208.81029	0.6
220.00374	0.7
221.15379	30.8
230.12140	8.3
233.15454	1.2
239.16435	25.2
277.71469	0.6
289.17874	1.0
307.19275	2.0
342.13605	0.7
360.14297	1.3
360.18292	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	360.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01867	0.6
55.05506	1.0
56.05028	0.9
58.06573	0.6
61.02931	0.5
63.82867	0.4
65.03939	1.5
67.05501	1.4
68.99773	0.6
69.07061	0.9
70.06584	2.0
71.52203	0.7
72.08147	3.1
73.04032	0.5
74.06075	1.8
77.03899	0.4
79.05489	1.3
81.03397	0.6
81.07073	0.9
84.04504	1.2
84.08138	1.8
85.02915	2.7
86.06011	0.6
86.09707	7.6
89.03899	2.6
91.05483	27.5
93.07054	1.4
95.04974	7.2
95.08569	0.5
95.87325	0.4
97.02882	0.6
98.97604	0.9
101.07154	1.0
103.05478	0.9
105.03426	0.6
105.07010	0.7
106.04182	0.4
106.06636	0.6
107.04971	1.8
107.08624	0.5
110.03614	0.6
110.07187	0.8
111.04464	0.5
117.03387	8.0
119.04945	23.7
120.08098	1.5
121.06512	1.0
121.10137	0.6
123.08054	1.1
125.05988	0.8
127.03962	1.1
129.10262	0.5
131.04916	0.7
133.02846	5.2
135.04417	1.8
136.05219	3.6
136.07555	0.5
137.05965	4.3
142.12280	0.7
145.02850	20.4
145.04803	1.1
146.11763	2.1
147.04430	1.0
149.06018	4.8
151.03928	40.6
151.07547	100.0
152.04697	2.4
161.02338	3.7
165.05498	0.9
165.91742	0.4
166.08803	0.6
167.07068	6.3
168.10211	6.9
175.03867	0.7
176.07117	1.7
177.05478	39.1
178.05820	0.7
179.05775	0.7
186.05569	0.5
187.14407	6.1
191.07104	0.6
193.04976	10.5
194.08133	54.4
207.06601	1.3
210.07648	0.6
215.13889	2.9
219.06508	4.8
236.09203	6.7
326.13675	0.5
332.71869	0.7
339.05658	0.6
341.72421	0.9
342.13403	2.0
350.72937	1.5
359.73441	11.7
360.14453	22.3
360.23566	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.5
64.74154	1.3
70.06593	3.3
71.02618	2.7
72.08157	6.0
86.09705	8.5
86.92306	1.3
87.10056	1.3
87.16229	1.3
89.03920	6.4
91.05498	2.6
98.20782	1.3
107.04935	1.9
114.01546	1.3
117.03383	25.6
120.08091	2.0
132.10249	2.0
134.03610	2.3
137.05959	3.5
145.02850	61.1
149.05980	7.2
151.03922	1.5
160.05226	1.8
175.07550	7.7
177.05473	100.0
178.05688	1.9
186.05594	1.5
201.12418	2.6
214.53262	1.7
218.08141	8.4
228.07149	1.2
229.11742	1.3
269.07761	2.1
270.51059	1.3
300.09543	1.5
330.10571	3.0
342.13327	4.7
360.13342	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.9
61.46323	0.8
65.03956	1.1
70.06596	7.9
71.25037	1.0
72.08144	3.5
73.07713	0.8
79.05480	1.2
84.08141	3.6
86.09696	9.2
89.03915	1.2
91.05481	24.7
95.04969	1.4
96.02546	0.9
104.09240	0.8
107.04989	1.3
110.07113	1.2
112.63355	1.0
119.04945	37.2
120.08142	1.1
120.82960	0.8
121.95298	0.8
129.10228	2.2
131.04903	1.7
133.02884	1.4
135.04437	1.9
136.05251	1.3
137.05983	2.5
145.02852	1.1
145.06482	4.7
146.11855	1.1
147.04411	29.3
149.02399	1.6
151.07532	9.7
151.22931	1.0
156.07559	1.0
157.03946	4.2
162.05510	1.3
163.03877	5.1
165.05621	1.1
167.07040	2.4
171.09233	1.1
175.03912	51.4
176.04541	1.3
177.05472	1.4
179.07057	2.3
185.16353	1.1
187.10736	1.1
188.06918	1.2
194.08185	8.6
207.06525	100.0
208.06859	1.4
251.06874	1.5
311.09134	3.5
319.64584	0.9
342.13315	10.9
343.11752	2.8
360.13498	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	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66569	0.8
55.05502	1.8
56.05035	1.8
58.67319	0.8
59.33936	0.9
60.04517	1.3
61.01146	1.3
62.21827	1.0
68.03459	1.0
69.03432	1.2
69.49660	1.9
69.50066	4.8
69.85881	0.9
70.06595	100.0
71.06910	1.4
72.08157	14.8
74.06112	1.1
81.03448	0.9
84.04494	4.6
84.08156	8.9
85.02904	2.8
86.09709	17.8
87.10045	2.8
88.04002	1.2
89.03935	4.8
91.05486	1.4
93.90694	1.0
95.05033	1.1
98.06065	3.6
98.97559	1.2
102.05516	2.3
103.05477	2.2
104.05305	2.1
107.08517	0.9
110.07139	2.5
112.11227	5.9
116.07100	9.9
117.03385	8.4
119.04979	1.3
120.08105	16.7
123.04440	3.3
126.05543	1.3
129.10236	2.0
129.13881	3.7
131.04919	2.3
132.10248	2.8
132.89165	0.8
135.04425	3.2
135.08092	1.0
136.07611	1.1
137.05971	3.1
143.11798	1.3
145.02863	16.9
147.04436	0.9
149.05965	3.4
151.03879	1.1
151.07596	1.4
155.11821	1.3
161.05995	1.0
161.57991	0.9
163.03925	15.6
163.07588	2.8
164.04228	0.9
165.05470	1.1
175.07477	2.2
177.05482	26.7
183.11243	1.0
183.14902	1.2
190.12700	1.2
198.11937	1.2
201.12350	3.2
207.06529	3.3
208.07326	2.0
213.12323	14.3
217.13358	9.0
218.08107	2.6
221.11723	1.9
229.11890	3.5
243.13350	1.5
245.12857	10.2
247.11150	1.9
263.13931	11.5
342.13589	2.6
360.14935	1.7
360.19138	15.5
361.12650	1.0
375.07401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10064	0.7
65.03937	1.8
67.05493	0.8
69.84674	1.7
69.85088	1.9
79.05493	2.1
79.64516	0.7
81.07059	0.8
83.04961	0.9
91.05486	35.8
93.07075	1.1
95.04980	7.9
103.04090	0.7
107.04959	6.0
117.44733	0.6
119.04945	28.8
121.06507	4.4
123.04413	1.6
123.08048	1.5
124.05284	0.7
133.02853	7.5
135.04430	6.6
136.05183	3.7
137.06015	7.3
149.05989	5.8
151.07553	83.5
152.04665	6.6
165.05472	3.3
166.08621	0.8
167.07053	10.7
168.10178	0.9
176.07112	4.8
177.05452	1.7
178.72087	0.6
179.05772	0.8
194.08136	100.0
195.08430	1.0
196.09724	1.0
301.02768	0.8
342.06815	1.4
360.14410	8.3
361.09064	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
67.24167	1.2
70.19441	5.3
82.39954	1.4
86.09690	1.4
89.03927	6.4
117.03381	22.7
134.03603	1.5
145.02852	64.4
149.05998	8.2
151.03793	1.6
175.07553	5.9
177.05478	100.0
200.14925	1.7
202.04881	1.6
218.08128	10.7
241.48834	1.2
342.13376	6.8
342.17004	1.4
350.37469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01867	8.1
55.05313	1.4
55.05512	15.5
57.03426	5.7
57.07060	4.1
58.73381	1.5
59.04980	2.3
60.69643	1.4
61.02924	3.6
65.03934	2.3
67.05511	18.8
68.99776	3.6
69.03094	3.0
69.03436	44.8
69.07072	100.0
70.06593	4.7
71.01347	2.5
71.04988	8.8
71.51996	1.7
71.52400	2.6
72.08117	3.1
79.05486	12.7
81.03415	18.8
81.07056	25.9
83.04972	7.8
83.08611	6.2
84.04529	3.0
84.08152	2.9
84.77254	1.7
85.02915	21.1
85.06548	24.4
86.00677	2.5
86.09702	5.5
87.00816	10.8
87.04460	1.9
91.05482	18.4
93.07046	25.4
95.04971	10.4
95.08612	17.9
97.02886	10.6
97.06527	8.8
97.10111	2.2
98.97597	3.6
99.04449	6.7
99.08050	4.2
103.03949	2.9
103.05463	3.7
105.01875	4.4
105.07055	17.1
107.04943	7.8
107.08598	24.0
109.02907	8.6
109.06541	11.4
109.10140	14.4
111.04447	7.5
111.08085	26.0
111.11727	9.2
115.03936	7.6
115.05477	2.3
117.07009	6.1
119.04920	4.3
119.08588	15.4
121.06509	14.8
121.10142	10.0
123.04412	3.1
123.08073	5.9
123.11693	10.3
125.05978	3.1
125.09609	4.5
127.03906	10.1
127.11188	7.7
128.06261	2.3
129.01820	2.6
129.05493	2.8
131.04901	5.6
131.08594	9.5
132.01160	4.2
133.06467	3.6
133.10152	11.8
135.08034	9.3
135.11681	11.4
137.05984	20.6
137.09601	13.3
137.13312	2.0
139.03879	2.0
139.07542	13.3
139.11183	10.9
141.06935	2.0
141.12730	10.4
143.08553	6.4
145.04948	2.7
145.10136	8.3
147.02888	2.2
147.04370	2.5
147.08069	2.7
147.11681	7.9
149.05975	2.3
149.09608	6.7
151.03929	2.7
151.07550	6.3
151.11162	7.8
152.04855	2.0
153.09033	2.2
153.12717	5.5
159.02850	4.0
159.08058	2.4
159.11719	9.3
161.06018	3.6
161.08514	1.8
161.09589	10.9
161.13235	2.1
163.07594	4.3
163.11172	12.7
165.09082	2.5
165.12764	5.0
165.78098	1.7
167.07011	5.0
169.12260	6.6
171.02890	2.5
173.09599	1.9
173.13258	4.4
175.07596	2.3
175.11226	6.9
177.09123	3.1
177.12767	11.8
179.10680	16.1
182.87822	2.1
183.11713	3.1
183.13831	2.0
187.07709	2.1
189.03926	5.0
189.12804	3.0
191.08919	2.1
191.14314	3.2
194.08159	5.6
195.10184	2.0
195.13814	8.2
197.11838	8.6
201.03935	4.2
201.12740	7.6
219.13840	18.5
219.71268	2.0
230.12140	10.9
231.04933	1.9
237.14857	17.0
255.15799	3.2
279.15976	2.7
297.17044	14.4
300.12796	2.2
305.13849	2.8
323.14960	46.8
341.16293	10.2
359.11084	2.3
359.17111	4.9
359.22211	1.9
359.72473	6.5
360.18372	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	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01858	1.7
55.05495	1.6
56.05019	1.0
57.03426	1.6
59.05012	0.7
61.02915	2.0
65.03956	0.6
66.94978	0.6
67.05502	1.5
68.56010	0.5
69.03087	0.6
69.03431	6.6
69.07053	1.5
70.06598	8.5
71.05009	0.8
72.08158	4.9
73.02943	1.0
74.06105	0.7
79.05499	1.3
79.75970	0.5
81.03420	2.8
81.07043	1.7
83.06129	0.6
84.04509	1.4
84.08139	3.8
85.02912	22.6
86.09710	16.0
87.04443	1.0
91.05485	4.9
93.07039	6.5
95.04972	2.4
95.08588	0.8
97.02898	5.6
98.20728	1.7
99.04411	0.6
103.05471	1.7
105.07027	6.2
107.04961	0.7
107.08601	17.2
107.41905	0.5
109.02881	1.7
109.06530	1.4
109.10187	1.5
110.07195	0.8
111.04385	0.5
116.07137	0.5
119.04962	1.2
119.08563	2.8
120.08096	2.0
121.06489	2.6
123.11728	0.8
125.43178	0.5
126.97882	0.6
127.03931	4.2
127.08677	1.0
129.10263	2.3
131.04924	2.8
132.10167	1.6
133.10138	20.3
135.10701	1.1
135.11702	17.5
136.07544	0.9
137.05994	5.1
137.09599	1.5
140.64816	0.6
141.10194	1.0
142.98796	0.7
143.11806	0.9
145.02844	1.4
145.04944	2.0
149.05956	1.0
151.11171	2.6
155.08055	0.6
159.09305	0.7
161.05977	0.8
161.09641	10.6
163.03922	0.9
163.07468	0.6
166.08543	0.9
167.07033	1.4
170.05972	0.9
171.11316	0.9
177.05508	2.2
177.09148	0.8
179.10689	33.5
189.12340	1.2
193.08557	0.7
197.11746	100.0
198.12157	1.3
200.14095	0.6
205.08682	0.7
228.13464	2.8
229.15459	0.8
246.14549	1.6
329.09897	0.7
341.13718	1.1
359.12137	1.2
359.16812	1.5
367.13672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01860	1.1
55.05515	0.6
56.96563	0.8
57.03431	0.8
61.02914	1.6
67.05502	1.3
69.03430	3.6
69.07072	3.1
69.24932	0.9
69.25336	3.2
70.02943	1.2
70.06585	4.5
71.01189	0.4
71.04985	1.5
72.08143	3.0
73.02901	0.6
75.05597	1.0
79.05507	2.7
81.03418	1.2
81.07050	2.6
84.04497	0.8
84.08130	2.2
85.02914	8.2
86.09711	52.5
87.04480	0.8
87.05585	3.6
88.03990	1.8
91.05490	4.8
93.07062	6.8
95.04977	0.8
95.08597	1.7
96.08131	1.4
97.02892	2.2
97.06542	0.7
98.02453	2.5
98.20796	0.8
98.97587	0.8
99.04439	0.7
99.05586	0.5
103.05474	0.8
105.07025	5.6
107.04951	1.2
107.08603	27.7
109.02894	0.8
109.06522	1.1
109.10169	1.5
110.02413	1.4
110.07137	0.8
112.11250	0.8
113.10770	2.1
119.04936	1.2
119.08591	4.7
120.08112	0.7
121.06511	3.7
121.10148	4.1
123.08073	0.9
123.11735	1.1
124.03951	0.7
127.03912	1.6
129.05499	0.5
129.10213	0.8
130.06512	1.1
130.08629	0.6
131.04881	0.7
131.08539	0.7
132.10219	4.5
133.02922	0.8
133.06514	0.7
133.09134	0.8
133.10136	16.7
135.04416	0.5
137.05977	5.8
137.09598	0.7
138.06371	0.6
138.09137	4.1
139.07526	1.5
141.10228	6.0
143.08559	1.0
143.11807	8.0
145.02867	0.9
145.04955	0.9
146.11876	0.5
147.04425	1.0
149.05960	1.4
149.09631	3.6
151.03926	1.8
151.07530	1.6
151.11189	6.6
155.11813	7.5
161.06007	0.8
161.09627	5.5
163.03983	0.7
163.07500	0.5
165.05498	0.5
166.08687	2.7
167.07053	1.5
167.09160	1.0
167.10675	11.7
167.12115	0.6
171.11284	2.1
172.03975	0.7
175.07596	0.5
177.05438	1.8
177.09090	0.8
178.05879	0.6
179.10684	13.9
183.11310	5.8
187.07634	0.6
189.12376	3.1
191.08565	0.6
197.11745	100.0
198.11998	0.6
200.13954	29.6
201.12408	3.6
203.13753	0.6
204.06708	0.6
206.07123	1.1
209.55609	0.5
211.10898	0.8
219.07961	0.7
228.13434	9.1
229.11864	0.9
245.18526	1.1
247.07742	0.5
251.10634	0.5
259.07587	0.9
265.08456	0.5
279.10178	0.5
279.17087	0.8
283.16498	0.8
291.10315	0.5
297.11264	0.6
311.12509	0.7
325.17410	1.0
341.13895	0.9
341.21945	1.9
359.11319	0.5
359.16699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.58795	0.6
51.10183	0.5
53.03952	1.0
55.01873	1.0
55.05507	1.6
57.03428	0.9
61.02904	1.7
67.05499	1.4
69.03423	3.7
69.07076	4.5
70.02959	1.2
70.06595	4.8
71.04984	1.3
71.51237	0.9
71.89189	0.6
72.04475	0.6
72.08158	3.5
75.05587	1.0
79.05479	2.6
81.03404	1.9
81.07053	2.2
83.04973	0.7
84.04468	0.9
84.08150	3.2
85.02910	9.9
86.09708	59.2
87.04477	1.2
87.05596	3.3
88.03987	2.0
91.05489	5.0
93.07059	6.1
95.04986	0.7
95.08591	1.8
96.08125	2.2
97.02904	3.0
97.06518	1.2
98.02406	2.4
98.97569	0.7
99.05566	1.1
103.05475	0.6
105.07037	7.3
107.04943	1.5
107.08595	30.3
108.87696	0.6
109.02853	1.3
109.06505	1.5
109.10168	1.6
110.02383	2.8
110.07174	0.7
110.09624	0.7
111.04513	0.7
112.11247	1.4
113.10765	2.6
115.08669	0.6
116.07111	0.9
119.04968	1.3
119.08579	4.5
120.08092	1.7
121.06522	3.4
121.10155	5.5
123.08060	1.2
123.11699	1.1
124.03923	0.7
127.03922	2.1
129.10237	1.6
130.05070	0.7
130.06516	1.2
130.08627	1.2
131.04906	0.7
131.08524	0.9
132.10185	3.9
133.02901	0.9
133.06497	1.0
133.10133	18.0
135.08047	0.6
135.11668	0.7
136.07622	0.9
137.05983	5.6
137.09608	1.0
138.09167	3.8
139.07538	1.4
141.10242	6.0
143.08557	1.0
143.10750	1.0
143.11794	9.6
145.04918	1.2
146.07204	0.6
149.05956	1.8
149.09662	3.7
150.06583	0.8
151.03905	2.2
151.07556	2.4
151.11171	6.9
153.05374	0.7
155.11777	8.3
161.06029	1.2
161.09634	6.1
163.03862	1.2
163.07384	0.6
165.05428	0.7
166.08644	2.4
167.07059	1.8
167.10677	12.8
171.09943	0.8
171.11296	4.3
172.03819	0.6
175.05986	0.7
177.05460	1.9
179.10686	16.2
183.11299	7.5
189.12360	5.8
193.06970	0.7
193.08559	0.7
197.11739	100.0
198.12073	0.6
200.13947	34.8
201.12315	3.1
205.06805	1.5
206.07149	1.4
219.08099	0.8
228.13435	13.0
229.11801	1.5
245.18567	1.4
255.17030	0.8
265.08670	0.6
283.16513	0.8
309.07068	0.5
311.12720	0.8
325.17664	2.0
333.66608	0.6
341.21899	2.1
355.92035	0.6
359.10873	0.8
359.16739	1.1
362.82602	0.6
372.57043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
53.03933	2.4
55.01875	15.5
55.05504	5.6
55.98115	1.3
56.05054	3.1
56.96551	2.1
57.07062	2.3
59.01165	1.4
60.04515	2.2
62.75253	1.3
65.03924	2.6
67.05493	4.0
69.03426	4.2
69.07057	6.3
69.89659	2.4
69.90061	5.1
70.06595	30.1
71.04991	3.5
71.06911	2.6
72.08156	32.2
79.05483	6.2
81.03387	1.7
81.07050	5.9
84.04498	4.9
84.08142	19.7
85.02894	5.2
86.09705	85.5
87.05586	1.8
87.10028	19.2
91.05473	17.9
93.03371	1.5
93.07028	5.9
94.04188	2.6
95.04971	5.0
95.08610	2.3
97.02883	2.9
97.06516	15.7
98.21474	1.9
98.97570	3.1
102.05544	2.1
103.05465	41.9
105.03425	2.0
105.07028	9.1
107.04960	6.7
107.08577	3.9
108.02068	2.1
109.02870	2.0
109.06534	4.9
110.07145	8.0
111.04422	2.4
115.05455	3.2
116.98614	1.6
117.03403	2.0
117.07016	4.8
119.04931	31.2
119.08576	1.9
120.08083	5.2
121.02914	1.6
121.06509	5.4
121.10150	2.4
122.03677	7.2
123.04420	2.0
128.06207	1.7
129.06963	5.1
129.10243	10.4
131.04926	66.8
131.08507	2.8
132.05682	2.2
132.10213	2.5
133.02847	1.9
133.06468	4.5
135.04456	2.5
136.05107	1.4
136.07620	3.3
137.05978	100.0
140.08133	1.4
141.05414	1.9
143.08528	2.0
145.02827	4.5
145.06454	4.7
146.03226	3.0
146.11746	6.5
147.04401	31.5
147.07919	1.6
149.05945	8.5
149.09653	2.8
151.03912	65.0
151.05029	6.2
151.07515	6.8
153.05466	4.2
156.07637	2.3
157.06473	3.1
159.08011	1.7
160.05179	4.6
161.05983	19.4
162.06740	5.1
163.03885	3.8
163.07547	23.2
165.05493	2.3
165.06850	1.9
167.07033	6.4
167.08499	1.3
169.09866	1.9
173.05986	2.7
174.06778	1.9
175.07542	21.8
177.05482	9.2
177.06870	1.6
177.09047	2.8
178.05840	4.2
179.07039	45.7
179.08441	1.5
181.06540	1.6
182.07251	1.7
185.05858	1.4
185.16528	2.4
186.12367	3.3
187.07555	13.1
187.10840	2.4
189.05453	1.5
189.09128	4.9
191.07016	1.9
191.08594	2.2
193.08649	4.9
197.11702	2.5
197.15460	1.8
199.18073	11.2
200.18414	12.8
203.08519	2.2
205.06819	2.1
205.08585	8.4
206.07045	1.5
214.11800	1.7
217.08589	3.8
219.08105	4.6
227.17580	4.2
228.17908	6.6
231.08011	2.6
235.07507	2.1
235.09679	4.7
237.09140	2.7
242.04402	1.5
246.18996	1.8
247.07617	3.0
248.08261	2.3
249.09029	1.5
251.10786	2.5
263.07324	1.6
263.10480	3.2
265.08487	2.3
269.08191	1.8
270.11594	2.1
271.11942	5.9
279.10120	5.8
281.08157	1.8
291.10193	5.6
297.11133	2.0
299.09161	2.4
309.11340	1.6
311.12708	6.4
313.12805	1.8
323.12708	4.0
327.08582	2.8
341.10150	2.4
341.13809	7.4
359.15054	19.9
376.20770	2.4
376.70712	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0763
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
62.06092	2.0
62.09922	0.3
67.05501	0.8
68.99789	0.7
79.05515	0.4
81.07049	0.6
91.05481	0.9
93.07054	0.4
94.04205	0.3
98.20799	0.7
107.08615	0.5
112.01545	0.4
118.04190	0.6
119.04929	1.0
121.10216	0.3
124.01543	0.4
137.05954	0.7
138.03084	0.6
146.03632	0.7
147.04396	3.9
149.02348	1.8
150.03062	0.3
151.03908	1.5
153.01842	3.9
154.02594	1.3
163.03899	2.4
164.04689	7.3
166.02588	0.5
171.04321	0.4
177.01866	0.5
177.05682	0.4
178.02614	0.5
180.00554	7.2
181.01326	15.9
184.05191	0.5
191.03445	4.2
198.01616	3.5
198.03148	0.6
199.03967	0.6
200.04613	0.6
207.02873	1.1
212.04752	0.4
213.05475	0.8
216.04184	0.5
217.05064	0.4
219.02878	1.4
228.04163	0.6
241.04930	2.3
242.05627	0.6
244.03654	2.1
245.04506	1.9
253.04912	0.5
255.02852	0.6
256.03665	3.9
267.02835	0.5
268.03699	1.2
269.04425	2.0
270.05231	4.6
271.05988	0.7
273.03891	0.9
280.03571	0.6
281.04468	0.8
283.02383	0.9
284.03122	2.8
296.03116	0.5
297.03915	2.3
298.04709	6.7
299.05450	4.9
301.03485	1.3
309.03915	0.6
311.01929	0.7
312.02560	1.5
313.03439	3.2
314.04318	0.5
315.04947	1.7
322.27393	0.9
325.03384	1.1
326.04196	16.0
327.04922	2.6
329.02921	3.2
329.06561	0.5
340.28702	0.4
341.05853	0.6
341.20871	0.5
343.04626	1.7
344.05267	7.3
353.36047	0.4
359.07614	100.0
359.21881	1.9
360.07990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1129
Annotation	3'-Hydroxy-7,8,4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
50.15028	0.4
67.05489	0.5
68.95036	0.4
68.99768	0.5
69.03410	0.9
71.51320	0.5
71.51671	0.7
91.05472	0.4
95.08617	0.6
98.20700	0.5
98.34963	0.4
103.05490	0.7
105.07025	0.6
107.08636	0.8
108.02082	0.4
109.02911	0.5
111.80409	0.4
119.04900	0.6
122.03664	1.0
124.43214	0.4
125.02345	1.2
129.32602	0.4
130.80286	0.4
131.04912	1.0
133.10132	0.5
136.01613	0.7
137.02374	0.5
137.05998	3.1
137.80164	0.4
139.03830	0.6
148.05176	0.7
149.02405	0.6
149.06007	1.3
150.03165	0.8
151.03900	0.8
153.01837	4.9
161.05968	1.7
162.06816	1.1
163.03902	0.5
163.07530	0.8
165.01822	0.7
167.03412	0.8
167.07037	0.8
178.02591	0.6
179.03441	0.7
180.04253	0.8
181.01328	1.2
181.06413	0.5
182.02162	0.6
183.02953	4.5
193.04958	1.3
194.02264	0.5
195.02873	0.6
196.03693	2.0
197.04506	1.1
199.02405	7.0
200.03183	1.2
209.05933	0.5
212.03139	1.2
214.04738	0.7
227.07059	0.7
239.07138	0.9
241.08665	0.7
246.86063	0.4
252.07802	1.0
253.05078	0.7
255.06622	1.4
265.04889	0.8
267.06616	0.7
268.03732	0.4
269.04565	0.6
269.08017	0.7
270.08759	1.0
279.06561	1.1
280.07416	1.2
282.05252	0.7
283.05936	3.2
286.04974	0.5
295.06033	1.2
296.06976	0.6
297.07587	6.4
298.04709	2.7
298.08365	3.6
301.07037	1.6
308.06659	2.1
310.05002	0.9
311.05530	10.0
313.07050	11.7
313.10651	0.7
314.07767	0.8
315.08624	0.7
325.07059	3.0
326.07843	9.2
327.08466	1.0
328.05710	0.6
329.06589	8.8
343.08060	1.6
344.08957	5.2
359.11267	100.0
360.11646	1.9
377.13626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.5
56.96547	26.8
57.03446	21.2
67.05489	75.9
69.07047	55.9
70.93270	30.2
70.93614	32.9
74.41372	19.1
75.88719	18.0
79.05492	54.2
81.07050	58.9
91.05483	35.9
93.07046	39.6
95.04980	25.5
95.08604	33.2
97.06536	100.0
98.97570	31.6
104.73685	17.3
105.07066	27.0
107.08566	24.6
119.08586	24.1
130.72478	19.2
133.10149	24.4
135.08049	28.8
137.05952	36.7
166.60097	23.2
193.05048	19.7
221.10176	20.3
228.53006	22.6
313.14667	23.0
335.20566	44.4
358.20840	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	358.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18857	16.1
55.05509	22.0
56.65891	16.1
56.96561	18.5
63.26853	14.0
67.05508	30.2
69.07076	19.6
69.59148	24.7
69.59536	100.0
69.77049	17.3
72.00563	16.3
72.63649	20.0
79.05510	25.9
81.07047	28.5
83.08627	18.2
87.22482	18.7
91.05452	16.9
95.04974	18.0
95.08611	24.5
98.21492	39.1
98.97573	43.1
99.88490	16.9
102.09146	15.7
102.54913	18.2
105.07023	19.0
107.08604	17.5
109.06499	21.3
119.08566	21.0
120.58817	17.7
132.21851	17.1
137.05971	22.5
138.28586	16.5
169.92278	16.6
177.44270	20.4
204.76495	18.4
213.02003	17.4
224.73430	18.2
324.92386	16.1
335.20645	62.6
346.96793	17.6
353.21487	27.2
357.65842	40.5
358.16348	32.6
358.20041	32.5
358.23492	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05005	0.2
52.66013	0.2
55.16668	0.2
55.78768	0.2
65.03924	0.5
67.05496	0.3
69.17572	0.2
70.09509	0.5
70.09884	0.6
72.38897	0.2
79.05481	1.1
84.08124	0.3
89.03931	1.0
91.05479	5.9
93.06998	0.3
95.04962	1.0
103.05486	1.6
105.03373	0.7
105.07038	1.9
106.06602	0.2
107.04951	0.4
117.03374	3.6
118.04180	0.7
119.04947	5.2
120.05756	1.2
121.06515	0.6
131.04915	0.4
132.04683	0.4
132.05708	3.0
133.02872	2.3
133.06502	1.7
134.05997	0.4
135.04413	0.3
135.08064	0.5
136.05177	0.7
137.05992	1.1
145.02850	7.8
146.03638	0.3
147.04417	1.1
148.04045	0.3
148.05188	7.1
149.05978	1.3
150.06738	0.6
151.07558	4.9
151.08771	0.2
160.05179	2.2
161.05997	0.4
163.07550	17.0
165.05515	0.4
165.09128	0.8
166.08636	1.1
170.68723	0.2
176.04707	2.0
177.05479	13.9
186.05498	0.3
191.07031	100.0
192.07492	0.6
204.06587	0.3
220.05911	0.2
358.16595	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91103	0.4
55.01870	0.9
55.05505	0.9
56.05031	2.2
56.96571	0.4
60.04519	0.7
69.03417	1.1
69.07063	1.6
69.77155	2.3
70.06597	59.2
71.06933	1.1
72.04527	0.8
72.08157	6.9
74.06067	0.9
81.03438	0.8
83.06089	1.5
84.04511	24.6
84.08149	5.2
85.02926	2.3
85.04826	0.6
86.09713	46.8
87.10043	0.6
88.03996	1.0
91.05483	0.8
96.04503	1.2
102.05549	13.7
103.03972	0.7
110.06071	0.8
110.07166	1.9
110.09678	1.0
113.07077	1.0
116.07099	100.0
117.07439	0.7
120.08118	0.9
121.06534	0.5
124.11261	0.7
127.03966	0.6
128.10725	3.6
129.06621	4.9
129.10229	2.6
130.05011	0.6
132.10239	2.0
137.05995	1.3
138.05472	1.0
138.09154	1.5
139.12254	0.6
141.06604	2.5
145.02837	0.7
146.50958	0.5
147.04509	0.8
149.06073	0.6
150.05833	0.5
152.10715	2.0
153.05550	0.5
157.13390	0.7
158.11772	1.9
163.03926	0.8
166.05061	0.8
166.08618	3.2
167.11801	0.5
169.13365	0.5
170.11772	3.0
173.09271	1.8
177.05333	0.5
182.12897	0.8
183.11322	0.6
183.14986	1.4
189.12340	0.5
195.11351	1.4
197.12871	12.1
199.10754	1.1
209.09288	0.6
211.14413	0.5
215.13925	29.6
223.41829	0.5
225.12360	5.8
225.14362	0.6
227.10234	2.5
228.13448	0.6
229.15520	0.7
243.13428	10.7
245.11305	0.6
261.14453	0.6
280.06805	1.2
281.62994	0.4
310.17767	0.5
328.18774	1.0
340.18710	1.5
341.21866	0.7
346.08667	0.7
358.13263	0.9
358.19736	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2702
Annotation	Leucyl-leucyl-norleucine
Peak:m/z	Relative Intensity
53.15776	0.3
55.01867	0.3
55.05510	0.4
56.05040	0.5
56.61489	0.3
56.96558	0.3
67.05494	0.3
69.07077	6.8
69.75326	1.4
70.06596	3.6
72.08152	3.4
74.00673	1.6
79.05489	0.9
81.07076	0.5
84.04507	1.2
84.08149	2.9
85.02908	0.5
86.09712	100.0
87.10035	0.6
87.76138	0.3
88.03998	0.4
89.03913	0.4
91.05479	1.6
91.23957	0.3
93.07053	0.9
95.04996	0.7
95.08618	0.5
98.20893	0.6
103.05465	1.7
105.07037	1.1
107.04977	0.6
107.08593	1.0
109.10201	0.3
110.07172	0.7
115.05507	0.5
117.03388	1.7
117.07032	0.6
119.04967	1.0
119.08605	0.8
120.08088	0.8
121.06503	1.0
121.10176	1.3
129.10254	1.7
130.05045	0.5
130.06581	0.3
131.04932	3.1
131.08539	0.7
132.04495	0.4
132.10249	1.6
133.02881	0.6
133.06461	0.3
135.04404	0.3
135.08124	0.3
136.07574	0.3
137.05984	3.8
138.06386	0.5
140.48936	0.3
141.99541	0.3
144.04439	0.4
145.02859	2.7
145.10147	1.2
147.04404	0.7
147.11736	0.4
149.05997	1.2
149.09622	1.2
151.03937	0.8
151.07549	0.5
155.35944	0.3
159.08014	0.4
161.05962	0.7
162.05533	0.4
163.05780	0.5
163.07603	0.9
166.08696	0.8
172.03967	0.9
173.04335	1.5
175.07611	0.7
177.05511	6.2
177.09077	2.8
178.05959	0.4
179.07034	0.3
179.10690	0.3
181.06636	0.3
186.05518	0.3
187.07652	0.5
190.08737	0.4
191.05487	0.4
191.35472	0.3
199.18071	31.7
200.18509	0.6
204.06511	2.2
205.06906	1.4
205.08607	0.5
219.07800	0.3
227.17538	15.4
228.18149	0.3
245.18578	3.1
252.10564	0.9
253.08461	0.5
258.18643	0.3
270.11597	8.3
280.09824	0.9
299.09406	1.4
312.12671	2.3
316.12180	2.6
326.10861	0.4
328.12769	0.4
340.12213	1.4
358.13168	2.9
358.16623	0.3
358.20453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03949	5.5
55.05270	4.9
55.05511	56.1
57.03430	15.9
57.07075	47.5
67.05505	72.8
69.07069	94.3
70.23251	11.6
71.05004	5.1
71.08631	26.9
75.04469	3.3
78.99070	2.7
79.05498	42.1
81.06591	6.0
81.07053	88.1
83.04981	3.6
83.08615	64.6
83.09367	2.8
85.06548	4.5
85.10177	13.6
90.05555	3.3
90.90197	3.4
91.05478	4.7
93.07043	44.7
95.08604	82.3
97.06507	23.0
97.10168	47.3
103.03901	2.8
107.08596	37.7
109.10158	40.0
111.08089	8.6
111.11725	15.4
116.58096	2.5
120.49873	3.0
121.10143	77.6
123.11702	16.0
125.09624	6.8
135.11699	69.0
137.13242	9.8
139.11154	7.6
149.13251	25.9
150.29984	3.0
151.14828	12.0
163.14821	14.8
165.16373	10.6
177.16386	8.8
191.17996	5.3
200.61382	3.2
205.19440	3.6
214.10828	2.8
247.22186	1.9
247.24205	80.3
265.25262	100.0
283.26260	8.0
339.28915	76.2
357.26254	17.7
357.30197	10.2
357.35422	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	358.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02386	0.4
69.93059	0.6
69.93465	1.0
72.08160	1.3
78.04734	0.3
79.04684	0.3
80.79137	0.3
84.04524	0.4
84.73669	0.3
86.09710	1.3
89.03925	6.0
89.19751	0.3
91.05471	0.8
93.07031	0.3
98.19206	0.3
103.05505	0.7
106.04188	0.9
117.03386	22.4
121.06497	0.5
130.05037	0.4
133.02794	0.5
134.03633	1.7
135.04437	1.2
137.06004	1.8
138.06323	0.6
143.08144	0.3
145.02853	55.3
146.11778	0.7
149.05981	7.2
149.07137	0.4
153.60472	0.3
163.04036	0.4
166.08673	0.7
177.05479	100.0
178.05833	0.7
184.13391	0.3
185.16483	0.7
186.05510	0.8
190.08554	0.4
202.84726	0.3
213.15982	0.5
340.12448	0.4
358.13190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05515	1.8
56.05032	3.5
56.96583	1.2
60.04533	2.5
61.02894	1.2
65.03925	1.0
67.05506	7.5
69.03422	3.8
69.07067	3.5
69.23449	3.0
69.23868	5.0
70.06599	100.0
71.06928	3.6
72.08164	14.5
73.08488	1.2
74.02443	1.7
74.06085	1.7
78.20164	1.1
79.05531	1.2
81.03405	2.3
83.06120	3.3
84.04511	26.0
84.08154	17.2
85.02908	7.3
85.08474	1.7
86.06081	1.4
86.09711	42.5
87.04440	1.0
87.05597	1.5
87.10051	1.3
88.04000	3.3
91.05497	5.8
93.07062	6.8
93.93631	1.0
95.04979	2.9
95.06118	1.2
97.02908	3.6
98.97559	1.2
99.04511	1.2
101.07135	2.0
102.05555	7.1
103.05482	5.4
110.06042	3.5
110.07170	7.2
112.08768	1.6
115.08721	1.9
116.07097	18.8
116.07861	1.7
118.08624	1.3
119.04905	1.2
119.37191	0.9
120.08098	2.4
121.06516	96.7
122.06900	1.1
122.12453	0.9
127.03934	2.7
127.08807	1.0
129.05592	1.0
129.06616	3.9
129.10239	9.5
130.05014	2.2
130.10638	1.1
132.10213	25.3
134.04492	2.9
135.04416	1.1
136.06204	2.5
136.07574	1.5
137.06012	8.0
138.05493	14.9
138.06398	1.5
138.09175	1.0
145.02856	1.1
147.04366	1.4
149.06013	1.2
150.05475	2.1
151.03926	1.1
153.10400	0.9
156.07695	1.6
163.03938	2.7
164.07150	1.0
166.05005	17.1
166.08638	1.4
167.07089	2.1
170.59616	0.9
173.09276	1.3
177.05566	2.2
178.05914	1.8
181.09720	15.2
196.06023	2.1
196.09698	42.4
196.11510	2.2
197.12892	5.4
197.46165	1.0
199.10861	1.6
199.35263	1.0
203.07111	1.7
204.07413	2.2
205.08836	1.1
209.09248	17.3
210.09601	1.0
214.15706	1.5
215.13934	3.9
227.10065	1.7
229.15427	4.4
241.08296	1.2
243.13345	2.3
294.18170	1.5
298.11490	1.1
319.19720	1.0
326.11102	1.3
340.12683	1.4
340.18817	3.2
358.13873	2.8
358.19800	1.4
359.13474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41381	1.9
55.05511	39.9
57.03431	7.4
57.07072	21.0
65.45982	1.9
67.05508	37.7
69.07072	58.2
70.06587	9.0
70.84445	5.0
71.08636	12.7
79.05492	18.8
81.07060	51.5
83.08624	43.2
83.89234	2.2
85.10175	6.5
85.57855	2.2
88.07615	9.7
89.07929	5.2
93.07053	33.8
95.04947	2.7
95.08610	46.0
97.06534	16.2
97.10175	25.7
102.09202	2.7
105.07034	2.2
106.08668	7.1
107.08595	22.3
109.10154	27.2
111.08086	8.0
111.11712	8.0
121.10142	48.4
123.11700	10.6
125.09650	2.0
125.13295	2.9
133.10112	1.9
135.11678	38.2
137.13239	3.0
139.11147	2.3
140.55695	2.3
149.13254	19.8
150.23543	2.2
151.14806	6.8
163.14818	9.7
165.16432	5.9
173.13200	2.2
177.16403	4.6
179.63475	2.1
187.07452	2.3
194.72737	2.1
247.24203	45.3
265.25278	48.2
283.26346	2.7
339.28894	35.3
339.34506	6.0
357.15146	2.2
357.30502	5.2
357.35562	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01860	3.3
55.05273	4.9
55.05514	69.4
57.03434	16.0
57.07077	45.1
61.90071	3.0
62.40098	2.6
67.05145	2.8
67.05509	73.8
69.07073	95.4
70.47372	3.4
70.47709	5.8
71.04972	5.1
71.08635	22.8
72.08155	19.9
73.08474	3.9
75.04475	3.8
79.05495	45.3
80.31506	3.1
81.06594	5.1
81.07059	92.2
83.04969	3.5
83.08150	6.1
83.08620	74.3
85.06554	6.0
85.10175	13.3
91.05485	7.4
92.07572	3.2
93.07045	62.1
95.08606	95.0
97.06534	26.4
97.10173	49.8
99.87250	3.1
103.03945	8.1
105.07029	6.0
107.08598	55.6
109.10166	45.1
111.08083	11.0
111.11703	13.5
118.08646	13.8
121.10152	100.0
123.11691	21.1
125.09611	3.9
135.11690	63.3
137.13263	9.7
139.11147	6.7
149.13252	22.9
151.14844	8.8
163.14879	14.6
165.16379	10.3
167.14345	4.2
171.13907	3.5
173.67305	3.4
177.16365	8.5
181.15900	3.4
191.17950	5.9
231.17395	3.2
247.24229	77.4
265.25290	83.6
283.26331	11.8
312.58600	3.8
339.28912	58.2
357.30234	5.7
365.90552	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	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05275	4.8
55.05512	59.3
57.03417	11.5
57.07076	43.3
65.03952	2.8
67.05506	82.6
69.07072	100.0
69.33623	18.1
71.04975	4.1
71.08635	24.2
79.05496	41.9
80.36367	2.5
81.07060	88.8
81.39280	2.6
83.04986	4.1
83.08163	3.7
83.08624	64.5
85.06521	4.2
85.10160	10.3
91.05483	7.4
93.06488	4.4
93.07048	61.9
95.04987	2.6
95.08609	80.8
97.06546	24.0
97.10175	43.9
99.08084	3.4
107.08594	40.6
109.10155	44.0
111.08076	14.2
111.11729	10.2
121.10144	90.6
123.11707	14.4
125.09666	5.2
125.13219	4.9
135.11702	61.8
137.13225	8.4
139.11195	5.0
149.13260	26.7
151.14807	8.6
153.12753	4.7
163.14813	12.1
165.16405	8.9
167.14212	2.5
177.16347	5.4
190.09122	2.6
191.17935	4.0
195.17328	3.2
205.19434	4.2
239.40514	2.7
247.21852	5.4
247.24217	66.7
265.25269	78.7
277.84033	3.1
339.28943	61.3
357.11026	3.6
357.29984	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	357.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01910	2.1
50.55030	2.0
53.03941	3.3
55.01852	2.7
55.05515	67.0
57.03447	14.0
57.07081	40.4
67.05507	64.6
69.07072	98.9
70.06575	9.6
70.07390	3.4
71.04973	3.3
71.08304	2.3
71.08637	26.7
79.05077	3.1
79.05501	37.7
81.07059	82.2
83.04989	2.8
83.08624	64.9
85.06525	4.5
85.10197	10.4
85.10618	2.0
88.07661	13.2
89.07970	2.6
91.05473	5.9
93.06489	3.6
93.07049	50.9
95.08613	84.2
97.06550	20.0
97.10179	39.1
98.21529	4.9
99.08079	4.9
100.12572	2.4
102.09214	2.4
105.07020	2.2
106.08662	6.8
107.08584	39.2
109.09471	3.9
109.10161	45.3
111.08105	11.4
111.11714	12.4
111.80858	2.1
121.10152	70.8
123.08081	2.4
123.11720	13.6
125.09583	3.9
125.13224	3.0
135.11705	62.6
137.13280	5.6
139.11131	4.6
149.13251	28.7
151.14809	9.1
163.14812	11.6
165.16371	6.9
167.14247	3.2
177.16408	5.8
181.15884	3.5
191.18022	4.8
199.17143	2.3
205.19519	6.0
247.24222	69.1
265.25275	82.6
266.25797	2.4
283.26447	5.5
339.28989	74.3
339.34412	5.2
357.26224	35.9
357.30286	8.3
357.35538	100.0
370.91351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.01884	4.9
55.05274	4.2
55.05518	60.4
57.03442	18.3
57.07080	45.3
59.13907	3.0
66.33439	2.7
67.05510	72.8
69.07075	100.0
69.26816	26.2
71.04978	5.7
71.08640	26.8
79.05495	43.2
81.07066	85.6
83.08155	4.9
83.08624	74.4
85.06567	4.3
85.10181	11.8
88.51528	2.8
91.05460	9.2
93.06484	4.5
93.07051	59.7
95.08617	85.1
97.06537	26.6
97.10187	42.7
98.20807	6.8
103.03953	10.6
105.07101	4.2
107.08607	39.7
109.10170	46.4
109.10869	5.9
111.08076	11.0
111.11705	13.0
121.10147	85.1
123.11702	13.3
125.09629	6.6
125.13211	4.2
129.05505	3.9
135.11710	71.8
137.13219	8.3
139.11201	3.8
149.13271	34.6
151.14832	8.3
153.12779	4.0
163.14844	12.5
165.16411	8.5
177.16298	6.7
191.18037	5.8
203.12054	3.3
205.19528	4.0
247.24217	86.8
256.44366	2.9
265.25308	94.9
283.26343	9.6
339.28918	75.2
357.29962	13.2
357.35608	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
53.03940	4.6
55.01880	11.5
55.05500	6.2
56.96539	2.5
60.04516	3.1
65.03942	4.4
67.05505	19.5
68.02619	2.5
69.03423	11.9
69.07043	7.0
70.06595	30.5
71.04975	4.5
72.08157	10.2
79.05481	10.3
79.53870	1.8
81.03397	5.6
81.07062	12.9
83.05025	3.8
84.04477	4.5
84.08150	25.9
85.02872	2.9
86.09714	28.6
87.10028	6.3
89.03902	5.4
91.05485	23.3
93.03379	4.3
93.07033	16.6
95.04956	3.9
95.08082	2.6
95.08619	32.8
97.02874	7.0
98.21568	3.2
98.97595	2.5
99.04413	2.1
103.05451	8.8
104.38885	2.2
105.07030	11.1
107.04967	23.3
107.08571	5.9
109.02866	4.1
109.06518	4.9
109.10156	14.8
110.07126	3.1
111.04434	32.5
112.08712	1.9
115.05453	10.2
116.04927	3.3
116.07092	12.9
117.03363	9.8
117.07020	2.4
118.04183	2.4
119.04911	6.2
119.08592	14.0
120.08134	2.8
121.02851	2.5
121.06529	12.1
121.10083	2.3
122.03622	4.4
123.04383	5.0
125.02306	3.1
125.05949	4.6
129.05489	4.5
129.06772	2.4
129.10257	9.3
129.13849	2.3
129.90829	1.9
130.04051	2.2
130.08534	2.2
131.04929	19.5
131.08549	2.2
132.08131	2.4
132.10149	5.9
133.02878	3.6
133.06433	5.9
133.10506	4.5
135.04395	4.9
137.05981	63.5
137.09605	24.9
143.04906	6.1
144.04446	4.0
144.05626	4.3
145.02866	18.8
145.06427	7.4
146.03577	3.7
147.04407	5.0
147.07982	4.7
149.05969	14.1
150.06653	2.4
151.03886	7.2
151.07542	3.6
153.04352	2.3
153.05429	14.7
155.10643	2.6
157.55978	2.5
159.07985	2.0
160.05185	6.7
161.05994	21.8
162.06708	2.6
163.03874	5.6
163.07541	3.3
165.05463	9.0
165.06970	7.1
165.09125	5.4
166.07755	3.5
167.07111	15.5
171.04312	6.2
172.03947	21.1
172.05226	4.4
173.05995	4.4
174.06775	2.3
175.07506	19.2
176.04619	4.3
177.05493	49.6
177.06917	2.7
178.07646	2.5
179.07098	2.3
179.08522	6.3
181.04892	3.1
182.07187	2.3
183.10121	2.9
185.05927	5.8
187.07542	4.9
189.06973	4.5
190.07739	7.0
190.67108	2.1
191.06967	31.1
191.08556	10.1
192.07837	2.6
192.09476	1.9
194.07227	7.3
195.06471	4.9
195.08122	3.8
198.13071	3.2
202.07693	2.1
203.07007	25.1
203.08623	2.2
204.05064	2.3
204.06595	30.8
205.06538	15.6
205.08478	3.2
206.07195	6.6
207.08026	10.5
208.08812	2.8
209.09517	5.5
211.07550	5.2
215.06956	9.5
217.06409	4.1
218.07184	7.2
219.08075	18.9
220.08801	3.5
221.04247	5.8
221.06084	4.0
221.07762	2.2
222.06667	6.0
223.07562	4.2
225.05435	2.2
225.09164	2.9
233.05923	6.7
234.06740	14.1
235.07512	17.2
236.08299	9.4
237.09039	14.7
239.06989	6.6
240.07654	3.0
241.08443	2.9
245.05975	3.5
246.06654	5.8
247.07573	15.7
248.08296	4.4
249.05328	5.5
249.09157	17.3
250.06125	7.1
251.06886	6.7
251.10631	5.2
252.07957	4.1
253.08528	10.4
261.05820	2.7
261.09094	7.3
262.06168	5.5
263.07211	9.9
264.07797	11.2
265.08670	19.3
266.66556	2.5
267.10114	3.5
269.11783	2.2
275.06897	5.9
277.08597	25.4
278.05707	3.8
278.09177	5.5
279.06830	3.6
279.10028	15.3
281.08090	4.2
281.11633	3.3
282.08783	4.2
283.09900	4.2
289.08401	5.3
292.07266	3.7
293.08099	33.6
294.08884	11.5
295.09473	9.2
297.11026	10.5
306.09055	2.7
307.09613	19.7
308.10519	3.3
309.07867	4.5
309.11151	15.8
311.09296	3.7
311.12341	3.7
313.10611	6.1
321.11136	8.4
324.10150	4.3
325.10733	70.5
326.11298	4.0
327.12250	21.5
329.13651	5.5
339.12296	33.9
340.12137	2.4
357.13239	100.0
357.20572	4.7
358.12943	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	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01870	16.8
65.03927	3.7
68.97437	2.0
70.90440	2.5
70.90765	3.2
79.05510	4.3
81.07061	3.3
83.60520	2.1
87.32419	2.1
91.05485	8.2
93.03411	4.4
94.04171	7.1
103.05457	3.7
105.07002	4.2
107.04973	3.2
109.06516	5.3
111.04462	5.2
115.05433	4.7
117.03391	4.5
121.06486	3.5
122.03651	13.5
125.06026	4.0
129.06982	2.5
131.04968	3.3
133.06546	2.7
137.05988	84.8
137.69614	2.4
143.04927	5.1
144.05705	4.0
145.02831	6.3
146.03563	4.9
147.04442	3.6
149.05989	7.0
150.03093	2.5
151.03897	5.9
153.05455	2.8
155.04942	4.8
160.05194	4.9
161.05972	26.0
162.03201	3.0
162.06807	5.4
163.07547	3.3
165.05536	36.3
165.06905	4.6
172.05199	3.6
173.05965	2.7
175.07576	6.8
177.05511	18.8
178.05830	4.7
179.07019	2.2
179.08543	6.1
183.04453	4.2
187.07532	5.7
189.06981	6.8
190.07809	9.3
191.08598	15.3
194.07248	3.4
200.04623	2.8
202.07791	3.4
203.07004	7.9
203.08690	3.4
205.06418	4.0
206.07271	4.5
207.08041	7.9
208.08817	7.1
215.06985	13.1
217.06552	3.8
218.07246	18.6
219.08081	30.7
220.08846	3.8
221.06017	3.4
222.06586	3.5
223.07465	3.9
229.06503	9.8
231.08014	3.6
233.06035	2.8
233.09621	6.4
234.06725	9.0
235.07597	17.7
236.08354	8.2
237.05563	2.1
237.09106	2.5
245.06029	3.9
246.06731	19.6
247.07576	31.6
248.08331	7.9
249.05476	3.8
249.09113	14.9
251.06981	6.5
251.10701	4.1
252.07834	3.5
257.06021	10.3
258.06699	4.0
259.07587	3.5
261.09149	34.9
262.06281	3.8
263.07150	14.4
264.07880	15.8
265.08594	8.3
267.10126	7.4
274.06247	15.1
275.04129	3.4
275.06964	19.6
276.07669	3.8
277.08652	20.3
278.09332	7.8
279.07275	2.8
279.10196	16.7
281.08066	3.3
289.08594	46.2
290.09326	8.3
291.06509	7.0
292.07297	6.9
294.08896	10.1
295.09659	4.4
297.11154	3.0
306.08939	11.7
307.09653	100.0
308.10443	5.2
309.07782	4.5
309.11130	20.1
311.12897	2.8
321.11234	80.2
324.09988	3.3
325.10535	2.9
327.12308	28.2
339.12292	54.7
357.13504	9.6
368.42166	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
55.01865	1.0
63.68379	0.3
65.03948	0.5
67.05519	0.7
69.03429	0.7
69.07065	0.7
70.06582	1.6
79.05480	1.2
81.03417	0.5
81.07047	1.3
83.04977	0.4
83.08609	0.4
84.08140	0.7
86.09706	2.7
87.10037	0.8
89.03919	1.8
91.05479	2.3
92.05794	0.4
93.07052	1.1
94.04196	2.1
95.04971	0.6
95.08630	0.8
98.97561	0.5
98.98462	0.7
103.05462	0.7
105.03395	0.9
105.07040	0.9
107.04960	2.1
107.08581	0.6
109.06519	0.6
109.10137	0.4
115.05450	1.6
116.98508	0.4
117.03394	4.0
117.06981	1.2
119.04914	0.5
119.08575	1.1
121.06465	0.5
121.10123	0.5
122.03662	6.4
131.04935	1.4
132.10248	0.5
133.06454	0.6
137.05983	100.0
138.06317	1.1
141.05519	0.4
143.04927	5.5
145.01773	0.7
145.02858	9.8
145.06480	1.0
147.08015	0.5
149.05972	1.7
151.03925	12.4
151.05060	1.7
159.11600	0.4
161.05977	1.0
161.09583	0.8
162.09959	1.1
163.03886	1.0
163.07529	0.7
165.05536	0.4
165.07014	0.6
166.07707	0.6
167.07013	1.9
170.99875	0.4
175.07562	2.1
176.03407	0.4
177.05482	18.1
178.05721	0.6
181.04916	0.5
187.07594	0.5
189.09155	0.6
190.09486	0.7
191.07033	0.7
194.07315	1.4
195.08083	0.4
203.07082	2.3
204.06535	0.5
205.06638	0.8
205.08614	2.3
207.07973	0.4
211.07477	0.5
218.99654	1.0
219.08063	1.2
221.06033	0.5
222.03905	0.9
222.06633	0.6
234.06670	0.6
235.07555	0.8
237.00772	2.5
237.09143	1.0
237.60706	0.3
247.07535	0.9
249.09013	0.4
259.19086	1.3
263.06842	0.5
264.07642	0.6
265.08530	2.2
275.18286	0.6
279.10422	0.6
283.10620	0.4
293.19397	0.9
295.09573	0.7
297.08246	0.4
297.11121	2.2
304.04977	0.5
307.09607	1.2
313.74435	0.4
322.05988	0.7
325.10754	1.5
327.12222	11.9
339.12296	0.8
339.19922	1.1
346.06052	0.7
357.13351	32.5
358.13626	0.5
376.06909	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1336
Annotation	Spiraformin A
Peak:m/z	Relative Intensity
50.67766	1.4
55.01858	2.9
55.33028	1.4
67.05502	1.8
69.03408	2.4
69.07072	1.9
70.06596	18.1
71.02538	3.6
72.08143	6.7
79.05489	4.1
81.07042	2.8
84.04485	1.9
84.08150	10.1
86.09711	20.3
87.10023	3.2
91.05476	5.6
95.08554	1.7
97.02881	1.9
97.56358	1.6
103.05471	6.2
105.07050	16.7
107.04967	3.3
109.06532	2.6
110.07181	4.3
115.05453	7.6
116.07059	2.1
117.03384	2.4
117.07026	5.1
119.04939	4.7
120.08086	3.0
121.06522	2.4
122.03674	2.8
123.04421	2.1
129.10222	4.8
130.08643	5.6
131.04942	35.6
133.06506	9.0
135.08150	1.5
135.11763	1.6
137.05045	1.9
137.05995	29.4
143.05017	2.1
145.02861	2.3
145.06488	9.8
146.03676	8.5
147.04391	6.5
149.05966	6.6
151.03905	2.7
155.04939	3.9
161.05989	85.2
162.06749	3.9
163.07582	3.1
164.07065	3.5
165.05608	1.8
165.07022	3.6
167.07060	2.4
171.58046	1.6
172.03894	2.1
173.05986	7.4
175.07578	6.9
177.05550	11.2
177.09145	19.8
178.07773	4.0
179.07213	1.7
179.08543	9.0
181.06467	4.0
183.04398	2.5
187.07574	13.4
189.07002	5.3
190.07805	6.4
191.07059	3.1
191.08559	12.3
194.07336	6.6
195.08026	4.2
195.09967	6.0
200.13977	1.9
201.05472	3.0
202.07846	2.2
203.06987	2.1
204.06667	2.6
205.06541	6.8
205.08620	12.9
206.07285	4.5
207.08052	19.4
208.08842	4.8
209.09705	2.8
210.06706	2.5
213.08809	1.6
215.07095	6.8
217.06479	4.1
218.07281	6.9
219.08055	18.5
220.08878	2.1
221.06068	9.6
221.09721	3.7
222.06612	3.6
223.07567	8.4
224.08319	7.3
225.09213	2.9
233.06004	2.4
233.08011	11.3
234.06744	11.0
235.07544	26.1
236.04703	2.6
236.08336	11.0
237.05458	5.0
237.09065	8.6
238.06195	2.5
238.09874	2.4
239.10771	4.0
245.06197	1.7
246.06767	4.5
247.07510	16.9
248.08359	4.4
249.05440	2.9
249.09058	10.7
250.06267	7.2
250.09927	2.0
251.07066	9.6
251.10681	12.9
252.07724	8.7
253.08818	3.2
261.09106	3.7
262.06308	7.3
263.07037	15.9
264.07809	17.4
265.08591	21.4
266.09491	4.7
267.10257	12.2
269.07892	1.9
274.06354	3.9
275.07120	11.1
276.07748	2.7
277.08572	20.4
278.09396	5.5
279.10172	26.9
280.07162	4.6
280.10385	1.8
281.08035	5.6
283.09665	1.7
284.10284	2.3
289.08633	4.9
291.06686	2.0
292.07455	2.6
293.08133	3.5
295.09683	42.3
296.10370	4.0
297.11203	8.9
306.09009	1.8
307.09683	16.0
308.10242	2.1
309.07901	2.1
309.11121	8.6
310.11777	3.0
311.12866	14.8
313.12537	1.8
321.11261	6.8
324.10059	2.3
325.10730	100.0
326.10883	2.5
327.12360	19.2
339.12219	21.5
339.18723	1.6
357.13309	67.3
357.19965	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0608
Annotation	Demethyltorosaflavone D
Peak:m/z	Relative Intensity
51.26773	0.2
58.99982	0.2
62.41689	0.2
70.05579	0.9
70.06604	0.3
77.71302	0.2
81.07073	0.6
86.09706	0.4
91.05473	0.4
92.21000	0.3
93.07024	0.4
95.08614	0.3
98.97596	0.2
105.07018	0.4
107.08569	0.3
121.10132	0.3
133.10136	0.2
133.79005	0.3
137.06023	0.3
161.06107	0.3
183.30588	0.3
190.02585	2.1
193.01404	0.7
208.03654	2.8
208.49992	0.3
210.03165	0.2
212.04738	0.7
225.05513	0.4
238.02708	0.3
240.04178	1.3
241.01295	0.4
244.03705	0.6
244.49446	0.2
246.76099	0.3
253.01398	0.3
256.03772	0.3
266.02274	0.5
267.02853	1.5
268.03690	2.7
281.00986	0.3
281.04410	0.6
283.05988	0.3
295.02420	1.7
296.03183	1.6
298.01160	1.4
309.00287	10.8
310.00629	0.3
311.05460	0.3
324.02664	25.4
325.03049	0.6
327.01431	1.2
339.05005	100.0
340.05347	2.1
342.03625	0.7
356.67767	0.3
357.05951	1.9
357.26163	0.3
365.16183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0606
Annotation	(-)-UCT 1072M1
Peak:m/z	Relative Intensity
55.05499	1.2
57.03428	1.0
60.11120	0.6
67.05501	2.6
69.07065	2.9
70.06575	0.7
71.04991	0.9
79.05484	1.5
81.07059	4.7
83.08607	2.4
85.06561	0.9
86.09695	0.9
91.05463	1.4
93.07063	2.9
95.08593	2.2
98.97564	0.7
105.07053	1.4
107.08605	2.0
109.10119	0.8
110.07156	0.7
111.08068	1.8
113.46708	0.6
121.10158	1.1
123.11736	0.8
137.05988	1.0
141.68753	0.5
143.08649	0.6
145.02956	0.7
145.46579	0.6
149.13268	2.8
153.06859	0.6
159.11705	0.8
161.83144	0.7
167.14282	1.2
184.07397	1.0
190.02695	1.8
208.03618	3.1
211.04095	0.6
212.04688	0.6
231.15906	4.4
239.03363	1.3
240.04184	2.1
244.03751	1.4
265.01318	1.3
268.03690	2.3
281.00919	1.3
286.74454	0.6
296.03214	2.5
314.04410	0.8
324.02682	30.0
339.05008	100.0
340.05194	1.9
340.12906	0.8
357.06076	2.5
357.23080	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	356.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01876	7.9
55.05518	0.7
56.05027	0.4
62.81248	0.3
67.05500	1.8
69.07073	7.5
69.79731	1.9
70.06596	2.8
73.17722	0.3
74.76083	0.3
77.03944	0.4
79.05503	4.1
79.05928	0.5
81.03418	1.4
81.07066	1.1
83.05003	0.6
84.08167	0.4
85.02911	0.7
86.09710	100.0
87.10023	0.5
91.05485	27.9
93.07049	2.9
94.62643	0.3
95.04982	1.3
95.08632	0.5
97.31417	0.3
98.20815	0.4
98.97642	0.5
103.05487	0.5
105.03389	0.4
105.07037	17.5
107.04983	1.8
107.08611	0.7
115.05466	1.1
117.07028	5.7
119.08588	38.4
120.08913	0.5
123.04429	0.7
128.06229	3.8
129.07013	7.8
130.09805	0.3
131.08589	2.1
132.10213	29.8
133.06508	5.4
133.10138	15.4
135.11649	0.4
137.05997	4.0
137.09525	0.4
143.08574	8.8
145.02856	0.9
145.06505	1.5
145.10152	1.4
147.08055	28.7
148.08414	0.5
151.03947	0.6
161.09624	57.7
162.09946	0.9
163.11180	1.1
165.09134	2.1
166.11404	0.3
167.07031	0.5
171.08070	2.5
175.07538	0.4
177.05490	1.7
179.10722	2.5
181.53844	0.4
183.14867	0.5
189.09116	45.7
190.09331	0.8
195.14035	0.3
206.11839	0.4
207.10208	1.4
243.17096	0.8
246.18513	1.0
256.16971	1.0
274.18033	24.4
275.18408	0.5
292.19086	33.9
293.19366	0.7
302.17453	2.6
310.20093	1.9
320.18582	13.4
326.10968	0.5
338.19635	32.0
339.19934	0.8
356.20728	0.5
357.13373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22139	0.9
55.05521	1.5
57.03430	6.6
69.03411	1.7
69.07043	1.0
69.47875	4.1
69.48273	2.7
70.06587	14.1
71.04993	31.3
72.08157	5.5
73.02902	2.7
75.04453	1.2
82.78055	1.0
83.06116	1.5
84.04501	4.1
84.08140	7.0
85.02905	11.6
86.09697	4.9
87.04485	1.1
88.03970	1.1
89.06030	10.6
91.05460	1.3
95.01334	8.1
97.02888	2.0
99.00774	1.4
110.07155	10.1
111.04468	1.1
113.02352	3.6
115.59395	1.1
116.07084	2.5
120.08098	1.4
124.84084	1.1
126.09017	1.1
127.03899	2.5
129.10223	4.9
133.06108	1.5
135.04408	1.2
136.07587	3.4
137.05949	6.0
141.01820	16.3
145.08603	100.0
146.06020	1.4
156.07657	3.0
159.02838	2.4
161.05963	1.8
163.03998	1.4
163.09663	63.3
164.04257	1.6
164.07079	1.4
177.05408	1.8
216.18872	1.1
303.10657	2.5
321.11810	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	356.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00905	0.7
54.03460	2.6
55.05505	2.4
56.04757	1.3
56.05033	20.4
56.96540	0.8
58.06589	2.4
59.26405	0.7
60.04517	1.4
68.05022	2.7
69.03422	1.4
69.07066	7.5
69.23246	3.8
69.23668	2.9
70.02956	0.8
70.06596	72.7
70.89379	0.8
71.06915	1.4
72.08173	8.2
74.06076	1.8
82.06579	0.8
83.08608	2.1
84.04511	11.4
84.08150	8.6
85.02893	2.5
86.06071	23.7
86.09706	36.6
88.03978	1.8
91.05462	1.6
97.02889	1.9
98.09699	11.2
98.21535	1.6
98.82742	0.8
98.97565	1.9
100.03985	4.5
102.05548	1.5
103.05494	1.0
104.92992	0.8
107.04945	1.3
107.31221	0.8
110.07180	7.7
110.09669	5.5
112.08742	0.9
112.11238	8.4
113.07144	3.6
114.05521	3.0
116.07098	100.0
117.96668	0.7
118.73641	0.7
119.04967	1.1
120.08112	2.0
126.75835	0.7
127.08671	1.6
128.07095	1.6
129.06586	0.9
129.10225	5.5
130.10524	0.8
131.04854	0.7
132.10191	11.0
135.04410	1.2
136.07582	4.3
137.05965	2.7
138.06500	0.8
141.13863	2.8
142.08623	1.7
143.11876	0.9
145.02859	1.4
146.05983	3.6
153.10252	10.7
156.06520	3.0
156.10197	11.0
157.06088	2.2
161.06006	1.2
163.03876	2.8
164.04219	2.9
164.07050	3.0
167.06967	1.2
167.11943	1.3
169.13382	11.6
170.68542	0.9
173.09251	7.2
175.07535	1.0
177.05434	1.3
185.12852	1.8
187.10648	0.8
194.08179	0.8
195.11334	3.7
196.14397	0.9
197.09203	8.9
197.12862	22.6
199.10796	57.0
200.11081	1.0
213.12349	11.8
225.08688	9.6
235.15199	1.0
241.11794	7.3
243.09775	12.5
245.14844	1.3
296.08826	0.9
310.17596	11.8
312.19135	3.5
333.48599	0.8
356.10913	1.5
356.18134	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	356.1494
Annotation	(-)-8-Oxoisocorypalmine
Peak:m/z	Relative Intensity
51.61687	0.2
60.28818	0.3
62.06080	0.7
63.02380	0.6
70.31079	0.7
76.96674	0.2
78.04712	0.3
89.03927	4.9
91.05505	0.5
93.06988	0.2
102.33940	0.2
103.05474	0.3
105.03410	0.5
106.04210	0.3
117.03393	19.1
119.04962	0.4
120.08127	0.2
121.06519	0.3
125.39952	0.2
131.04961	0.2
134.03635	1.2
135.04460	0.7
137.06010	0.3
145.02863	56.0
146.03200	0.6
146.05984	0.5
149.06003	6.2
151.07593	0.7
155.14685	0.2
158.06024	0.3
162.03047	0.3
163.03931	0.6
163.07584	0.3
177.05487	100.0
178.05829	0.8
178.08670	0.5
178.15555	0.2
179.16711	0.2
180.10240	1.3
186.05545	1.2
188.93607	0.2
193.54195	0.2
265.08621	0.6
293.08066	0.2
297.11319	0.3
320.26028	0.5
325.10861	0.4
338.26819	0.3
356.14984	25.8
357.15692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05518	25.2
57.03426	7.0
57.07078	14.7
65.03931	2.9
67.05508	67.8
69.07072	37.2
69.57757	4.2
69.58164	7.7
70.06600	3.3
70.37832	1.7
71.04970	4.0
71.08615	7.6
72.08144	1.8
79.05496	20.1
81.07059	100.0
83.08627	29.1
85.10172	7.1
88.07645	1.9
91.05470	16.5
93.07050	29.3
95.04963	1.8
95.08613	91.4
97.06524	8.0
97.10165	21.3
98.21429	3.8
99.08091	5.3
105.07037	15.2
107.08604	20.0
109.06554	2.6
109.10162	40.2
110.71254	1.7
111.08076	5.7
111.11722	5.9
113.09641	4.8
119.08603	15.1
121.10144	25.8
123.08104	1.8
123.11707	20.4
125.09559	2.6
125.13211	2.3
133.10130	18.3
133.94818	1.7
135.11665	16.4
137.05930	1.9
137.09653	2.2
137.13272	10.0
138.82318	1.9
141.12727	2.9
147.11664	12.5
149.13254	12.7
151.14832	7.5
155.14308	2.5
161.13275	17.7
163.14806	14.1
165.12778	2.9
165.16431	9.3
169.68503	1.9
175.14828	13.8
177.16307	2.8
179.17990	5.7
181.15814	2.6
181.79022	2.0
189.16342	6.0
201.09167	1.7
203.17963	2.6
245.22682	57.7
263.23724	54.3
337.27368	31.8
355.15335	2.6
355.28381	12.1
356.35089	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.82133	2.1
53.03936	3.6
55.01858	2.3
55.05516	28.5
57.03430	5.4
57.07075	14.2
67.05507	75.1
67.98556	2.0
69.06737	2.7
69.07075	41.2
69.29655	8.1
69.30076	9.2
69.82615	2.1
71.08619	6.0
74.45047	2.1
78.27450	2.1
79.05487	24.0
81.07059	100.0
83.08619	24.9
85.06516	3.3
85.10172	3.2
91.05495	18.3
93.07045	33.2
95.08611	88.9
97.06529	9.6
97.10168	23.3
99.08085	5.0
105.07054	12.4
107.08598	19.8
109.10157	43.3
111.08062	4.8
111.11713	6.0
113.09602	2.9
119.08604	15.8
121.10136	30.1
123.11703	25.7
125.09600	2.4
133.10130	17.5
135.11687	13.3
137.13248	10.5
138.17656	2.2
138.63467	2.4
141.12718	2.7
147.11685	12.4
149.13254	14.5
151.11223	2.4
151.14833	7.1
153.12761	2.1
155.14281	2.8
161.13272	14.3
163.14836	15.0
165.16238	5.3
175.14861	13.7
179.17900	4.4
189.16373	5.2
203.17953	2.3
245.22656	50.7
247.24115	2.4
263.21146	4.3
263.23721	56.8
302.24200	2.2
317.98926	2.3
324.24313	2.5
337.23706	4.0
337.27393	44.1
355.28394	8.9
356.35004	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	1.4
55.05513	34.4
56.96544	1.1
57.03439	10.7
57.07080	11.2
57.87566	0.9
65.03934	3.0
65.41159	1.0
66.21929	1.0
67.05506	85.0
69.07071	42.9
71.04989	2.9
71.08640	5.3
73.04765	0.9
75.04516	1.3
79.05494	28.6
80.56160	0.9
81.07057	100.0
82.07377	0.9
83.04988	3.6
83.08623	33.2
83.09123	1.7
85.06551	4.3
85.10182	3.8
86.01637	0.8
88.07644	1.5
91.05479	16.9
93.07049	29.9
93.07642	1.8
95.04954	1.5
95.08610	87.5
97.06538	9.2
97.10167	20.3
99.08091	4.4
101.06041	0.8
105.04539	1.1
105.07030	14.1
107.08598	21.3
109.10160	44.3
111.08068	4.1
111.11722	7.6
113.09634	2.3
117.06996	1.4
119.08581	17.0
121.10148	26.8
123.08061	2.6
123.11703	20.8
125.09663	1.6
125.13258	2.2
127.11192	1.9
129.05501	1.8
129.61693	0.9
131.08574	1.2
133.10144	17.4
135.11690	13.9
137.05965	1.3
137.09610	3.1
137.13260	9.7
139.11156	2.3
141.12743	2.0
147.11691	12.6
149.13245	12.9
149.35413	1.1
151.07596	1.2
151.11203	2.2
151.14825	6.9
155.14291	2.6
161.13269	15.5
163.14813	12.3
165.12804	1.8
165.16377	6.8
167.14326	2.6
175.14825	10.9
177.16365	3.2
179.14354	2.0
179.17970	4.6
181.15858	1.9
183.64789	0.9
189.16396	5.7
193.15906	2.2
203.17975	1.4
217.19690	1.1
245.22659	45.6
246.23010	1.0
247.24146	1.2
263.23712	49.4
265.25369	1.3
281.24698	2.4
295.12909	0.9
305.11725	1.3
315.16232	1.2
333.17603	1.7
337.27359	41.7
338.27698	1.1
355.15561	1.7
355.28430	26.1
355.33932	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	26.1
57.03428	5.4
57.07076	12.3
65.03925	3.4
67.05508	73.4
69.07069	33.0
69.93105	10.9
71.04998	2.3
71.08636	5.8
79.05499	23.0
81.07060	100.0
83.08620	26.0
83.58929	1.9
85.06558	3.5
91.05482	20.2
93.07048	29.3
95.08612	84.6
96.09000	2.3
97.06529	8.2
97.10162	15.6
98.20834	2.9
98.21381	4.4
99.08117	4.2
105.07032	11.6
107.08604	19.1
109.10156	47.7
111.08083	4.6
111.11707	4.4
113.09664	2.2
115.47068	2.0
119.08584	15.4
121.10144	30.9
123.11719	21.3
125.09629	3.5
133.10144	20.1
135.11714	15.1
137.13289	10.9
147.11684	13.6
149.13243	14.7
151.14848	8.7
153.14011	1.9
155.14296	2.0
161.13272	15.7
163.14839	17.3
165.16394	9.3
175.14813	10.5
177.16399	2.3
179.17984	6.3
189.16415	6.8
217.19423	2.8
245.22667	66.0
246.22902	2.9
263.23712	73.7
265.25153	2.6
267.24951	2.3
281.24792	3.3
337.27365	36.7
347.60651	2.2
355.28391	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05514	25.2
57.03429	9.6
57.07081	14.0
57.51113	2.4
67.05138	3.6
67.05504	73.2
69.07072	34.6
70.96303	2.8
70.96612	3.9
71.04990	3.1
71.08638	4.9
74.69637	2.3
79.05495	23.0
81.07055	100.0
82.68005	2.1
83.08624	30.6
85.06526	3.1
85.10172	3.0
91.05480	16.8
93.07044	23.2
95.08606	88.7
97.06505	7.1
97.10172	16.6
98.21118	2.8
99.08092	6.6
103.03920	2.7
105.06995	11.9
107.08611	19.9
109.10157	49.3
111.08121	4.0
111.11710	5.2
113.09577	2.7
119.08602	16.0
121.09484	2.6
121.10158	33.0
123.11716	25.2
125.13224	3.5
133.10121	20.1
135.11684	17.4
137.13248	10.8
141.12764	3.5
147.11694	17.3
149.13258	17.6
149.26161	2.6
151.11208	3.5
151.14795	10.7
161.13278	18.0
163.14822	19.3
165.16350	13.9
175.14835	16.3
179.17955	8.7
181.15808	2.5
189.16397	7.6
202.57300	2.7
203.17966	3.5
245.22638	60.7
263.23709	66.9
294.88901	2.4
300.99500	2.6
337.27335	43.9
355.28391	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	355.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01873	4.5
55.05519	8.4
57.03415	1.8
57.07081	2.2
59.04986	4.6
65.03931	2.2
67.05517	7.5
69.03439	19.8
69.07056	8.7
70.06582	7.1
71.01359	1.8
71.04987	4.3
71.51664	2.5
72.08155	3.7
75.04462	2.2
77.03947	1.9
79.05495	24.8
81.03410	3.7
81.07058	15.1
83.05005	2.7
83.08595	2.5
84.08128	5.7
84.79289	1.7
85.02908	6.2
86.09720	11.8
87.04485	3.4
89.03902	3.0
91.05473	29.4
93.07049	46.3
95.04955	6.9
95.08604	5.2
97.02898	18.6
97.06527	2.6
98.97566	4.8
99.00845	1.5
103.05471	4.9
105.03404	11.0
105.07034	25.7
106.04154	2.0
107.04971	5.8
107.08603	100.0
109.02848	1.8
109.06524	7.6
109.10185	2.6
110.07165	2.4
111.04444	6.2
115.03963	2.7
115.05462	5.5
116.98643	1.5
117.03381	2.3
117.06998	9.3
119.04939	3.7
119.06087	1.6
119.08583	10.6
120.08064	2.7
121.02874	1.4
121.06524	10.4
121.10139	18.4
122.03683	3.9
123.04427	2.5
123.11718	3.1
125.02342	6.4
127.03902	2.5
128.06206	2.7
129.05487	4.7
129.07018	4.5
129.10245	3.6
130.07762	5.5
131.04944	4.5
132.05685	2.5
132.10207	2.5
133.02852	6.5
133.10121	4.3
135.04436	8.0
135.08067	12.0
135.11699	84.1
137.05988	57.7
141.07010	1.8
143.01881	3.6
143.04912	1.8
143.08589	1.9
145.02884	3.7
145.06487	4.6
145.10130	34.5
146.03600	2.1
147.04404	4.3
147.08054	5.4
148.05150	2.3
149.05974	6.9
150.06781	9.3
151.03905	6.8
151.07562	4.5
153.05533	1.9
158.03641	3.2
159.04381	2.6
161.02361	2.8
161.05997	5.0
162.03093	1.9
163.03937	9.8
163.07498	3.9
163.11176	48.7
165.05499	3.3
167.07086	9.4
167.08316	1.8
169.06503	3.0
173.05983	7.0
175.03969	2.2
175.06007	19.4
175.07579	18.0
176.04691	8.5
177.05534	10.3
177.09126	5.4
178.07767	4.1
179.06958	1.8
181.04955	2.8
181.08459	1.7
181.12259	5.0
186.03067	2.8
187.03886	9.2
189.07004	3.6
189.08966	1.9
191.07062	11.2
192.05692	1.5
193.04944	2.6
193.08595	4.1
199.07622	1.7
201.05475	53.8
201.09177	2.4
205.06445	9.9
206.07272	6.6
207.08148	2.1
211.07642	2.2
213.05461	3.9
217.06642	1.8
218.07185	3.4
219.08125	1.9
220.05211	1.6
221.05923	4.3
222.06755	4.0
222.10091	1.7
223.07469	3.1
233.06044	6.5
234.06746	16.3
235.07527	6.7
236.08206	3.4
237.09116	3.3
245.05956	4.0
247.07607	3.3
249.05537	3.3
249.09192	4.9
250.06337	4.4
250.16133	2.0
251.06995	6.7
252.07695	1.9
254.09404	2.4
255.65170	1.7
256.15912	4.5
259.07605	2.1
261.05521	2.7
262.06332	17.0
263.07025	5.8
264.07745	2.7
264.65805	3.8
265.08685	11.6
265.16263	4.7
266.09351	1.5
267.06552	2.6
267.10153	2.0
273.05463	3.5
276.07721	3.0
277.05499	2.2
277.08551	14.3
278.05603	1.5
278.09247	1.8
279.06543	3.7
279.09879	2.5
280.07526	2.5
289.04889	2.6
290.05725	24.5
291.06500	2.3
292.07285	2.2
293.07971	7.6
294.05609	1.8
294.08875	3.3
295.09659	5.3
296.10693	2.0
296.34329	1.8
297.11108	3.5
304.07446	2.5
305.08139	33.5
305.11746	4.3
306.08673	1.9
307.09576	3.9
309.07559	5.3
309.11261	4.5
310.08142	2.3
311.09149	4.8
319.09576	4.8
322.08450	4.4
323.09088	6.4
325.10712	25.0
327.12106	3.3
337.06998	11.4
337.10706	47.5
337.14307	2.3
355.07797	2.6
355.11447	13.9
355.15390	8.2
355.27960	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.05508	0.6
56.96597	0.5
65.03945	0.5
67.05515	2.2
69.03439	0.9
69.71021	2.9
70.06601	1.5
73.04752	0.5
77.03909	0.5
79.05489	0.7
82.06591	4.7
85.02915	0.7
94.06595	0.5
96.04528	0.5
97.02914	0.9
98.06083	0.6
98.21477	0.6
98.97581	0.8
99.90216	0.5
108.08114	0.7
110.06053	18.2
110.06793	0.9
110.97587	0.6
122.06049	1.0
124.07649	0.7
126.05518	7.5
128.07074	2.0
136.07585	54.9
137.06000	1.0
138.05475	2.5
143.86324	0.5
152.07065	2.5
156.06612	0.7
163.03964	0.5
164.07079	100.0
165.07417	1.2
166.05009	1.1
182.08144	87.1
187.61232	0.6
197.05246	0.7
198.09166	1.3
206.05783	1.4
206.55978	0.5
211.31885	0.5
214.08551	1.0
216.10263	0.6
219.01793	0.6
228.10249	0.6
230.08089	0.6
237.02878	0.9
238.03798	1.4
238.54240	0.5
256.04907	0.7
256.09720	0.8
256.84213	0.5
259.10724	1.8
276.12375	0.7
281.44586	0.5
301.11691	0.7
302.10321	2.6
319.12823	5.5
320.11118	1.4
335.18866	0.6
337.13998	2.7
355.15088	1.7
375.08386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1175
Annotation	(+)-EI 1507-1
Peak:m/z	Relative Intensity
53.03938	0.7
55.01862	0.8
55.05501	0.7
59.46923	0.5
60.17591	0.5
65.03943	0.8
65.46732	0.5
67.05474	0.7
68.17175	0.5
70.04377	2.4
70.06595	3.4
72.08141	1.7
75.35948	0.5
75.63454	0.5
78.50774	0.6
79.05463	1.6
81.07016	1.0
81.86955	0.5
84.04500	0.7
84.08141	3.4
85.02888	0.6
86.09715	2.7
91.05479	10.3
93.07028	0.7
94.04171	1.1
95.04979	0.9
98.21438	0.6
98.97559	0.5
102.04674	0.8
103.05441	1.3
105.03409	1.3
105.07024	1.6
107.04956	2.3
107.08627	0.7
109.06505	0.9
110.07162	1.6
111.04441	1.4
115.05453	3.4
117.03401	1.0
117.07040	1.7
119.04961	9.4
120.08090	0.8
121.02859	0.5
121.06525	1.0
122.03600	3.0
123.04440	1.1
124.05217	3.2
129.10243	0.8
130.04131	2.4
130.06522	2.1
131.04890	0.7
133.02864	1.0
133.06503	1.5
135.04395	3.0
136.07573	0.8
137.05983	35.2
143.04939	2.0
145.02824	0.9
145.06502	3.0
146.03603	0.8
147.04414	8.1
149.05977	2.6
150.06775	4.1
151.03900	1.8
151.07544	1.8
157.03941	0.7
158.03650	4.8
160.05148	1.0
161.05969	3.2
162.03154	0.7
162.06778	2.0
163.03926	4.2
163.07500	0.8
164.07118	0.9
165.05492	1.1
165.06929	1.2
167.07028	1.1
171.04343	0.9
173.05978	7.8
175.03920	12.3
175.07555	1.1
176.06235	0.9
177.05458	1.8
177.07019	1.6
178.07764	2.7
179.07034	3.5
179.08475	1.0
180.07832	3.8
186.03131	7.8
187.07489	0.8
187.31900	0.6
188.04668	1.1
189.05450	2.3
189.07002	3.5
191.06999	0.8
194.07333	2.2
196.14429	0.6
201.05476	100.0
202.05818	0.8
203.07092	2.8
203.08644	0.6
205.06512	7.5
206.07242	5.6
207.08087	1.1
213.05455	2.9
217.06544	2.2
218.07225	1.5
219.08174	1.0
220.05272	0.6
221.06003	1.8
221.09319	0.6
222.06789	3.5
223.07576	1.8
231.06433	3.4
233.05962	5.9
234.06793	12.1
235.07530	3.1
236.04776	0.8
237.05511	0.8
237.09093	3.6
238.06424	0.7
245.05963	2.6
246.06898	0.9
247.07420	1.1
249.05498	1.6
249.09120	3.8
250.06264	4.2
251.07014	3.7
253.08583	0.5
261.05481	2.3
262.06253	7.4
263.07028	2.4
264.07840	1.3
265.05020	0.5
265.05688	0.6
265.08621	6.2
266.09180	1.2
267.06738	0.5
269.08041	0.7
273.05563	3.1
274.06293	0.7
276.07950	1.1
277.05298	0.8
277.08585	9.1
278.05737	1.5
279.06598	3.5
280.07288	1.2
289.04987	1.1
290.05737	7.3
291.06552	0.9
291.10077	1.3
292.07263	2.4
293.08182	4.0
294.08920	2.2
295.09622	1.2
297.10983	0.6
305.08072	15.9
307.06369	1.1
307.09619	4.0
308.06860	0.7
309.11301	1.8
311.09094	1.6
319.09521	1.0
321.07416	1.0
322.08313	2.2
323.09229	5.1
325.10712	6.3
337.10712	11.9
337.14703	0.9
355.07465	0.7
355.11789	13.3
355.17053	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34601	0.5
55.05508	0.9
56.96568	0.6
65.03937	0.5
67.05497	0.6
69.07079	0.6
69.96886	2.9
70.06602	4.8
71.04994	0.9
72.08144	2.5
74.06050	0.7
77.03927	0.7
79.05485	1.6
81.07038	0.9
84.04506	0.8
84.08149	4.9
85.02898	1.1
86.09708	3.7
89.03925	0.7
91.05465	8.6
93.07045	1.1
94.04197	1.0
95.04961	0.7
95.79762	0.6
97.02856	0.8
98.97555	0.8
102.04651	0.9
103.05458	1.1
105.07012	2.3
107.04934	2.2
109.06510	1.2
110.07162	1.0
111.04422	0.7
112.75887	0.5
115.05447	2.5
116.07014	0.7
117.07010	1.3
119.04947	10.1
120.08064	1.0
121.06489	1.1
122.03642	2.9
123.04424	0.7
124.05183	1.9
124.47033	0.6
129.10252	2.8
130.04150	1.3
130.06480	0.9
131.04962	1.4
133.02890	0.8
133.06496	1.7
135.04451	1.8
136.07578	0.9
137.05980	31.4
143.04871	1.6
145.02847	1.2
145.06470	3.6
146.03624	0.7
147.04431	8.3
147.08002	1.2
149.06010	2.9
150.06738	3.6
151.03896	2.1
151.07552	2.7
152.08302	0.8
153.05313	0.6
157.03983	0.7
158.03664	3.2
159.09248	0.7
160.05090	1.0
161.05989	2.5
162.03085	1.2
162.06728	2.7
163.03926	2.9
167.07065	0.7
173.06001	8.5
175.03926	10.1
175.07579	1.7
176.73485	0.6
177.05428	2.3
177.07010	1.8
178.07742	2.6
179.07059	2.4
179.08479	0.8
180.07881	3.2
186.03148	6.5
187.07635	0.7
188.04765	0.7
189.05353	1.9
189.07030	3.6
191.08539	0.7
193.05006	0.9
194.07259	1.7
195.08003	1.0
195.60039	0.6
201.05467	100.0
202.05969	0.9
203.06937	1.3
204.05766	0.6
205.06487	5.5
206.07368	2.9
207.06390	0.9
213.05499	2.0
217.06491	2.2
218.07253	1.6
219.08035	1.0
220.05147	0.6
221.05974	1.5
222.06711	3.6
223.07515	1.9
231.06500	3.0
233.05956	4.7
234.06766	9.9
235.07545	2.7
236.04724	0.7
236.08206	0.7
237.09190	3.5
239.07025	0.7
245.06087	3.1
246.06602	0.7
247.07629	1.3
248.08301	1.7
249.05534	1.7
249.09044	3.2
250.06093	2.9
251.06984	2.8
261.05527	1.5
262.06262	7.5
263.06943	2.8
264.07880	1.7
265.08618	5.9
266.09482	1.0
267.06644	1.3
273.05530	2.8
276.07816	1.3
277.05569	1.1
277.08603	6.7
278.05780	1.9
279.06561	3.2
279.09821	0.9
280.07297	0.7
281.08563	0.6
281.11847	0.7
287.07098	1.1
289.04990	0.8
290.05679	6.9
292.07312	2.4
293.08151	4.9
294.08807	2.6
295.06326	0.7
295.09698	1.6
297.11081	0.9
305.08066	14.1
305.11551	1.4
306.09085	0.7
307.06067	1.0
307.09659	4.1
309.11288	1.4
310.08359	0.9
311.09128	1.8
319.09753	1.0
322.08292	2.2
323.09152	1.2
325.10712	5.5
337.07245	0.9
337.10764	9.1
355.11752	11.8
355.17136	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	355.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03947	2.5
55.01863	0.5
56.05037	2.3
57.03442	2.9
61.01151	0.5
67.05505	0.7
69.03425	1.6
69.49760	0.4
70.06593	1.5
71.01350	1.6
71.51381	0.4
72.08163	0.6
73.02927	3.6
77.03945	1.0
79.05499	3.5
81.07058	0.4
83.01366	0.6
84.04525	0.5
84.08141	2.2
85.02437	0.6
85.02910	6.2
86.09696	1.8
91.05482	1.3
93.07045	0.8
95.01337	1.3
95.04984	2.8
96.08907	0.4
97.02899	1.5
97.06545	0.5
97.83647	0.4
98.06072	2.3
99.00858	0.6
99.04476	0.4
101.02381	1.2
103.03961	1.0
105.03399	100.0
106.03751	0.5
107.04955	0.6
107.08620	0.4
110.07159	0.7
111.04482	1.0
113.02377	1.6
119.05007	0.5
120.08105	1.2
121.06520	0.9
123.04446	5.4
127.03913	0.9
129.10197	0.6
130.06584	0.5
131.03421	0.8
131.08577	0.6
135.04372	0.6
136.07611	0.5
137.05983	2.0
141.01778	2.1
145.02863	0.9
145.06570	0.5
147.04410	0.7
150.72699	0.4
151.04002	0.4
153.05573	0.6
159.02911	0.8
161.05959	0.7
163.03929	0.8
165.05548	0.7
175.03928	0.5
175.07518	0.5
176.07140	0.5
177.05501	1.0
179.07051	24.2
180.07599	0.5
180.24422	0.3
182.08148	0.6
190.05328	2.1
193.05026	0.9
197.08112	11.0
201.05527	3.4
221.08049	0.7
263.05673	0.7
263.09195	0.6
264.66711	0.4
297.83597	0.4
323.09103	0.6
325.10886	0.5
337.09091	5.4
355.10269	2.6
355.14172	0.4
355.17957	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72321	0.9
53.03939	3.6
55.01863	2.3
55.05519	2.0
55.73174	0.9
57.03436	4.4
61.02918	1.4
67.05510	1.2
69.03402	1.3
71.01364	9.6
71.51461	0.9
73.02910	10.9
75.04482	0.9
77.03939	1.3
79.05490	5.9
81.07061	5.0
85.02907	18.5
91.05487	3.4
93.07044	2.8
95.01333	2.3
95.04985	4.0
95.08610	2.9
97.02911	6.2
99.00836	2.3
101.02387	3.3
103.03954	2.1
105.03399	100.0
105.07028	4.1
106.03731	1.2
107.08599	2.1
109.10149	4.4
113.02384	8.9
115.05464	1.1
117.07048	1.2
119.08598	14.0
121.06518	1.5
121.10157	6.0
123.04441	8.3
131.03413	3.5
131.08484	1.1
133.10141	4.2
135.11743	2.0
137.05971	5.3
141.01839	4.7
141.05528	1.0
145.10129	1.4
147.04388	1.1
149.43164	0.9
159.02875	2.7
161.05971	4.4
165.05513	1.3
169.04912	1.3
173.13272	1.3
177.05592	1.2
177.09123	2.1
179.07043	20.7
179.08574	1.7
189.06929	1.2
189.16367	2.6
197.04433	1.2
201.16289	1.9
207.06456	1.1
213.16493	1.4
215.05481	1.4
217.06523	1.3
218.07256	1.0
221.08144	3.4
223.67717	1.1
231.06371	1.7
234.06747	4.0
235.07558	2.7
245.06009	2.1
249.09132	2.8
251.07034	1.6
255.55417	1.0
262.06192	2.4
263.06964	1.2
264.07822	1.6
277.08621	6.6
277.11203	1.2
279.06439	1.3
295.09720	3.0
305.08063	2.7
305.11594	2.5
309.25684	4.4
319.08160	1.5
323.09149	13.9
323.12704	1.1
327.12326	1.0
337.10815	5.0
337.14258	1.1
355.11212	15.6
355.15762	2.3
355.25964	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1911
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
53.03967	0.7
55.01867	2.4
55.05505	0.8
56.96556	0.8
57.03423	0.7
61.25276	0.5
62.58779	0.6
65.07689	0.6
67.05490	1.5
69.07069	11.6
70.06597	1.1
71.51943	0.9
72.08167	1.0
79.05489	5.1
81.03410	3.1
81.07056	1.0
83.04977	2.2
84.08151	1.9
86.09709	100.0
89.03926	1.3
91.05486	14.2
93.07055	8.2
95.04969	2.5
95.08580	0.7
103.05473	1.4
105.07033	4.7
107.04964	5.7
107.08603	3.8
109.02890	4.4
109.06528	1.8
110.07182	0.7
111.04464	1.2
115.05468	1.5
117.03397	3.8
117.07027	31.1
119.04953	0.6
119.08586	6.1
121.06517	1.9
121.10137	1.6
123.04424	10.5
128.06241	1.1
128.10727	10.0
129.07021	1.1
131.04930	1.1
131.08574	13.4
132.10219	8.2
133.06511	2.5
133.10132	5.0
135.04474	0.7
135.07007	1.6
135.08058	32.3
135.11716	1.9
141.07002	1.6
143.08586	2.2
145.02849	9.7
145.06493	5.9
149.05986	1.8
149.09628	4.4
156.10233	5.4
159.08055	16.6
161.05971	0.7
161.09624	2.2
163.06311	1.7
163.07533	25.5
167.06989	1.0
169.06519	1.6
175.07524	1.0
177.05487	12.9
177.09099	12.8
178.08650	16.2
181.08601	14.6
186.15375	0.7
187.07565	12.2
191.07092	0.8
193.08589	0.8
195.10222	2.5
204.10272	0.8
205.08604	72.9
208.13336	0.8
215.81612	0.7
222.11343	0.8
244.17014	2.2
246.18642	1.8
250.05881	0.6
262.09445	1.1
262.18021	3.1
272.16437	1.9
290.17511	64.1
308.18564	48.9
318.17123	1.1
322.11508	1.1
336.18103	10.7
354.14279	3.1
354.19177	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
55.01877	7.1
55.05507	1.4
57.03444	5.5
61.02928	5.2
67.05523	1.4
68.99788	2.0
69.03435	35.0
69.07076	4.2
70.06599	5.4
71.04996	5.4
71.08636	1.1
72.08147	3.2
73.02928	5.7
74.06096	1.2
74.56799	0.8
79.05476	1.1
81.03426	22.8
81.07049	2.0
84.04507	3.1
84.08148	6.4
85.02911	100.0
86.09716	8.1
87.00835	46.7
90.46014	0.7
91.03966	1.8
91.05460	3.8
93.07068	1.8
97.02899	32.0
97.03532	1.8
97.06513	1.0
97.10168	1.2
98.97557	1.2
99.04464	12.7
101.02396	1.0
103.05419	1.0
105.01872	79.4
105.06981	0.8
107.04950	1.5
107.08624	0.8
108.04479	1.9
109.02887	28.2
110.07150	1.8
111.11756	0.8
115.03906	1.4
116.07108	1.1
117.01855	2.1
117.07010	1.4
119.04903	1.5
120.08105	3.1
121.06513	0.9
121.10159	1.7
123.04408	0.9
126.05521	1.7
127.03926	69.2
129.01845	4.3
129.10251	1.8
130.05019	2.3
131.04944	1.7
131.08577	1.1
132.05713	1.2
132.10239	1.4
133.06058	0.9
137.05980	2.7
139.11212	4.7
145.03041	1.8
145.04968	31.1
145.06265	1.5
145.06564	1.2
147.04436	10.6
157.12241	6.9
159.02902	13.6
159.08017	2.4
160.05281	1.1
163.03902	1.3
163.07582	1.4
167.07098	1.1
175.13326	2.2
177.04088	1.5
177.05429	3.8
177.09142	0.9
178.05923	0.9
187.07570	2.5
189.03929	3.4
191.07079	2.1
192.07784	3.3
193.08247	3.3
197.11784	1.5
207.01138	1.2
208.02771	1.0
213.03958	3.1
230.06616	0.9
231.05013	23.1
248.07726	1.6
249.06070	8.0
251.04034	0.8
272.16296	0.8
290.17499	1.5
291.24048	0.8
319.14093	1.3
326.24222	1.5
337.15555	3.1
354.10373	2.2
354.13940	2.1
354.17831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
54.40072	1.0
55.01873	8.1
55.05506	2.0
56.05031	2.3
56.96568	2.0
57.03431	5.4
59.99709	1.0
60.04502	1.7
61.02925	4.7
67.05497	1.4
68.99796	2.1
69.03428	31.5
69.07063	2.1
70.06590	11.8
70.30679	4.0
71.04996	5.3
72.08167	7.1
73.02915	5.2
74.06084	1.8
79.05514	1.6
81.03422	21.8
81.07053	1.4
83.05006	1.1
84.04490	3.9
84.08148	9.1
84.96024	1.1
85.02908	100.0
86.09705	10.4
87.00829	41.0
87.04461	1.5
88.03969	2.1
91.03947	1.2
91.05477	3.8
93.07058	3.0
97.02893	33.7
98.97576	3.9
99.04456	10.0
100.11244	1.6
102.05527	1.2
103.05441	1.5
105.01867	83.5
107.04984	1.3
107.08574	2.4
108.04485	2.3
109.02884	24.6
110.07227	1.6
115.03947	1.5
116.07050	1.0
116.98621	1.5
117.01838	2.3
117.07006	2.0
118.08668	5.1
119.04936	1.3
119.08478	1.2
120.08125	3.3
121.10131	1.6
126.05444	1.5
127.03918	70.7
129.01849	2.6
129.10236	5.6
130.05022	5.3
131.08530	1.2
135.08078	7.7
137.05951	2.3
140.22102	1.0
145.03038	1.6
145.04964	33.3
147.02908	1.9
147.04437	6.4
151.03940	9.5
158.99651	1.1
159.02888	13.6
163.03926	1.6
163.07607	2.8
165.60143	1.1
167.07068	1.5
177.04062	1.4
177.05504	3.7
178.33221	1.1
181.08607	17.2
189.03979	2.0
197.11702	1.2
213.03857	2.3
219.01567	1.4
224.97102	1.0
230.06715	1.3
231.04988	24.4
237.02791	1.5
249.06096	10.7
261.02695	1.5
317.06625	2.6
318.06830	1.5
318.20914	1.8
322.11487	1.7
333.06732	2.3
354.13882	3.8
354.17911	2.0
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
55.05494	0.4
56.05533	0.3
57.03458	0.6
60.04533	0.5
69.03439	1.6
69.79034	2.2
70.06606	2.4
72.08170	2.1
73.02934	0.4
74.06078	1.0
81.03458	0.5
84.04523	1.3
84.08157	1.8
85.02914	5.0
86.09695	1.2
91.05490	0.5
95.01353	0.5
97.02915	3.2
98.21539	0.5
103.03957	0.9
109.02881	1.2
110.07183	1.2
117.03366	0.5
118.06530	1.5
120.08106	0.9
127.03903	1.2
128.05006	1.8
129.10223	0.7
130.06529	2.0
132.04465	1.7
132.08093	1.0
136.02942	0.4
137.06009	0.4
145.05202	1.2
146.06018	100.0
158.06004	1.0
159.06812	1.0
160.07593	3.6
163.03932	1.4
168.08130	0.5
170.06042	3.0
174.05519	27.5
176.07153	0.5
178.03198	1.1
184.07649	2.4
184.09064	0.4
186.05467	0.5
188.05304	0.8
188.07079	41.7
192.06564	52.3
196.07574	1.5
204.06490	0.7
212.07069	4.9
216.06573	5.4
224.07022	0.8
234.07611	6.4
240.06555	0.7
242.08174	1.1
254.08168	1.0
258.07678	2.4
270.07693	2.7
278.40472	0.5
282.07571	0.6
307.03683	0.4
354.27731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	1.8
55.01875	0.8
55.05510	11.5
57.03442	4.8
57.07079	3.2
57.24746	0.5
65.03947	2.0
67.05508	74.6
69.03436	0.7
69.07072	11.3
71.04125	1.3
71.04993	1.6
71.08637	1.2
75.04499	1.7
77.03965	0.5
79.05017	0.9
79.05144	0.5
79.05494	29.0
81.07059	81.9
83.05002	1.0
83.08623	7.7
85.06539	2.7
85.10231	0.7
91.04912	0.7
91.05483	17.1
93.07046	42.3
95.04978	1.9
95.08609	66.1
97.06544	2.9
97.10196	3.8
99.08098	2.0
105.07030	11.8
107.08597	29.3
109.06522	0.9
109.10159	36.3
109.29465	0.5
111.08087	2.3
111.11752	1.6
113.09660	1.6
117.07027	7.2
119.07726	0.6
119.08579	12.6
119.09371	1.0
121.10149	28.7
123.08063	1.3
123.11709	19.3
125.09605	1.2
131.08572	18.4
133.10136	11.6
135.11700	25.6
137.09610	1.9
137.13271	7.4
139.11177	1.2
143.08614	0.9
145.10132	12.6
147.11694	10.7
149.09607	0.6
149.13266	16.9
151.11203	1.8
151.14832	2.5
153.12744	1.2
159.11702	12.7
161.13252	8.6
163.11214	0.7
163.14821	12.4
165.12813	1.7
165.16402	0.9
173.13277	14.6
175.14813	3.6
177.12772	1.3
177.16385	5.5
179.14342	2.1
187.14830	8.9
188.15231	0.5
189.16315	1.0
191.14348	1.1
192.90755	0.5
195.13892	0.8
201.16466	3.1
205.15913	1.7
209.15469	0.8
215.17957	1.5
219.17477	1.8
233.22652	3.7
235.22842	0.5
243.21101	26.3
245.22411	0.7
261.22141	100.0
262.22510	1.2
263.23730	1.2
279.23157	7.3
317.24719	0.9
335.25812	17.7
353.26889	37.5
354.27109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.6
57.03426	0.8
61.02922	0.5
63.38031	0.5
69.03420	2.1
69.07066	1.2
70.06606	6.5
70.79420	1.1
70.79768	1.0
71.05003	0.7
72.08165	4.0
73.02916	1.1
74.06064	0.9
81.03417	1.5
84.04491	2.4
84.08149	4.0
85.02914	7.0
86.09718	3.4
87.10039	0.6
91.05474	1.9
97.02895	5.9
98.97610	0.7
101.08137	0.6
101.80141	0.5
102.05540	0.5
103.03923	0.9
109.02874	1.1
110.07178	3.9
112.70656	0.7
115.07586	0.9
116.07082	1.1
118.06552	3.8
120.08138	2.6
122.06035	1.1
127.03922	1.2
128.05011	1.6
128.07201	0.5
129.10257	1.8
130.06534	3.4
132.04460	2.2
132.08076	1.3
136.07587	1.6
137.05945	0.9
145.05180	1.8
146.06017	100.0
158.06039	1.6
159.06766	1.5
160.07602	6.3
163.03903	1.7
164.07076	2.2
168.08046	0.9
170.05960	3.9
174.05516	48.3
175.03963	1.4
175.09767	0.6
175.99730	0.5
176.07034	0.8
179.07065	0.6
180.10349	0.7
183.06747	0.6
184.07573	3.6
188.07069	62.0
189.07300	0.7
191.03343	0.6
192.03761	1.7
192.06560	59.2
193.05052	1.4
193.06717	0.7
196.07594	3.6
196.09605	0.7
197.98097	0.5
204.06628	1.8
212.07063	10.3
216.06580	8.7
224.06969	1.7
225.11786	0.6
230.07782	0.6
234.07622	12.4
240.06534	2.0
242.08156	1.7
254.08217	2.8
258.07712	4.0
270.07599	6.1
282.07571	1.6
300.08777	2.1
318.09692	1.2
336.10825	1.5
354.11954	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56618	1.9
53.03952	2.6
55.05507	13.3
55.18223	1.7
55.39772	1.6
57.03425	6.7
57.07069	3.7
60.35530	1.5
65.03928	2.4
67.05507	94.2
69.07063	10.7
69.80979	9.3
71.04993	3.3
71.08624	1.8
79.05492	47.4
81.07056	92.2
83.08611	8.7
85.06538	2.5
91.05486	21.1
92.44286	1.7
93.07046	51.4
95.04990	2.5
95.08607	62.6
97.06525	2.8
97.10153	5.6
98.20811	1.8
105.07026	18.0
107.08591	40.9
109.10152	34.1
111.08099	2.1
111.11715	2.3
113.09666	2.1
117.07019	11.1
119.08558	12.6
121.10151	29.0
123.11683	17.3
131.08568	21.2
133.10127	12.4
135.11690	27.1
137.13245	6.7
137.98445	1.6
145.10132	17.1
147.11711	11.2
149.13248	19.5
158.78510	1.8
159.11710	16.0
161.13283	8.6
163.14832	15.8
164.42822	1.8
173.13260	16.2
175.14809	4.1
177.16406	3.1
187.14818	7.9
188.21329	1.7
201.16367	3.6
202.45096	1.7
233.22704	3.5
243.21091	27.9
261.22144	100.0
262.22305	2.0
279.23163	3.8
335.25714	7.9
353.26886	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.05517	13.2
57.03438	4.6
57.07100	3.4
60.11802	1.5
62.85257	1.4
67.05508	82.3
67.60500	1.5
69.07069	11.2
70.96046	2.9
70.96385	2.1
71.04995	2.9
71.08632	2.9
79.05074	2.7
79.05499	39.6
81.07060	79.1
83.08620	6.1
85.06545	2.2
91.05492	19.8
93.07048	51.9
95.04967	1.7
95.08614	64.4
97.06550	2.4
97.10191	4.2
105.07029	15.9
107.08604	37.8
109.06544	1.9
109.10172	32.0
111.08044	2.1
117.07025	6.9
119.08584	13.0
121.10145	32.3
123.11700	18.4
131.08580	21.9
133.07498	1.5
133.10147	12.6
135.11697	29.3
137.13245	8.7
140.23376	1.7
145.10124	13.0
147.11691	9.1
149.09660	2.1
149.13269	20.2
151.11194	1.8
151.14850	2.7
153.12785	1.9
159.11700	16.8
161.13245	8.3
163.14825	14.4
165.12788	1.9
173.13260	15.2
175.14897	3.7
177.16383	4.7
187.14902	9.5
191.14243	1.7
201.16411	3.2
201.73982	1.7
205.15909	3.0
224.05577	1.5
233.22659	4.6
243.21109	27.3
261.22153	100.0
279.23209	4.4
335.25903	9.8
353.22940	2.9
353.26920	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.05519	14.0
56.68776	2.0
57.03439	4.6
57.07075	2.3
65.03918	3.2
67.05511	82.0
69.07058	11.1
69.69858	11.9
71.04977	3.3
75.04518	2.1
75.68956	1.8
79.05078	3.1
79.05499	45.6
81.03408	1.7
81.07063	94.0
83.08603	6.1
91.05487	17.1
93.06496	3.4
93.07050	58.0
95.08613	72.3
97.06522	3.4
97.10163	3.1
99.08086	3.0
105.07020	14.8
107.08601	35.9
109.10176	31.2
111.08078	2.6
113.09652	2.4
117.07011	7.4
119.08607	13.2
119.61797	1.8
121.10165	32.6
123.11701	17.5
131.08566	18.2
133.10161	11.9
135.11716	36.5
137.09567	2.6
137.13280	9.4
145.10164	14.1
147.11687	11.1
149.13272	21.5
151.14757	2.4
159.11711	13.9
161.13251	8.7
163.14821	11.5
165.12746	2.3
169.07732	1.8
173.13298	17.6
175.14859	3.9
177.16405	5.3
179.14352	2.4
187.14822	12.5
193.53995	2.1
201.16386	5.0
224.96297	2.0
233.22580	4.0
243.21126	28.5
261.22156	100.0
262.22620	2.4
279.23270	6.0
335.25824	10.6
353.26895	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.63939	1.6
55.05509	15.2
57.03424	7.7
57.07064	5.9
65.03940	4.0
67.05508	88.9
69.07081	13.7
69.65939	2.9
69.66340	7.5
71.05001	2.5
74.84918	1.8
75.04432	2.0
79.05075	3.6
79.05495	44.0
81.07061	99.7
83.04979	2.5
83.08614	9.5
85.06522	3.5
88.83378	1.9
91.05482	19.9
93.07049	52.2
95.04967	2.0
95.08614	75.6
97.06542	4.0
97.10168	2.1
99.08086	2.4
105.07034	14.1
107.08600	36.5
109.06554	2.1
109.10165	38.8
117.07024	7.7
119.08563	11.1
121.10149	32.3
123.08118	3.0
123.11720	22.8
131.08578	24.2
133.10150	10.9
135.11690	24.6
137.13232	9.3
145.10152	16.2
147.11705	9.8
149.13263	19.1
159.11691	15.9
161.13245	13.0
163.14812	13.3
173.13277	14.5
175.14870	3.6
177.16403	4.9
187.14836	11.5
201.16397	3.3
233.22589	3.9
243.21071	25.0
261.22150	100.0
279.23160	6.8
335.25784	15.4
338.86502	2.3
353.26892	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.5
54.25430	1.7
55.01866	3.6
55.02114	1.7
55.05515	34.1
57.03445	16.9
57.07084	8.9
65.03931	2.6
67.05511	71.5
69.03370	1.9
69.07077	43.3
69.72743	5.5
69.73151	4.2
71.04964	6.1
71.08635	45.3
72.26247	1.8
79.05498	37.3
81.07059	80.5
83.04950	5.2
83.08628	21.2
85.06516	5.7
91.05487	17.4
93.06512	2.8
93.07052	39.1
95.04976	2.3
95.08616	58.1
97.06551	9.1
97.07050	1.9
97.10170	18.9
99.07519	2.2
99.08099	35.8
105.07035	13.2
107.08601	32.0
109.06466	2.0
109.09486	1.9
109.10159	30.0
111.08061	4.5
111.11703	1.7
113.09606	3.7
117.06978	6.7
119.08591	10.3
121.10149	17.6
123.08099	1.8
123.11737	10.6
125.09633	12.3
127.11166	2.3
131.08569	8.4
133.10094	6.5
135.08037	2.0
135.11700	23.8
137.13210	7.6
145.10081	6.3
147.11719	19.0
149.02299	3.8
149.13251	11.9
151.14792	4.2
153.12720	6.6
155.10677	1.7
159.11615	6.0
161.13203	6.8
163.11093	3.2
163.14819	12.1
165.12691	6.4
167.14180	2.6
173.11792	3.4
173.13196	7.4
175.14725	2.8
177.16374	2.5
181.15819	5.3
187.14775	4.7
189.11168	9.7
193.03288	2.0
193.04959	7.5
233.22556	4.5
243.17271	1.8
243.21123	16.5
261.22159	36.4
279.20398	2.3
279.23206	33.1
284.29361	1.7
335.25681	4.8
353.26657	100.0
353.79218	2.3
354.26956	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2692
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.54354	1.4
53.03948	4.5
55.01860	1.5
55.05519	11.7
55.34377	1.6
57.03441	4.0
57.07075	5.6
63.20385	1.8
65.03922	1.7
67.05517	85.7
69.07071	12.5
69.58616	1.4
71.04986	2.2
71.08648	3.9
71.46595	1.8
75.04492	1.9
79.05505	47.4
81.07069	88.4
83.04984	1.8
83.08638	10.3
83.09052	1.7
85.06554	5.3
91.05493	22.8
93.07053	67.3
95.04957	2.3
95.08619	62.9
97.06531	3.9
97.10187	4.1
99.08103	5.1
105.07045	20.6
107.04947	1.8
107.08610	41.0
109.06445	1.9
109.10174	26.0
111.08087	3.2
113.09689	2.0
117.07045	10.8
119.08576	14.1
121.10161	29.7
123.11726	14.2
131.08585	20.3
133.10150	11.2
135.11716	25.6
137.13275	8.0
143.08434	1.5
145.10153	13.7
147.11710	13.9
149.13261	24.0
151.14883	3.7
153.12794	2.9
156.64050	1.5
159.11722	12.4
161.13300	12.5
163.11285	2.2
163.14845	18.9
165.12744	2.4
167.14291	1.6
169.41586	1.7
173.13306	16.6
175.14841	3.2
177.12782	2.0
177.16342	10.5
182.68704	1.4
184.23761	1.4
187.14803	10.2
201.16394	3.2
233.22693	10.6
243.21118	34.9
257.94281	1.8
261.22174	100.0
262.22574	1.6
279.23218	4.2
329.24200	1.5
335.25763	12.4
353.26816	10.6
375.21149	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82169	1.6
53.03944	2.8
55.01884	1.9
55.05517	15.7
57.03437	2.5
57.07072	5.9
65.03939	1.9
67.05508	81.1
69.07075	10.8
71.08615	5.5
71.21404	2.7
79.05499	55.4
81.07060	86.4
82.07402	2.0
83.04974	2.1
83.08616	10.0
85.06530	2.8
85.17611	1.5
91.05485	24.2
93.07047	67.2
95.04960	4.3
95.08613	68.1
97.06512	3.4
97.10188	3.3
98.20901	1.8
99.08097	5.3
105.07041	22.9
107.08595	42.9
109.10159	25.4
113.09681	2.3
117.07024	8.9
119.08588	15.0
121.10157	28.0
123.11686	12.0
123.59648	1.6
125.09640	1.9
131.08609	18.1
133.10130	12.0
135.11705	25.0
137.13240	5.4
145.10120	16.2
147.11703	14.7
149.09644	1.9
149.13277	22.4
149.14409	2.5
151.11168	2.4
151.14861	4.5
153.12805	2.3
159.11708	14.8
161.13258	11.6
163.11278	1.7
163.14839	19.2
173.13264	15.6
175.14835	3.4
177.12801	2.0
177.16389	7.4
179.14322	2.2
185.59976	1.6
187.14867	11.2
201.16447	2.8
233.22636	6.2
243.21089	37.3
261.22159	100.0
279.22748	1.8
280.51083	1.9
293.23370	2.1
311.23972	3.0
335.25800	9.6
353.26376	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05507	12.7
57.03436	9.0
57.07079	3.4
65.03947	2.9
67.05507	94.9
69.07069	15.1
70.56554	4.5
70.56891	2.7
79.05499	43.0
81.07059	100.0
83.08621	9.5
91.05479	20.5
93.07047	62.8
95.08614	77.6
97.06522	3.6
97.10181	2.8
98.21507	2.6
105.07059	16.6
107.08610	37.8
109.06538	2.2
109.10164	41.2
112.71795	2.2
117.07023	8.3
119.08564	13.0
121.10148	38.9
123.08102	2.7
123.11713	28.2
128.31662	2.6
131.08559	19.2
133.10138	10.0
135.11711	25.6
137.13275	8.5
145.10112	14.7
147.11674	11.6
149.13263	22.4
151.14763	3.9
159.11716	14.5
161.13286	10.7
162.45526	2.3
163.14809	12.2
173.13266	14.4
175.14838	3.5
177.16441	3.5
187.14900	11.6
233.18933	2.1
233.22615	5.0
243.21104	28.3
244.08174	2.2
256.91611	2.5
261.22147	99.4
279.23190	6.3
335.25827	14.7
353.26923	32.4
356.49792	2.5
363.13907	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01858	0.7
55.05519	2.7
55.58846	0.4
56.05032	0.8
57.03421	1.6
57.07083	0.6
60.04523	0.5
60.65329	0.5
61.02924	1.2
67.05500	1.7
69.03436	16.6
69.07076	13.8
69.98393	0.9
69.98776	1.0
70.06252	0.7
70.06598	7.4
71.04998	1.5
71.33946	0.5
72.08160	3.9
73.02909	1.0
74.06046	0.7
79.05491	2.7
81.03423	2.4
81.07057	4.9
83.04990	2.3
83.08627	3.9
84.04501	2.1
84.08151	3.9
85.02908	11.2
85.06537	1.1
86.09708	8.6
87.04500	0.6
87.05618	0.6
87.10044	2.0
89.03916	0.8
91.05495	3.4
93.07050	4.1
95.04972	1.0
95.08615	6.0
97.02885	2.8
97.06513	1.6
99.04453	0.7
101.09643	0.8
102.05539	0.8
105.07043	5.1
107.08597	10.1
109.02846	1.1
109.06545	2.4
109.10141	1.1
110.07207	2.5
111.08092	4.2
115.03954	0.7
116.07098	0.7
117.03425	0.8
117.07016	0.8
119.04993	0.5
119.08592	5.5
120.08125	1.0
121.06498	2.1
121.10149	6.8
123.04446	0.5
123.08071	3.6
127.03934	3.3
129.07054	0.8
129.10249	2.0
131.08566	7.7
131.55055	0.5
133.06490	0.8
133.10141	7.2
135.04535	0.6
135.08060	15.0
135.11682	2.9
136.07610	2.3
137.07915	0.7
139.68616	0.5
143.08540	1.4
143.11827	2.9
144.12108	1.3
145.02852	1.9
145.04959	0.9
145.10109	3.1
147.04428	1.0
147.08026	0.8
147.11693	3.9
148.08852	0.6
149.05994	0.7
149.09619	6.9
149.13268	3.0
158.10907	3.5
160.93030	0.5
161.09569	0.6
163.03885	1.4
163.11150	0.5
163.14847	4.7
171.11452	0.6
173.13278	18.1
175.14868	1.3
177.05486	4.6
178.03200	1.0
182.08153	1.0
183.08492	0.8
191.14322	100.0
192.14760	1.2
207.08444	0.7
224.11281	0.7
229.25581	0.4
251.61674	0.5
315.37555	0.5
316.02893	0.5
353.12207	4.7
353.19592	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	353.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82947	0.3
54.78396	0.2
69.83141	1.2
69.97950	0.3
98.21481	0.5
133.81747	0.2
145.02901	0.2
177.05550	0.4
235.13062	0.3
251.34641	0.3
288.64545	0.3
335.22076	0.7
353.22986	100.0
354.23416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.4
55.01872	3.2
55.05490	2.6
56.05029	4.0
56.96560	3.2
60.04512	3.4
60.47917	1.4
61.02925	8.6
68.99781	8.3
69.00792	1.3
69.03427	4.4
69.07064	4.0
69.61387	7.9
70.06220	2.1
70.06595	43.2
71.05004	1.9
71.06891	2.2
71.20673	1.5
72.08153	21.5
73.08469	2.0
74.06078	1.8
79.05457	1.7
81.03398	2.7
84.04511	18.2
84.08150	26.0
85.02914	8.7
85.04817	2.2
86.09705	12.7
87.00845	9.6
88.03989	3.0
91.05479	6.3
93.07054	2.0
97.02890	6.0
98.06036	2.3
98.21504	2.0
98.97582	3.8
101.07142	2.1
102.05531	6.6
103.05455	1.9
105.01860	1.9
105.07055	3.1
109.02856	2.8
110.07178	8.8
111.04441	17.3
112.08706	2.1
112.11257	1.8
115.05466	11.3
116.07076	4.2
117.03372	2.1
119.04955	7.8
120.08102	20.3
121.02901	2.0
121.08458	13.1
123.04395	2.2
127.03803	1.6
127.08661	3.7
129.01834	9.4
129.10248	12.8
130.04985	3.1
130.08737	1.8
131.04916	3.3
133.02821	3.6
133.06454	4.3
133.95378	1.5
135.04388	4.9
136.07562	5.1
137.05986	4.2
139.03896	19.5
140.04585	2.2
141.06610	2.8
143.04890	8.0
143.11852	4.4
145.02829	2.4
146.06004	16.0
147.02908	4.7
147.04402	19.6
149.05948	2.6
151.07513	2.2
153.05508	2.3
159.04427	3.3
159.07620	3.8
160.05180	3.8
161.05937	10.8
162.03114	5.6
163.03886	9.1
165.05453	3.9
166.08644	6.4
167.03394	8.0
167.09030	3.6
167.27214	1.5
171.04449	11.0
171.11287	1.9
173.09193	1.5
174.05519	3.9
175.03928	4.3
175.07574	4.7
177.05473	54.7
178.06158	1.5
179.07016	5.6
183.08443	2.0
188.04657	3.8
188.07149	5.9
189.05515	8.6
189.08736	2.2
191.03299	2.6
191.07068	6.3
192.06537	6.6
199.03932	10.3
203.07021	28.8
205.04950	5.6
207.06503	17.8
217.04973	12.3
220.15196	2.0
221.08107	2.1
231.06543	32.6
249.07599	100.0
267.08649	2.7
317.11215	2.5
335.07410	2.0
335.12488	2.5
338.86682	2.0
353.08420	12.7
353.12299	5.4
353.17554	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.4
55.84005	0.7
56.05032	1.3
57.05796	0.5
57.07073	0.7
60.04526	16.3
69.07073	0.9
70.06596	6.3
71.05002	0.9
71.52141	1.2
72.08158	60.2
72.69598	0.6
79.05489	1.4
84.04494	2.0
84.08140	5.2
86.09711	7.1
87.05589	12.9
89.03922	1.3
91.05476	2.5
93.07025	1.5
95.08614	1.0
96.08129	2.2
98.06030	0.7
98.09715	0.8
103.05471	1.3
104.07105	0.7
107.04961	0.9
109.10148	1.5
110.07165	1.4
112.11227	1.0
113.05972	1.0
114.09167	18.4
117.03358	3.3
118.03716	0.9
119.04933	1.6
120.08108	28.8
123.09088	0.6
129.09230	0.7
129.10202	3.2
130.04994	0.6
135.04367	0.7
136.07581	12.0
137.05939	0.7
138.05510	0.9
140.15564	0.7
142.08667	0.7
145.02864	7.9
146.03171	2.5
147.04343	1.0
149.05980	1.3
155.10698	2.2
159.11293	100.0
163.03896	3.1
166.08649	15.6
170.06194	0.8
173.11731	3.8
173.13042	0.7
176.10838	1.3
177.05479	10.9
178.05870	4.2
187.10780	37.1
193.09734	5.2
205.11848	0.9
207.11304	2.1
221.09174	2.0
221.12885	0.9
265.15414	1.0
298.45984	0.7
304.50204	0.7
352.12302	1.1
352.22174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2847
Annotation	Melophlin E
Peak:m/z	Relative Intensity
51.13476	0.5
52.97820	0.5
53.03946	0.8
55.05513	5.2
57.07075	2.3
65.03933	0.9
67.05509	19.2
69.07063	5.1
69.29395	4.8
71.08632	1.6
79.05499	4.6
81.07059	23.7
83.08641	3.9
85.10181	0.6
90.05560	100.0
90.36003	0.5
91.05481	4.4
93.07040	6.6
95.08607	18.2
97.06530	2.0
97.10178	2.3
105.07018	3.1
107.08604	3.5
109.10164	7.2
111.08045	0.8
117.94875	0.5
119.08553	2.5
121.10168	2.7
123.11716	3.9
133.10149	3.2
135.11702	2.1
137.09630	0.6
137.13274	1.7
141.12662	0.7
147.11728	2.0
149.13268	2.3
151.14870	1.3
155.14392	0.7
155.70033	0.5
161.11987	0.6
161.13301	2.2
163.14818	2.3
165.16438	0.6
175.14825	1.0
179.18004	0.9
189.16454	0.7
245.22694	6.0
263.23682	5.9
306.28033	3.1
335.29837	0.7
352.28445	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21728	1.4
51.74776	1.5
53.03940	5.5
55.01862	4.0
55.05513	30.7
56.96571	3.8
57.03445	20.6
57.07067	6.0
59.04972	1.6
65.03928	3.8
67.05511	86.6
69.03439	2.7
69.07076	28.0
71.04977	4.8
71.08635	55.6
71.38450	3.4
73.06546	2.1
73.46783	1.5
76.13268	1.6
79.05501	66.0
79.05965	3.1
81.03427	8.2
81.07065	70.8
83.05000	9.5
83.08629	15.7
85.06541	6.1
91.05489	41.1
93.07048	84.5
95.04978	12.6
95.08617	52.5
97.06535	14.8
97.10163	10.9
99.07489	3.0
99.08099	37.6
105.07043	37.4
107.04950	8.3
107.08607	48.0
109.06512	4.7
109.10165	35.0
111.08089	3.2
113.09652	3.7
117.07002	8.2
119.08589	31.0
121.06522	2.5
121.10149	39.8
121.11459	1.6
122.10545	1.6
123.08072	3.2
123.11694	4.5
125.09642	8.5
127.11187	2.0
129.06985	4.4
131.08574	9.9
133.10143	28.4
135.08067	2.6
135.10712	2.8
135.11703	47.9
137.09625	6.2
137.50142	1.7
141.09105	3.6
143.08569	4.2
145.10164	10.3
147.11702	14.2
149.13283	19.6
151.11195	24.6
157.10068	4.2
159.11703	9.8
161.09576	1.7
161.13283	18.4
163.11174	6.1
163.14807	5.6
165.12753	4.0
167.00287	1.6
167.10706	2.3
171.11705	6.8
173.13260	5.2
175.14793	5.0
177.12778	4.3
179.14331	98.0
181.12302	2.5
185.13275	5.2
189.11238	3.8
189.12822	3.6
199.14775	3.9
209.15436	2.0
213.16409	3.6
217.15897	2.2
221.15355	4.4
235.16859	6.3
241.19583	9.2
258.21304	1.7
259.20593	26.4
277.21652	50.0
292.22748	2.7
293.20987	9.0
310.23749	1.8
333.24277	4.4
335.41956	2.2
349.16928	5.1
351.25287	100.0
352.25000	11.3
367.17831	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80489	0.6
55.05502	0.9
56.96567	2.3
59.32237	0.6
61.75296	0.5
67.05499	3.2
68.27898	0.6
69.07060	1.9
79.05499	3.2
81.07076	3.4
83.08630	0.8
91.05475	2.1
93.07022	2.9
94.04218	1.0
95.08633	3.0
98.97543	0.8
105.07030	2.6
105.24642	0.6
107.08609	2.7
109.10153	1.6
119.08633	1.2
121.10146	1.7
122.03651	2.4
123.11750	0.6
131.08548	0.6
133.10158	1.9
135.11694	1.8
137.05988	100.0
138.06372	0.8
145.74057	0.6
149.13257	0.8
151.11255	1.0
161.13260	1.7
170.15408	2.0
171.11703	0.7
173.09581	0.6
179.14369	1.0
182.15453	5.3
211.37245	0.7
228.94002	0.6
241.19225	0.7
243.09132	0.9
257.45081	0.6
259.20569	1.8
277.21643	1.5
287.57651	0.6
306.20709	6.7
333.17297	3.7
351.18195	7.4
351.25491	2.7
369.19699	2.0
374.20154	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32317	0.6
55.05505	1.6
56.05028	1.0
57.03698	0.6
60.04539	3.3
69.03413	0.7
69.07058	0.6
70.02951	0.7
70.06593	4.7
71.51408	0.5
72.08161	9.8
84.04516	1.3
84.08135	4.4
85.02869	0.8
86.09712	17.9
87.05620	2.5
88.03991	0.7
89.03915	0.8
91.05488	8.7
93.07049	0.6
102.05513	0.5
103.05493	0.6
105.07005	0.9
107.04985	1.2
110.07168	1.7
112.11223	1.4
116.07109	0.9
117.03384	1.0
119.04952	9.8
120.08114	20.9
120.08962	1.3
121.06495	0.7
129.10248	2.1
129.13885	0.8
132.10217	6.3
136.06282	4.5
136.07587	100.0
137.06059	0.6
137.07938	0.9
137.09575	0.5
144.08089	3.1
145.02849	1.4
147.04465	1.0
148.07591	1.3
155.10724	0.9
162.09198	3.5
163.03914	4.0
164.07114	0.6
166.08717	1.5
176.07178	0.6
177.05563	1.5
185.08199	0.6
187.10838	1.7
189.12393	0.8
193.09744	56.0
202.10959	0.6
207.11314	17.6
209.12886	0.6
209.29497	0.5
220.11946	6.2
221.09233	13.8
235.10825	4.5
253.11845	1.3
265.15735	0.7
295.16574	1.1
352.13461	0.8
352.18335	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72594	2.3
53.03933	6.7
53.34611	2.4
55.01872	6.8
55.05511	24.9
55.15271	1.9
57.03443	26.5
57.07073	6.4
65.03938	4.1
66.56310	2.3
67.05509	73.1
69.03430	2.9
69.07076	24.6
69.98004	7.6
69.98382	4.7
71.04972	4.2
71.08637	50.7
79.05071	3.9
79.05497	54.8
81.03414	6.5
81.06591	4.7
81.07061	79.7
83.04974	10.5
83.08617	17.2
85.06528	4.6
91.05487	44.5
93.07050	88.4
95.04975	13.8
95.08614	57.0
97.06517	11.3
97.10168	6.5
98.21577	2.9
99.08098	33.5
105.07029	36.6
107.04951	9.4
107.08594	46.7
109.06528	3.8
109.10161	24.5
111.08086	6.1
117.07011	7.6
119.08594	34.0
121.10161	37.0
123.08081	3.4
123.11727	5.7
129.07042	4.0
130.42397	2.2
131.08580	11.6
133.10144	30.8
135.11700	40.8
137.09601	6.5
141.09114	2.8
143.08586	4.9
145.10126	10.2
147.11707	16.7
149.09698	2.5
149.13283	20.2
151.11212	18.8
157.10133	4.5
159.11632	10.9
161.13266	21.7
163.11205	5.6
163.14799	5.3
165.12755	2.7
167.10774	4.6
167.97485	2.3
171.11746	7.0
173.13264	7.2
175.14864	6.3
177.12767	3.9
179.14316	100.0
185.13327	3.9
187.14784	4.1
189.12694	2.8
199.14845	3.7
221.15433	3.5
235.17038	5.7
241.19513	12.0
259.20633	38.4
276.62384	2.6
277.21637	55.1
333.23865	2.8
351.25308	91.6
352.25104	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01863	6.2
55.05275	2.3
55.05513	31.4
57.03198	1.8
57.03444	16.7
57.07058	3.1
61.02917	3.0
65.03924	3.3
67.05506	73.6
69.03433	2.4
69.07075	24.9
69.86059	9.3
71.04984	3.5
71.08636	49.3
79.05495	57.5
81.03407	7.6
81.06599	3.7
81.07059	68.1
83.04993	12.8
83.08625	15.1
85.02914	3.0
85.06530	4.6
91.03994	1.9
91.05482	42.9
93.07046	77.3
95.04954	10.9
95.08610	48.3
97.02850	4.4
97.06521	11.1
97.10165	8.5
98.21467	2.2
99.07507	2.2
99.08103	32.2
105.07034	37.8
107.04964	8.8
107.08594	39.0
109.06506	6.3
109.10156	27.2
111.08065	3.4
113.09644	5.5
117.07014	8.6
119.08585	27.6
119.60471	1.7
121.10149	29.6
123.08112	2.2
123.11674	4.0
125.09608	3.7
129.07008	3.8
131.08580	8.1
133.03442	5.7
133.10136	21.7
135.11693	45.6
137.09599	5.7
139.04271	2.4
139.11183	2.3
141.09132	1.8
143.08527	5.4
145.10091	7.2
147.11702	20.7
149.09590	4.5
149.13254	18.2
151.11192	20.8
153.12823	2.2
157.10133	3.7
157.83325	1.7
159.11696	7.8
161.13258	19.4
163.11169	7.9
163.14833	4.0
165.12746	7.5
171.11714	5.7
173.13278	6.6
175.14827	4.5
177.12755	6.1
177.24133	1.7
179.14317	100.0
181.12270	2.7
185.13245	6.1
189.11169	2.7
189.12683	2.7
199.14777	5.7
213.16338	2.8
231.21008	2.9
235.16924	5.7
241.19553	11.1
259.20578	28.9
270.15799	4.3
277.21634	52.4
283.03391	1.9
289.21774	2.0
303.21713	2.6
321.22913	2.7
351.18362	4.2
351.25287	93.5
352.25330	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34235	1.3
50.78963	1.4
53.03939	3.8
55.05515	16.0
56.96560	2.6
57.03425	5.9
57.07083	4.4
61.25985	1.3
65.03934	3.3
67.05508	43.9
69.07067	15.1
70.63763	4.2
71.05001	2.8
75.04449	2.5
79.05498	62.5
81.07060	49.4
81.20932	1.5
83.04994	2.2
83.08611	6.4
85.06541	4.0
86.74552	1.5
91.05486	66.0
93.07049	79.1
95.04968	5.5
95.08611	34.9
97.06527	3.3
97.10197	2.0
99.08103	4.2
105.07036	64.8
107.08604	44.0
109.06515	3.9
109.10150	13.7
112.85439	1.6
113.09675	2.2
115.05413	1.8
117.07021	13.5
119.08586	55.3
121.10141	33.6
121.15482	1.5
123.11736	2.5
125.09594	2.0
129.07001	8.3
131.08583	22.9
133.03484	2.7
133.10136	53.3
135.11700	35.8
137.09630	2.2
143.08537	10.6
145.10138	23.3
147.11696	49.3
149.09668	3.5
149.13258	24.8
157.10120	10.3
159.11720	19.8
161.13272	36.9
163.11163	3.3
163.14824	5.6
164.95062	1.6
165.12720	3.0
171.11708	15.1
172.12196	1.9
173.13278	13.5
175.11229	1.9
175.14842	12.5
177.12720	2.0
179.14200	1.7
185.13297	14.4
187.14815	4.2
189.12770	2.2
191.14249	1.9
199.14836	6.8
201.16478	1.8
203.14313	2.8
212.05151	1.5
213.16388	3.7
217.05568	2.5
217.15834	2.7
231.17410	3.1
231.21034	9.1
241.19502	36.1
259.20584	100.0
260.21060	2.0
277.21692	4.0
295.08862	2.1
333.24341	3.6
351.18146	5.3
351.21875	2.7
351.25302	76.8
352.25812	2.2
369.19678	2.0
370.49695	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01867	4.5
55.05508	17.7
57.03421	9.3
57.07063	3.6
64.92556	2.1
66.41283	1.9
67.05508	56.0
68.45055	2.3
69.03448	2.0
69.07069	20.6
70.37683	6.5
71.04984	3.4
72.10183	2.5
72.43797	2.0
73.71007	2.4
75.04443	2.6
79.05495	68.3
81.03411	3.7
81.06599	2.8
81.07058	55.8
83.04980	2.4
83.08605	8.1
83.15591	2.1
91.05485	50.3
93.07049	100.0
95.04954	6.3
95.08068	3.3
95.08613	45.1
97.06522	4.2
97.10133	4.0
98.21394	2.9
99.08083	4.3
104.22236	2.2
105.07034	54.6
107.08599	51.7
109.06494	7.5
109.10181	17.6
111.04422	6.4
111.08056	3.8
113.09599	3.2
117.07034	10.5
119.08596	43.2
121.09350	2.7
121.10155	39.5
122.28084	2.3
123.08053	6.1
123.11703	5.2
125.09573	2.4
129.07004	5.2
131.08551	19.7
133.10144	49.1
135.10695	4.1
135.11690	49.2
137.05981	33.7
137.09586	4.2
143.08540	10.1
145.10135	25.9
147.11688	47.3
149.09601	3.5
149.13277	23.5
151.11200	4.7
157.10086	9.7
159.11696	23.3
161.09572	2.7
161.13254	31.5
163.14787	10.3
171.11688	11.9
173.13275	16.2
175.14819	16.4
177.12727	4.2
179.14279	3.8
185.13271	9.9
189.12720	2.8
192.19821	2.4
199.14822	2.8
201.16333	3.3
213.16393	5.5
226.96207	2.2
229.06178	2.4
231.17499	5.3
231.21051	8.8
241.19476	30.6
249.18480	3.1
259.20572	86.5
277.18295	16.9
277.21246	15.2
333.24402	11.9
339.88751	3.0
351.21707	6.2
351.25259	92.9
369.19049	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.6
53.03932	3.6
55.05517	15.9
57.03428	6.6
61.22364	2.1
67.05508	40.3
69.07066	18.5
71.51485	3.0
75.04490	3.4
79.05495	58.2
81.07056	53.8
83.08598	7.1
89.11070	2.0
91.05483	47.2
93.07047	77.8
95.04995	3.1
95.08060	3.6
95.08604	38.1
95.09540	2.0
96.89502	1.9
97.06501	3.0
97.10153	3.3
99.08079	3.6
105.07034	53.0
107.08601	48.9
109.06535	2.7
109.10148	12.0
111.06413	2.1
117.07026	12.4
119.08582	46.4
119.11484	2.1
121.10162	32.6
123.08057	2.6
123.11713	4.6
125.09624	2.0
129.07024	6.6
129.43568	2.3
131.08580	19.0
133.10135	44.1
135.08089	2.3
135.11699	34.7
137.09663	2.5
143.08572	7.3
145.10114	19.1
147.11685	44.1
149.09703	2.5
149.13274	23.4
151.11136	2.6
157.10129	9.2
159.11716	20.8
161.13255	27.9
163.11102	3.0
163.14803	7.0
171.11694	11.6
173.13290	10.4
175.14871	13.2
177.12766	4.7
177.16460	3.4
179.14247	2.3
185.13277	12.6
187.14871	2.5
199.14885	8.6
201.16382	4.8
203.14299	3.1
213.16425	6.7
231.21103	8.7
241.19502	30.5
259.20587	100.0
277.21735	10.4
286.86926	2.3
333.24240	8.9
351.25305	74.4
351.29770	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2141
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
71.45353	0.8
71.45709	0.7
81.07034	0.8
91.77254	0.7
103.72494	0.5
132.52312	0.6
140.18227	0.5
160.97037	0.5
204.34319	0.6
228.47810	0.7
351.21426	100.0
352.21521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16250	0.4
55.05508	0.6
56.96558	1.6
57.07074	3.4
58.06605	1.9
60.04505	1.4
67.05505	0.5
68.05025	0.5
69.07057	0.4
70.06595	18.7
70.18832	1.3
71.06928	0.4
71.08644	2.1
72.08151	2.9
79.05474	0.5
79.11752	0.4
81.07043	0.9
83.08586	0.4
84.08142	4.6
84.96075	0.4
86.09709	5.8
88.07635	2.4
89.03910	1.1
89.06024	1.8
91.05478	0.9
93.07036	0.8
95.08641	0.4
105.07038	0.7
107.04955	0.6
107.08630	0.4
110.07186	0.6
111.12667	0.3
114.09189	1.9
117.03381	2.3
119.08574	0.4
120.08118	0.7
121.06429	0.6
121.10173	0.4
129.10286	0.5
131.04895	0.4
132.10210	6.4
133.10133	0.4
134.03633	0.4
137.06087	0.4
145.02844	4.1
145.10034	0.4
146.10667	0.7
146.11755	6.2
146.12817	0.6
146.66956	0.4
156.17432	2.9
161.13264	0.5
164.07088	2.4
170.99818	0.4
176.12822	1.6
177.05481	8.9
178.05774	0.8
182.19032	1.7
186.99139	0.6
190.14410	0.9
200.20059	2.0
207.03433	0.8
212.80968	0.4
225.04347	0.6
244.22737	38.7
245.23080	0.5
258.79602	0.4
269.03397	0.5
288.25339	15.7
298.05048	0.4
312.16330	0.4
331.08087	1.1
332.22189	2.0
332.27805	0.6
344.15030	0.5
347.42877	0.4
350.29019	100.0
351.29218	1.1
355.12225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1229
Annotation	Indicanine C
Peak:m/z	Relative Intensity
55.05460	0.5
57.93267	0.4
58.48701	0.4
58.71284	0.5
60.04433	3.4
66.54467	0.5
67.05418	0.8
70.06507	1.2
70.20600	1.4
72.08100	0.7
73.08421	0.4
74.85948	0.4
79.05418	0.5
81.06959	1.1
84.08045	1.5
85.02790	0.6
86.09612	1.2
87.62811	0.4
91.05399	1.1
93.06966	0.8
95.04906	0.5
95.08521	0.8
98.97478	0.9
105.06979	0.9
107.04899	0.5
107.08489	0.7
110.07030	0.5
116.07020	0.5
120.07983	1.4
121.10020	0.5
129.10086	0.4
131.04839	1.0
133.10081	0.5
137.05853	0.5
145.02789	1.1
147.04347	0.9
159.11426	0.4
177.05524	2.9
177.06894	0.8
189.06923	1.6
190.07671	1.3
191.08508	1.0
199.07501	0.5
201.07028	0.5
202.07787	5.2
203.08559	3.9
204.09232	0.6
205.06544	2.9
206.07184	0.7
213.06996	0.6
215.08508	1.9
217.06558	0.6
218.07275	2.7
218.77357	0.5
219.06216	0.6
219.08063	6.1
220.08759	3.8
221.09320	0.4
229.06377	1.0
230.07257	5.8
231.08064	10.6
232.08788	2.6
233.05962	2.9
233.09601	1.0
234.06677	0.9
235.11197	0.8
242.07292	1.0
243.08081	0.8
245.05988	1.7
245.09573	1.5
246.06786	3.7
247.07559	9.6
248.08336	8.4
249.08958	1.2
250.06256	0.6
258.06750	4.6
259.07578	8.3
260.08286	4.2
261.05548	4.6
261.09027	2.6
262.06192	1.6
262.09830	0.8
263.07123	0.5
263.10593	2.9
265.05035	0.6
265.08591	1.8
273.05948	1.0
273.09113	16.4
274.06198	3.0
274.09692	1.3
275.07062	6.6
276.07837	16.6
277.08542	3.6
286.05954	0.6
287.06998	1.6
288.07745	1.2
289.04926	3.0
289.08554	7.8
289.11606	0.7
290.05740	1.3
290.09314	13.2
291.10172	12.9
292.07193	0.4
293.08078	3.0
301.05896	0.4
301.08609	9.3
303.06555	1.0
304.07297	12.6
305.08035	7.5
307.09476	0.6
308.06757	1.0
308.10327	0.8
311.86758	0.4
315.27353	0.5
318.08871	1.4
319.09659	100.0
320.10400	13.0
321.07562	1.0
323.09155	0.7
323.12622	1.0
333.28253	1.4
334.12167	0.6
336.09824	2.2
351.12308	53.0
351.29227	2.4
352.12659	1.3
364.83774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05506	1.2
56.05040	1.0
56.96560	1.5
60.04527	1.1
62.10991	0.6
67.05513	0.7
69.07063	0.8
69.88459	2.6
70.06596	9.4
71.04973	0.6
72.08148	3.7
72.90672	0.6
74.46239	0.6
75.99177	0.5
76.02220	0.8
79.05505	0.8
84.04504	2.3
84.08139	6.0
86.09705	100.0
87.10033	0.8
89.03913	0.7
89.95392	0.6
91.05476	2.7
93.07052	1.2
98.97554	0.8
100.11226	1.7
102.05557	0.9
103.05472	2.2
107.04931	1.6
110.07171	1.3
110.48557	0.6
111.04471	0.6
116.07119	0.9
117.03394	0.8
120.08104	64.2
121.06525	1.5
129.10269	2.8
130.04988	1.0
131.04887	1.1
132.10204	1.9
137.05943	1.0
139.92442	0.6
145.02789	1.0
149.05992	2.7
150.06429	1.5
157.13364	61.6
159.11302	0.7
162.09196	1.0
163.03954	1.9
166.08644	14.4
177.05383	3.3
178.05869	2.1
178.08737	1.0
178.10425	0.6
181.05008	1.7
182.05302	1.5
185.12856	26.2
191.11787	14.6
203.13972	1.6
219.08119	0.7
219.11290	6.8
231.08116	1.2
232.08946	0.6
237.09262	1.1
264.07355	0.7
265.08286	1.7
266.06924	1.0
266.57126	1.0
272.10007	1.2
273.09286	1.0
275.07419	2.2
276.07834	0.9
277.23035	1.9
279.17020	3.6
281.07578	1.6
290.08939	0.7
293.07568	1.0
299.08527	0.9
301.08908	0.9
305.08371	1.8
305.58789	0.6
314.08728	0.6
319.09668	3.9
350.13156	6.1
350.19894	0.8
351.12360	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.0
56.05036	4.7
56.96582	0.9
60.04525	20.4
61.01143	2.7
61.08242	0.4
67.05511	1.1
69.03432	1.0
69.07068	7.0
70.02957	1.2
70.06593	21.8
71.04971	0.7
71.06966	0.5
71.51046	0.7
72.08157	6.5
74.06091	0.6
75.01012	0.4
76.04001	0.5
79.05505	0.7
79.83085	0.5
81.07057	0.9
83.04993	1.4
83.08619	1.6
84.04506	4.4
84.08144	5.4
85.02912	1.0
86.09705	79.8
87.04487	0.6
87.05589	11.6
87.10035	0.8
88.03982	0.9
91.05515	1.4
93.07043	1.3
95.04961	0.7
96.08108	1.0
97.02906	0.7
98.05959	0.6
98.97556	0.8
100.11293	0.8
101.07139	0.5
102.05550	1.3
104.05331	6.8
105.06582	3.2
107.04974	0.8
107.08600	1.0
109.06532	0.6
110.07164	2.5
110.09686	1.1
111.04462	0.5
112.08753	0.6
112.11263	1.5
116.07088	3.0
119.04923	0.9
119.08573	0.8
120.08091	4.4
121.10143	0.6
122.02713	1.2
127.08631	0.6
128.10715	13.0
129.10231	3.2
130.04976	0.6
130.06522	1.1
133.03204	4.6
135.04469	0.7
136.07584	0.8
137.05960	1.2
138.05458	0.8
138.09201	0.5
143.11821	0.6
145.02786	0.6
146.06035	1.1
147.04396	1.1
148.04681	0.5
149.05989	0.6
150.05835	16.4
151.07552	0.6
153.09128	0.9
155.11801	0.9
156.07645	0.7
158.06004	0.9
163.03893	1.0
171.10190	1.7
173.12857	100.0
174.13225	1.0
175.08669	1.2
177.05457	1.3
183.14919	0.5
201.12340	27.9
203.10295	2.4
204.10248	0.6
205.08936	0.7
207.11317	1.1
211.13301	0.8
221.09276	0.9
237.09009	2.3
238.08519	0.7
263.14224	1.8
286.11853	1.4
350.11862	0.8
350.16943	1.0
350.20477	1.5
350.26190	0.5
351.10544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
56.05029	0.6
56.96553	0.5
67.05507	0.7
68.05029	0.7
69.03432	0.8
69.07069	5.0
70.06597	8.6
71.24772	0.7
71.25096	0.5
72.08155	4.0
72.11823	0.5
74.06089	0.8
81.07079	0.8
82.60048	0.6
83.08611	0.5
83.63640	0.4
84.04507	1.6
84.08153	4.9
85.02898	1.1
86.09708	100.0
89.07128	0.5
91.05491	1.1
93.07057	1.9
93.24405	0.5
95.04957	0.5
95.08613	1.0
97.02878	0.8
97.06549	1.9
98.97609	0.7
100.11264	1.0
102.05450	0.6
103.05466	1.3
107.04972	0.7
107.08607	1.7
107.87006	0.4
108.04564	0.5
109.10146	0.8
110.07172	1.8
111.11715	0.5
114.09194	0.9
115.08678	0.9
116.07091	0.8
120.08107	36.2
128.07039	0.5
129.10204	2.5
130.06532	0.8
131.04926	0.7
132.10226	0.6
135.04456	0.8
135.11725	2.6
136.07600	0.8
137.05977	1.3
145.02922	0.5
149.06032	0.7
153.09123	0.5
153.12764	6.2
157.13370	58.0
163.03973	0.7
164.07137	0.9
166.08649	8.7
171.13824	4.3
177.05469	0.8
178.08594	2.2
181.04881	0.6
185.12866	22.6
187.08679	2.8
188.07150	0.5
191.11806	7.8
202.10999	7.7
202.12735	0.5
210.04836	0.5
219.11342	4.0
237.08546	0.8
252.63495	0.4
277.22839	1.2
279.17105	1.5
315.13342	1.0
332.16055	1.2
333.14600	2.4
350.09668	1.6
350.16055	3.3
350.20099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05506	1.2
56.05040	1.0
56.96560	1.5
60.04527	1.1
62.10991	0.6
67.05513	0.7
69.07063	0.8
69.88459	2.6
70.06596	9.4
71.04973	0.6
72.08148	3.7
72.90672	0.6
74.46239	0.6
75.99177	0.5
76.02220	0.8
79.05505	0.8
84.04504	2.3
84.08139	6.0
86.09705	100.0
87.10033	0.8
89.03913	0.7
89.95392	0.6
91.05476	2.7
93.07052	1.2
98.97554	0.8
100.11226	1.7
102.05557	0.9
103.05472	2.2
107.04931	1.6
110.07171	1.3
110.48557	0.6
111.04471	0.6
116.07119	0.9
117.03394	0.8
120.08104	64.2
121.06525	1.5
129.10269	2.8
130.04988	1.0
131.04887	1.1
132.10204	1.9
137.05943	1.0
139.92442	0.6
145.02789	1.0
149.05992	2.7
150.06429	1.5
157.13364	61.6
159.11302	0.7
162.09196	1.0
163.03954	1.9
166.08644	14.4
177.05383	3.3
178.05869	2.1
178.08737	1.0
178.10425	0.6
181.05008	1.7
182.05302	1.5
185.12856	26.2
191.11787	14.6
203.13972	1.6
219.08119	0.7
219.11290	6.8
231.08116	1.2
232.08946	0.6
237.09262	1.1
264.07355	0.7
265.08286	1.7
266.06924	1.0
266.57126	1.0
272.10007	1.2
273.09286	1.0
275.07419	2.2
276.07834	0.9
277.23035	1.9
279.17020	3.6
281.07578	1.6
290.08939	0.7
293.07568	1.0
299.08527	0.9
301.08908	0.9
305.08371	1.8
305.58789	0.6
314.08728	0.6
319.09668	3.9
350.13156	6.1
350.19894	0.8
351.12360	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.86470	0.4
55.05514	4.0
55.26699	0.4
56.43929	0.4
56.69160	0.4
57.07082	3.3
67.05248	0.4
67.05513	4.8
69.07070	6.7
71.04984	1.0
71.08620	1.8
71.51588	0.5
79.05498	2.7
81.07059	7.2
83.04950	0.6
83.08613	3.2
85.06532	1.9
91.05499	2.6
93.07050	4.2
95.04972	0.5
95.08607	6.6
96.06874	0.5
97.06531	1.2
97.10164	1.1
99.08074	0.8
105.07061	2.1
107.08620	4.2
109.06518	13.3
109.10139	2.9
111.08073	1.2
119.08572	3.3
120.31257	0.4
121.06505	0.5
121.10153	3.3
122.07317	0.8
123.08073	39.8
123.11695	1.4
131.08536	1.0
133.10135	2.5
135.08054	3.7
135.11699	1.6
137.09656	2.1
137.13315	0.6
145.10153	1.2
147.11667	1.4
149.09616	0.6
149.13220	1.1
159.11726	1.0
161.13287	0.9
165.12718	0.9
167.14336	0.6
173.13254	0.5
175.14815	0.6
179.14317	57.4
193.15932	1.7
193.29990	0.5
233.19061	0.6
263.23621	0.6
275.20236	0.6
289.25223	0.8
293.21118	8.7
296.81619	0.4
331.26422	2.2
349.27380	100.0
350.27731	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.3102
Annotation	5,6-di-Me-PDC
Peak:m/z	Relative Intensity
55.05507	1.5
57.07077	33.0
57.99715	0.7
58.17225	0.8
67.05488	0.8
69.07059	2.5
70.64379	2.2
71.08633	21.7
73.21425	0.7
81.07044	2.4
81.20016	0.7
83.08611	1.5
85.10184	10.7
89.06040	0.7
93.07037	1.3
95.08597	1.3
97.10181	0.8
98.21082	0.9
105.07034	1.1
109.06507	3.2
109.10165	1.2
111.04443	13.7
123.08066	13.0
133.10248	0.9
135.08037	1.2
137.09663	0.9
147.11641	0.8
154.55803	0.9
179.14322	12.3
231.91141	0.7
293.21140	2.4
348.33640	0.8
349.27261	23.0
349.31009	100.0
350.31326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
54.92772	1.7
55.01872	5.2
55.05529	2.1
56.78934	1.8
57.01778	2.0
57.03432	6.1
57.07086	2.7
61.02928	4.8
68.99792	3.1
69.03433	37.1
69.07081	3.0
69.89025	5.8
70.06609	9.2
71.04992	4.9
71.63130	2.1
72.08147	6.9
73.02914	5.5
77.40403	1.9
79.05493	2.7
81.02984	2.5
81.03429	21.7
81.07072	3.2
84.08158	4.6
85.02908	100.0
86.09709	19.4
87.00830	35.7
95.08606	1.9
97.02895	19.6
98.20839	2.6
99.04465	11.9
102.09188	58.4
103.03887	1.8
103.43191	2.0
105.01873	34.0
107.04993	2.4
107.08595	2.9
109.02884	26.4
109.10190	3.0
110.07186	3.2
113.83152	1.8
115.03935	2.1
120.08114	10.4
121.06569	2.2
127.03913	59.0
129.01813	2.0
130.06528	7.3
135.11688	4.7
137.05962	3.7
145.04965	19.8
147.02911	2.1
153.12770	5.3
157.13364	2.4
159.02899	10.5
166.08670	4.1
171.13861	4.1
185.12854	3.9
189.03958	3.9
211.13278	2.1
231.05052	13.7
234.57341	2.0
247.14572	2.4
260.10480	1.9
287.76611	1.9
350.09613	6.7
350.14175	2.1
367.03409	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03948	0.2
55.01897	0.2
55.05514	1.9
57.03429	0.2
57.06801	0.3
57.07079	3.9
66.61133	0.2
67.05506	2.8
69.07070	2.3
69.57497	1.3
71.04982	0.3
71.08634	2.1
78.81168	0.2
79.05491	2.0
80.36492	0.2
81.07056	5.1
81.33991	0.2
83.04961	0.3
83.08617	0.8
85.06554	2.1
91.05469	0.8
93.07045	1.7
95.04978	0.4
95.08614	4.5
97.06517	0.4
97.10162	0.6
99.08098	1.1
105.07063	1.1
107.08602	2.5
109.06522	15.4
109.10162	1.6
111.08073	0.7
119.08587	1.7
121.10143	1.6
122.07279	1.7
123.08071	22.7
123.11713	0.6
131.08609	0.3
133.10135	1.4
135.08061	2.4
135.11696	0.6
136.08836	0.4
137.09628	0.7
137.13260	0.4
145.10141	0.7
147.11642	0.3
149.09650	0.5
149.13254	0.2
159.11708	0.5
161.13242	0.4
165.12766	0.8
167.14342	0.5
176.34613	0.2
179.14316	100.0
180.14679	0.7
187.71716	0.2
189.16478	0.2
192.15137	0.3
193.15862	1.9
215.18071	0.2
233.18755	0.2
261.18375	0.3
263.02563	0.2
281.55316	0.2
289.25320	0.5
293.21088	0.6
311.14575	0.2
331.26309	2.6
349.27377	88.7
350.27591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01875	0.8
55.05514	5.6
57.07074	1.3
67.05504	5.0
69.06733	0.8
69.07076	9.0
70.80807	1.3
70.93991	0.4
71.04971	1.1
71.08637	0.6
71.80539	0.4
79.05502	3.3
81.06601	0.5
81.07066	7.2
83.04988	1.1
83.08626	4.0
85.06503	0.5
91.05473	1.6
93.07053	5.1
95.08621	7.7
97.06539	1.2
97.10173	1.1
98.20836	0.5
99.08067	0.7
99.54981	0.4
100.24234	0.4
105.07046	2.4
106.49068	0.4
107.08606	4.6
108.22670	0.4
109.05802	0.8
109.06524	11.5
109.07272	0.8
109.10180	2.7
111.08082	2.4
119.08591	2.7
119.71000	0.6
121.10159	3.8
122.07294	0.6
123.08073	62.9
123.11713	1.4
125.09663	0.6
128.52480	0.4
133.10130	2.6
135.08061	4.2
135.11713	1.6
137.09648	3.6
137.13252	0.5
145.10146	1.1
147.11685	1.8
149.09630	1.2
149.13293	1.5
159.11679	1.7
161.13283	1.2
165.12823	0.6
173.13200	0.7
177.12708	0.8
179.14319	9.7
206.53249	0.5
222.37946	0.4
233.19017	0.8
275.19998	1.3
275.85251	0.4
289.25378	0.6
293.21121	15.3
294.21442	0.6
303.26602	0.5
331.26248	2.6
349.27386	100.0
350.27615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01854	0.3
55.05512	1.9
57.06839	0.3
57.07078	4.6
58.17449	0.3
58.74621	0.2
60.82369	0.4
61.94347	0.2
67.05518	2.2
69.07068	2.5
69.91484	0.8
69.91885	0.5
71.04978	0.5
71.08637	2.2
79.05483	2.1
81.07057	5.5
83.04953	0.3
83.08621	0.6
85.06538	2.2
91.05463	0.9
93.07048	2.6
95.04951	0.6
95.08607	5.0
97.06539	0.4
97.10167	0.4
98.21400	0.5
99.08093	1.3
105.07017	1.7
107.08592	2.4
109.06518	16.1
109.10167	1.7
111.08079	0.8
111.25040	0.3
119.08567	2.1
121.06543	0.4
121.10153	2.1
122.07285	1.3
123.08069	22.4
123.11684	0.7
125.09660	0.3
131.08585	0.4
133.10129	1.3
135.08058	2.4
135.11668	0.5
137.09604	0.9
137.13185	0.5
145.10095	0.6
147.11676	0.9
149.13263	0.4
151.14792	0.4
157.10086	0.4
159.11716	0.5
161.13290	0.5
165.12758	0.8
167.14357	0.6
173.13304	0.3
179.14308	100.0
180.14684	0.8
184.08803	0.3
193.15875	3.0
215.17883	0.3
251.16148	0.3
289.25131	0.3
293.21252	0.6
293.83014	0.3
306.23669	0.3
313.25247	0.3
331.26270	2.2
349.27368	88.9
350.27548	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01890	0.4
55.05515	4.2
57.03431	0.8
57.07066	1.6
67.05508	4.4
69.07069	8.5
70.95969	1.0
71.04999	0.9
73.06573	0.6
79.05504	3.7
81.07059	6.8
83.04984	0.9
83.08621	3.5
85.06532	0.6
91.05497	1.7
93.07047	3.9
95.08609	6.0
97.06531	1.8
97.10159	0.5
105.07018	2.2
107.08593	4.6
109.06516	10.6
109.10140	3.3
111.08138	2.1
117.06950	0.4
119.08575	2.9
121.10129	3.2
122.07274	0.9
123.08070	56.2
123.11682	2.0
125.09606	0.8
126.76620	0.4
133.10150	2.4
135.08049	3.8
135.11708	1.6
137.09615	3.5
137.13235	0.8
145.10147	1.0
147.11702	1.9
149.09648	1.1
149.13275	1.4
159.11716	1.0
161.13216	1.0
163.11168	0.5
165.12697	0.7
170.41238	0.5
173.13292	0.8
179.14305	16.3
193.15846	0.6
233.18993	1.0
275.19998	1.9
289.25229	0.8
293.21109	14.9
293.24335	0.9
307.22833	0.6
331.26389	2.8
349.27377	100.0
350.27786	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.96566	0.5
57.07070	1.3
61.48077	0.5
67.05505	0.8
69.07072	0.7
70.86002	1.2
71.08626	0.7
72.08143	0.9
81.07034	0.8
88.11269	2.1
89.11605	0.5
91.05467	0.5
93.07031	0.7
95.04942	0.6
95.08626	1.6
101.26228	0.5
107.04947	1.3
107.08625	0.8
109.06549	0.6
109.10137	0.8
123.08069	2.7
145.31886	0.5
151.32875	0.5
159.00902	0.7
179.14310	4.6
209.11473	0.5
211.88684	0.6
214.04263	0.6
236.16531	1.9
237.16734	2.9
293.23117	3.8
349.23535	100.0
349.27380	9.1
350.23770	1.4
364.40555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.7
55.01867	7.3
55.05516	28.7
57.03430	9.5
57.07073	2.9
65.03917	1.9
67.05508	41.1
69.03420	3.4
69.07075	16.3
70.81542	4.7
70.81895	1.8
71.04998	4.6
71.08656	3.0
72.90794	1.9
76.41497	2.0
78.29605	2.0
79.05499	52.3
81.03447	4.0
81.07056	37.2
83.04990	11.3
83.08621	11.4
85.06541	4.1
91.05488	28.7
93.07055	36.2
95.01359	2.1
95.04971	6.4
95.08610	20.9
97.06544	5.9
97.10174	7.4
101.00903	2.2
105.07030	28.3
107.04972	15.1
107.08595	40.4
109.06547	10.8
109.10161	19.1
111.08102	3.7
117.07016	10.8
119.01909	3.9
119.08609	17.6
121.06509	2.4
121.10156	14.5
123.08074	40.0
123.11730	5.0
125.09688	8.8
125.57051	1.9
131.08559	13.1
133.10141	16.2
135.08073	8.2
135.11697	4.8
137.09630	4.3
143.08675	2.1
145.10170	8.6
147.11697	12.3
149.09628	29.9
149.13260	2.6
153.09128	1.9
159.11732	8.6
161.13225	4.5
163.11145	2.3
163.14870	4.0
173.11798	3.5
173.13309	3.9
177.12773	2.8
179.14307	32.9
179.15788	2.2
187.11093	2.1
189.11226	3.7
191.14270	3.1
209.15347	3.4
229.19476	3.8
257.19028	9.8
275.20047	32.4
293.21033	7.9
312.64517	2.2
313.33069	2.4
331.26224	2.1
349.19852	100.0
349.23706	27.4
349.27423	69.1
349.32352	2.5
349.33719	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.1
56.96560	2.0
67.05497	3.5
69.07058	2.6
70.81773	1.9
71.08616	1.1
79.05493	3.6
81.07067	4.3
83.08629	1.5
85.06534	0.9
86.81121	0.7
91.05481	2.7
93.07056	2.2
95.08613	3.2
95.99986	0.7
101.81027	0.7
105.07042	2.1
107.08585	2.7
109.06523	3.0
109.10157	2.2
119.01943	1.2
119.08589	2.4
121.10152	1.4
123.08063	10.1
131.08595	1.3
133.10052	0.7
135.08060	0.8
137.09677	1.1
143.01944	0.7
145.10135	1.0
147.11656	1.5
148.21642	0.8
149.13306	0.9
158.04497	0.9
159.11719	1.1
161.02902	0.9
161.13225	1.0
173.02982	0.8
175.00880	1.3
176.32201	0.9
179.14311	18.5
189.16344	0.8
193.84895	0.7
196.78961	0.7
206.10825	0.9
217.01932	0.9
240.29446	0.7
267.12985	0.7
272.95859	1.0
275.20175	1.3
293.21170	1.9
323.19070	0.9
331.26382	1.4
349.19910	100.0
349.23480	11.6
349.27502	25.9
350.20377	1.8
367.17935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44415	0.8
55.05510	1.4
57.07067	1.1
67.05502	5.3
69.07067	2.4
70.33504	2.1
71.08622	0.8
79.05500	1.8
81.07070	5.1
83.08620	1.8
85.06581	0.9
86.47427	1.0
91.05475	1.4
93.07040	4.2
95.08614	4.6
98.21481	0.8
100.08954	0.7
105.07011	1.7
107.08581	1.8
109.06503	1.1
109.10131	1.5
119.08578	2.1
121.10183	3.4
123.04459	0.8
123.08076	4.5
133.10104	1.0
135.11693	2.6
147.11728	1.5
149.13249	1.3
179.14311	5.5
184.07437	1.5
241.64827	0.8
263.23621	1.5
267.64877	1.0
285.75336	0.8
288.16241	0.9
293.21289	1.5
331.22687	1.1
346.47543	0.9
349.23532	100.0
349.27341	10.4
350.23752	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01870	14.3
55.05519	24.5
56.96566	19.3
57.03433	14.2
67.05511	46.2
69.07056	35.7
70.62093	8.9
71.08608	10.7
79.05485	26.2
80.65612	9.7
81.07057	59.1
83.08617	15.6
85.06552	11.7
91.05481	36.3
93.07040	43.2
95.08621	46.9
105.07043	38.4
107.04976	12.3
107.08614	43.6
109.06525	34.9
109.10140	15.7
117.07066	18.0
119.01936	16.5
119.08567	26.7
121.06533	13.7
121.10139	21.0
123.08064	42.9
131.01880	23.4
131.08516	21.2
133.10104	21.9
135.11687	11.8
143.01956	11.9
143.08575	11.5
145.10088	17.0
147.11699	20.1
151.11191	14.2
154.16196	10.0
155.01921	27.0
173.02983	67.0
179.12994	10.2
179.14313	64.5
189.94344	10.8
242.69502	11.0
247.02925	20.3
247.13086	43.1
257.19009	18.0
261.14496	14.0
275.20062	100.0
293.21103	17.4
349.19608	69.1
349.23749	49.1
349.27338	88.9
367.18085	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.3
62.32160	0.3
71.23235	0.7
81.07045	0.5
83.58838	0.3
95.08598	0.5
97.02882	0.4
106.48640	0.3
111.04209	0.5
113.02377	0.3
137.05771	1.0
141.01900	0.4
155.06250	0.3
158.04507	1.0
221.11385	0.4
253.12885	0.6
261.14621	3.0
331.18945	0.4
349.19864	100.0
350.20248	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01863	0.5
55.05500	1.2
57.03416	0.7
57.07101	0.5
67.05497	2.6
69.07063	1.2
69.93542	1.1
69.93959	1.4
79.05492	1.3
81.07065	4.0
83.08625	0.8
86.31609	0.4
86.47073	0.5
91.05489	1.7
93.07034	1.5
95.08592	2.2
97.06560	0.7
98.20776	0.6
101.00882	0.6
105.07053	1.2
107.08607	1.2
109.06510	1.8
109.10146	0.8
111.08031	0.5
119.01930	0.8
119.08585	1.5
121.10185	0.5
123.08073	1.5
131.01849	0.6
131.08559	0.5
133.03403	0.5
137.09689	0.5
145.10068	0.8
147.11713	1.0
148.06836	0.5
149.09673	0.6
149.13257	0.5
159.11685	0.7
179.14276	3.1
199.04251	0.6
199.46899	0.5
207.21689	0.5
219.17479	1.0
251.45207	0.5
275.20117	1.8
349.19882	100.0
349.27280	4.7
350.20233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01875	7.0
55.05515	39.4
57.03442	2.0
57.06216	1.0
59.04994	2.8
65.03909	1.0
67.05508	3.1
68.02637	2.1
69.03433	15.6
69.07073	25.5
70.06601	7.1
71.04968	1.8
71.36724	1.0
71.51528	2.3
72.08137	3.3
74.06094	1.7
77.63116	1.0
79.05494	3.3
81.03407	4.7
83.04977	3.2
83.08621	100.0
84.04510	2.4
84.08151	8.1
85.02905	3.7
86.09685	5.8
87.04456	4.2
87.08096	2.9
91.05461	1.9
93.07033	7.3
95.08614	1.9
97.02899	21.0
97.06529	1.8
99.04440	3.6
101.06019	3.4
101.07101	1.3
103.05495	1.5
110.07159	2.1
111.04446	81.6
111.08083	30.4
112.11226	1.2
119.86783	1.3
120.08102	3.5
121.06486	3.2
125.02348	7.5
127.03918	1.8
129.05487	15.8
129.09113	4.9
129.10080	1.2
139.07549	5.0
147.04440	1.4
147.06488	1.2
151.03900	2.7
157.04951	2.3
157.08600	22.3
175.06042	18.0
175.09654	44.1
187.08632	2.0
189.11235	1.8
202.11044	4.4
253.10674	2.4
285.13409	6.7
303.14410	25.1
315.13159	2.2
331.13934	26.4
332.15979	2.0
349.13879	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
55.01875	4.6
55.05265	3.0
55.05514	35.0
57.03439	5.7
57.07063	3.1
59.04992	2.3
67.05508	78.2
69.07075	22.2
70.00377	8.1
71.04989	4.7
71.08634	14.5
73.02899	2.2
79.05496	32.4
81.03418	4.1
81.07058	79.4
83.04983	7.7
83.08618	31.2
83.21073	1.8
85.06528	5.0
91.05480	23.0
93.07045	49.8
95.04966	4.6
95.08607	28.5
97.06541	11.9
97.10165	25.3
98.21461	2.6
99.08097	17.3
103.03517	2.0
105.07026	12.8
107.08607	29.6
109.06503	4.2
109.10158	41.3
109.10849	4.0
111.08095	10.3
113.09645	3.7
117.07005	9.1
119.08599	12.0
121.10143	13.9
123.08068	3.0
123.11742	4.0
125.09638	17.4
131.08582	7.7
133.10118	18.7
135.08044	3.4
135.11691	15.9
137.09662	3.1
139.11165	3.3
147.11665	5.5
149.13245	37.8
151.11194	14.8
153.12781	2.0
155.10672	24.9
159.11725	14.9
161.13292	11.7
163.11198	7.1
163.14792	1.8
167.14359	1.9
171.10214	4.5
173.11742	60.0
177.12782	13.2
179.14294	7.9
189.11215	23.0
189.12695	2.4
195.13808	100.0
213.14864	58.0
231.20935	1.8
241.19620	3.9
259.20660	7.3
277.21631	53.4
282.98053	2.0
295.22696	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2747
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
50.00554	0.5
53.03958	1.1
55.01870	0.8
55.05510	3.8
56.05035	4.5
57.03456	0.9
58.06602	1.0
60.04529	100.0
61.02989	0.5
65.03944	0.6
67.05508	11.3
68.05020	0.9
69.03425	1.1
69.07079	4.0
69.48280	0.5
70.06598	9.4
71.04986	0.9
71.06941	0.6
72.04534	2.3
72.08162	4.8
74.06091	2.8
79.05501	9.1
80.05025	0.8
81.03446	0.8
81.07060	11.7
82.06577	3.6
83.04967	1.0
83.08620	1.6
84.04505	3.9
84.08150	9.7
85.02919	1.5
85.06535	0.8
85.08489	0.8
86.06079	0.8
86.09695	4.2
89.51649	0.4
90.05568	1.6
91.05490	8.4
93.07041	9.3
93.07568	0.9
94.06593	1.3
95.04997	1.9
95.08616	8.8
96.08147	1.8
97.02920	0.7
97.06530	4.6
97.10184	0.7
98.06075	0.8
98.06858	1.3
98.09682	0.6
98.20760	0.9
98.97587	1.1
99.08086	0.7
100.11230	0.6
102.05525	1.2
103.05458	0.6
105.07031	5.0
107.04973	1.2
107.08604	5.8
109.06523	1.6
109.10165	3.8
110.06082	0.7
110.07164	1.6
111.08154	0.7
112.07594	0.7
112.11255	0.8
116.07107	1.6
117.07040	1.7
117.55011	0.5
119.08612	3.4
120.08091	3.5
121.06522	1.6
121.10155	4.7
122.09694	0.6
123.08072	0.5
123.11714	1.6
125.09634	0.5
129.07056	1.0
129.10246	3.0
130.05009	1.0
130.08662	1.6
131.08560	3.0
133.10135	3.7
134.81700	0.5
135.08084	0.7
135.11705	2.4
135.54401	0.5
136.06204	3.7
137.05974	1.1
139.11107	0.6
143.08569	1.2
145.02870	1.5
145.10143	1.9
147.11679	2.9
149.06006	0.7
149.13266	1.2
151.03975	0.9
157.10219	1.5
159.11748	1.7
161.02344	0.6
161.13197	1.6
163.03935	1.7
164.04279	0.7
164.07272	0.5
167.07059	0.7
170.06049	0.7
171.11667	1.1
172.14421	0.6
173.02353	0.8
173.13205	0.7
174.02725	0.9
175.59027	0.5
177.05473	2.9
178.05852	0.6
178.15886	0.6
185.13196	1.0
194.74516	0.5
207.08145	1.4
215.07042	0.6
216.07414	2.0
226.08644	2.0
235.07573	1.9
246.22180	0.5
258.22397	1.0
259.09583	1.5
260.10056	3.1
262.08694	0.6
263.07028	2.9
264.23361	0.6
272.07190	0.8
276.23218	4.1
276.72897	0.6
279.03854	0.6
290.08395	0.6
291.06473	2.6
294.24271	5.7
312.25323	10.5
323.15350	0.7
330.26376	32.1
331.17596	1.0
348.12311	6.8
348.20175	6.8
348.27444	88.2
349.20306	0.5
349.27853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2171
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
55.01870	1.0
55.05513	3.2
55.95625	0.5
56.05029	1.0
56.96558	0.9
60.04533	3.1
67.05506	5.0
69.06791	0.4
69.07085	3.9
70.06599	4.2
71.04997	0.8
71.18082	1.1
72.08144	2.1
76.70418	0.5
79.05508	2.6
81.07058	5.4
83.05002	1.2
83.08615	1.0
84.04501	0.8
84.08144	2.2
85.02903	0.8
85.06525	1.1
86.09726	2.6
91.05479	4.7
93.07050	3.0
95.04959	1.1
95.08624	3.0
97.06544	2.8
98.06914	0.9
98.97564	0.8
99.08074	0.6
100.98033	0.5
103.05464	2.7
105.07047	4.5
106.07346	0.6
107.04962	0.9
107.08585	2.6
109.06479	0.6
109.10166	4.0
110.07151	0.7
113.05998	0.6
115.05457	1.9
116.07120	0.8
117.07010	1.9
118.06557	1.2
119.04971	0.6
119.08570	1.2
120.08125	2.5
121.06521	1.5
121.10146	0.8
123.04463	5.9
123.08047	0.6
123.11745	0.8
128.06227	1.8
129.07018	7.2
129.10207	1.1
131.04916	6.2
131.08554	1.0
133.06458	1.3
133.10165	1.5
136.06204	11.8
137.05986	5.5
138.06374	0.7
141.07056	0.6
143.04945	2.3
143.05975	0.6
143.08571	3.1
145.02925	0.7
145.06511	2.7
146.06058	1.3
147.04422	5.0
147.08075	0.8
148.05124	0.6
149.05994	13.7
151.07573	1.1
155.08572	1.1
157.06499	5.4
159.08040	0.9
160.05203	1.5
161.05994	12.7
162.06747	0.7
163.03917	1.2
163.07524	2.5
164.07077	43.1
168.13863	0.9
169.06487	1.2
171.08098	3.1
173.05989	5.7
175.07556	28.3
177.05505	1.2
181.05003	1.6
183.08047	1.8
185.09644	0.9
187.07654	2.9
189.09125	4.0
189.12796	0.6
191.07076	0.7
197.13016	0.5
199.07481	0.9
201.09132	2.1
259.09802	0.7
260.10071	2.1
263.07047	0.6
285.18521	0.9
291.06726	0.7
298.07855	0.5
300.09534	1.0
312.20721	0.5
313.18021	6.0
330.21490	1.0
330.26453	2.0
331.19031	4.4
348.21738	100.0
349.22092	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01882	1.2
55.05507	2.3
56.05032	1.8
57.03426	1.1
60.04511	1.4
61.01160	0.6
61.02928	1.6
69.03437	5.2
69.07068	0.8
70.06596	7.7
71.51417	0.7
71.51794	0.5
72.07761	0.9
72.08160	16.4
73.02926	1.0
74.06062	0.9
79.05519	0.6
81.03429	1.8
84.04491	2.4
84.08148	4.7
85.02913	15.4
86.09718	7.7
87.04490	0.8
87.10043	1.5
91.03959	0.9
91.05489	13.3
93.07003	0.5
94.06610	0.5
95.04958	2.3
97.02898	5.4
98.97598	0.9
99.04475	0.7
102.05574	0.8
103.05457	0.6
104.05335	1.0
105.07045	0.6
109.02882	1.5
110.07193	2.5
111.04425	0.8
112.08746	0.7
112.11231	1.5
114.09178	1.6
115.05541	0.6
115.08688	0.7
116.07107	1.1
119.04958	12.8
120.08119	4.4
121.06523	0.5
123.04446	1.8
127.03917	3.3
129.07008	0.6
129.10205	1.1
129.13890	0.6
130.04964	1.0
132.10158	1.0
136.05220	1.6
136.07596	0.8
137.06004	3.0
139.03848	0.5
145.04958	4.0
147.04451	0.9
149.06026	0.9
150.05774	0.9
151.07555	100.0
152.07974	0.8
156.07716	0.6
163.03886	1.9
163.06113	0.5
163.07419	0.6
165.05487	1.5
165.09111	1.1
169.08614	13.2
171.14944	4.3
173.12878	1.4
175.06113	0.7
175.07510	0.9
177.05402	0.6
180.08728	1.6
181.08569	0.8
193.08673	1.6
195.06534	1.0
199.14481	3.4
201.12419	1.4
215.14027	0.5
217.08614	1.2
234.08121	0.6
245.08171	2.2
249.12552	0.7
277.10669	0.6
281.06717	0.6
302.10049	0.9
302.13168	1.2
330.09964	0.6
348.13614	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	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01867	0.8
55.05518	0.9
56.05028	1.2
57.03432	1.6
60.04527	0.4
61.02930	2.5
61.74177	0.4
65.03938	0.7
66.06682	0.4
67.57809	0.4
69.03433	4.8
70.06601	6.4
70.79425	0.7
70.79738	0.5
72.08167	4.0
73.02908	1.2
81.03440	2.2
81.07086	0.4
84.04502	1.7
84.08154	4.1
85.02913	21.9
85.49811	0.4
86.09712	4.4
91.03973	1.1
91.05486	13.3
95.04968	2.5
97.02905	6.1
98.97587	0.5
99.04446	0.8
102.05549	0.6
102.88750	0.4
105.07033	0.9
108.82958	0.5
109.02879	1.7
110.07170	1.5
111.04431	0.6
112.11224	2.0
116.07079	0.6
119.04112	0.9
119.04951	12.6
120.08122	1.6
121.02891	0.8
121.06535	0.9
123.04451	0.5
127.03935	3.3
129.10231	1.7
129.13896	0.7
136.05220	0.8
136.07631	0.6
137.05977	1.6
145.04971	4.5
147.04437	1.1
151.07552	100.0
152.07942	0.6
156.07782	0.4
158.05968	0.5
161.06039	0.6
163.03952	1.0
163.06012	1.0
165.05481	1.0
165.09142	1.2
169.08620	10.8
174.06912	0.5
175.07553	1.0
180.08664	1.0
181.04999	0.4
181.08565	0.6
184.60547	0.5
186.11177	0.6
189.09114	0.4
193.08629	2.6
210.08357	0.5
217.08594	1.2
220.09714	0.6
237.02792	0.4
245.08107	0.8
259.09653	0.8
265.15741	0.4
277.10764	1.8
277.44125	0.4
283.22293	0.5
295.11795	0.9
302.12958	1.8
306.29428	0.4
348.13397	2.9
348.22650	0.6
349.09073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.01876	0.9
55.05510	0.9
56.96557	1.3
57.07076	1.0
67.05505	1.3
69.07066	1.3
70.06580	1.5
71.30725	0.6
79.05495	1.0
81.07067	2.5
88.07619	1.0
93.07057	0.9
95.08578	1.1
106.90237	0.6
107.08591	0.9
109.10188	0.8
121.10158	0.7
122.56604	0.5
123.08133	0.9
135.08051	1.0
136.06239	0.9
137.05981	2.3
145.10086	0.9
147.11691	0.7
149.02342	0.7
149.06015	0.7
150.06380	0.7
193.04994	1.5
224.65704	2.3
239.26231	0.6
261.15109	0.7
285.29852	1.6
305.24640	0.8
319.22617	0.7
347.21985	100.0
347.25909	8.8
347.33377	4.6
348.22379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.7
56.07247	1.3
63.35823	1.3
69.07049	1.8
69.36619	8.1
69.37025	2.7
81.07077	1.6
87.53087	1.2
90.07327	1.3
93.07093	1.6
95.08624	2.1
98.21142	6.2
100.21790	1.3
107.08605	1.4
123.04430	9.4
135.08049	2.0
136.32434	1.4
146.66626	1.4
169.68240	1.4
170.92761	1.3
209.11545	3.6
329.20871	42.5
329.24109	1.7
347.21960	100.0
347.25742	6.9
348.22278	2.3
361.71313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24790	1.9
55.01859	3.2
55.05518	17.9
57.03418	2.7
57.07052	2.3
67.05506	61.6
69.03423	2.0
69.07076	25.0
71.04982	6.6
71.23157	3.2
79.05504	20.8
81.07058	81.8
83.04969	3.8
83.08627	11.0
85.06535	4.0
91.05461	8.8
93.07046	27.2
95.08607	71.4
97.06502	5.7
97.10177	9.1
99.08036	2.2
105.07024	8.2
107.08589	15.2
109.10164	41.0
111.11669	2.4
119.08579	9.1
121.10145	18.9
123.08087	2.7
123.11719	18.1
131.08551	6.8
133.10158	10.4
135.08051	3.6
135.11737	11.3
137.09599	3.6
137.13277	9.7
139.11177	2.2
141.69986	2.2
145.10126	9.8
147.11696	8.1
149.13228	5.9
151.11229	2.6
159.11650	5.1
161.13260	8.0
163.14819	3.5
165.12688	3.2
165.65361	2.1
169.66441	2.0
173.11842	3.2
173.13231	4.1
175.14810	2.2
177.12706	2.1
179.14275	4.6
187.14796	3.2
195.13708	2.0
209.15555	2.5
237.73338	1.9
243.21089	9.8
261.22128	23.0
279.23199	100.0
293.24753	2.5
297.24304	11.2
311.25739	1.9
314.66025	2.1
315.08505	4.2
316.08914	2.1
339.90768	2.1
344.37665	1.9
347.10651	3.2
347.18161	5.5
347.22040	2.8
347.25757	2.3
355.01471	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1488
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
50.10527	0.8
53.03941	0.9
55.01869	1.4
55.05500	1.1
65.03946	3.9
67.05494	3.1
67.05821	0.8
69.07070	2.2
69.34981	2.7
69.35410	3.1
70.06596	1.2
72.08146	1.5
79.05500	3.7
81.03438	1.1
81.07056	2.1
83.08633	0.9
84.08146	1.4
85.02885	1.3
86.09705	1.0
91.05493	4.0
93.03407	6.8
93.07053	1.3
94.04175	2.4
95.04960	1.6
95.08595	1.3
97.06528	13.6
98.97581	1.0
103.05470	22.8
105.07075	1.4
106.26872	0.7
107.04954	2.0
108.02119	2.0
109.06503	4.3
109.10157	1.0
111.04430	5.3
115.05462	2.6
117.03362	0.9
117.07022	11.7
119.04942	1.6
119.08573	1.1
121.06490	0.9
122.03654	8.1
125.05997	9.7
131.04932	40.9
135.04382	1.1
136.06174	1.0
137.05984	100.0
141.05537	1.0
144.05658	1.0
145.02844	1.3
145.06496	18.6
147.04405	2.0
149.05911	0.8
151.03915	54.8
151.05028	6.5
151.07573	1.8
153.05475	16.4
161.02373	1.1
161.05975	2.0
163.03897	9.0
163.07547	10.2
173.02345	2.9
173.05939	1.5
175.07549	2.9
177.09122	8.9
187.07529	6.4
189.06921	0.9
190.07790	1.7
191.07022	1.7
191.08560	7.6
205.06886	0.9
205.08598	25.2
208.08836	0.8
215.07030	5.2
218.07288	1.6
219.08049	17.5
223.09782	0.8
235.07405	0.9
236.08264	1.3
238.88609	0.8
247.07582	14.4
248.08200	1.4
251.10715	5.9
259.09674	14.4
261.09082	1.8
264.07849	2.7
265.08478	1.1
279.10187	17.5
280.10797	1.9
296.10434	1.0
303.17850	1.7
311.12775	26.8
329.13834	75.3
330.14026	1.6
330.17523	1.3
347.07492	3.9
347.14957	1.5
347.19623	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	347.168
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05509	0.6
56.05008	0.4
56.96573	0.8
67.05500	0.7
68.20398	0.3
68.29442	0.3
68.99781	0.4
69.03429	0.6
69.07057	0.7
69.78929	0.9
69.79340	1.2
70.06587	2.8
71.01311	0.4
71.04984	0.4
72.08157	2.1
73.02905	0.4
79.05483	0.9
81.07033	0.5
83.04962	0.4
84.04517	0.8
84.08136	1.4
85.02886	0.7
86.09728	1.6
89.10781	0.5
91.05467	0.6
91.19242	0.3
95.08541	0.4
97.06531	3.2
98.97587	2.1
103.05475	0.4
107.04932	0.7
107.08585	0.5
110.07175	1.1
111.04420	0.6
115.08722	0.4
116.98611	0.7
117.06979	0.4
119.08562	0.4
120.08091	1.1
121.06524	0.6
129.10213	0.8
131.04913	1.1
133.02856	1.4
135.04356	0.5
136.06226	0.3
136.07536	0.8
137.05965	3.2
145.02834	0.6
145.06526	0.5
147.04405	1.4
149.05998	1.0
150.06778	0.4
151.03900	1.6
153.01849	1.1
153.05415	0.4
158.99678	0.7
159.04436	0.6
161.02341	0.7
161.05959	0.8
163.03935	2.0
163.07504	0.5
164.04713	0.9
165.05486	1.2
165.06973	0.3
167.07127	0.4
168.00543	3.8
169.01360	0.4
169.10126	0.3
173.02411	0.6
177.05566	0.8
179.03461	0.5
183.02864	1.7
185.00908	0.4
185.11479	1.8
186.01613	1.6
190.68646	0.3
191.03528	0.6
205.06184	0.3
215.07086	3.2
219.01804	0.7
227.03387	0.5
236.78671	0.4
237.02870	0.5
244.03680	1.0
244.29391	0.4
255.02809	0.6
259.05804	0.4
259.09674	3.6
272.03241	0.4
281.69733	0.3
287.05484	2.0
300.02649	5.5
301.11194	0.3
314.04178	0.9
315.05011	3.1
317.03006	0.5
329.06644	0.4
329.13834	0.8
330.16827	0.4
332.05182	1.6
347.07742	22.1
347.16736	100.0
348.08087	0.6
348.16995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1128
Annotation	Agestricin D
Peak:m/z	Relative Intensity
52.23780	1.4
55.05499	1.5
56.85273	1.7
68.99785	2.2
69.14559	13.2
69.14970	3.0
79.05480	5.9
81.07055	2.8
91.05488	6.2
93.07081	2.1
95.01343	2.9
95.04968	1.7
103.05487	9.9
105.07030	14.3
107.04891	2.0
109.02849	2.2
111.04430	2.7
119.08575	2.2
121.02886	14.0
121.06524	6.7
125.05993	3.3
131.04884	1.7
134.21817	1.6
135.04431	3.9
135.08069	16.2
136.05222	20.0
137.05998	5.5
138.03069	2.2
139.07489	2.4
145.56374	1.5
148.05212	2.0
149.02353	52.8
149.05969	3.4
151.07565	21.9
153.05482	7.3
154.02611	2.0
155.03464	3.8
163.03975	6.0
163.07556	28.0
164.08380	2.8
165.05539	1.7
166.02679	2.0
168.00545	3.8
169.04915	3.3
171.06555	2.0
181.04961	40.8
183.02892	6.2
191.07022	23.4
193.05048	2.4
194.02109	5.6
195.06549	4.0
197.04391	1.8
199.07628	3.0
205.08519	1.8
209.04449	13.4
227.06953	2.3
255.06569	3.2
259.09814	2.3
287.08881	2.2
298.96625	2.0
299.67780	1.8
319.11835	7.0
329.10132	6.8
347.11282	100.0
347.18329	5.7
347.25641	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0762
Annotation	Myricetin 3,4'-dimethyl ether
Peak:m/z	Relative Intensity
55.05517	0.6
63.47181	0.3
65.25983	0.2
66.85577	0.3
67.05495	0.3
68.99791	6.8
69.07072	0.4
69.34358	0.6
69.34763	2.0
70.06579	1.0
72.08158	0.7
79.05484	0.3
84.08134	1.1
86.09700	0.8
91.05491	0.8
93.07066	0.3
95.01269	0.3
95.08588	0.4
97.06540	3.3
98.20800	0.6
99.00814	1.1
107.04993	0.5
112.01583	0.5
115.05403	0.3
123.04401	0.4
127.00240	0.7
129.10211	0.6
133.02849	1.3
135.04443	0.3
137.05975	0.3
139.00223	2.6
140.01135	0.3
141.01802	0.5
145.02898	0.4
146.07242	0.3
147.04420	5.5
149.02351	1.8
150.03120	7.4
151.03888	2.2
153.01836	2.0
154.02608	0.3
155.03328	0.3
159.04463	0.4
161.02362	0.4
161.05879	0.4
163.03894	1.8
164.04686	4.7
165.01855	4.3
165.05496	0.4
166.99767	5.3
167.06932	0.3
168.00548	7.7
169.01309	3.9
173.02319	0.8
177.05489	0.3
181.01251	0.4
182.02103	2.2
183.02890	6.0
183.08011	0.6
184.03197	0.3
185.00826	9.2
186.01602	3.5
189.05373	0.3
200.03212	0.4
202.06158	0.4
211.07576	0.5
215.03383	0.6
215.07039	1.7
216.04152	0.7
228.04253	0.4
229.04994	0.7
230.05785	1.1
232.03694	1.6
233.04451	2.1
241.05038	0.7
243.02934	0.7
243.10074	0.3
244.03683	4.0
245.04301	0.3
257.04575	0.6
258.05243	1.3
259.06076	2.2
259.09668	2.9
261.03867	0.9
268.03778	0.4
269.04416	0.3
271.02368	1.2
271.09711	0.3
272.03101	1.6
277.07196	0.4
285.03970	0.5
286.04739	1.6
287.05545	5.4
289.03577	1.3
296.03152	0.9
299.02017	1.3
300.02661	1.1
303.17981	0.3
304.05579	0.3
313.03442	1.3
314.04214	23.4
315.04922	0.9
317.02927	14.1
331.04639	0.6
332.05261	14.8
347.07614	100.0
347.18784	1.8
348.07965	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0764
Annotation	3,7-dimethylmyricetin
Peak:m/z	Relative Intensity
51.02383	0.3
53.03951	0.3
55.01891	0.8
55.05500	0.4
56.02662	0.4
56.05017	0.4
56.96561	0.4
57.03427	0.3
65.03925	0.4
68.99791	3.3
69.03418	1.2
69.54766	0.3
70.06599	2.1
71.18075	0.7
72.08149	1.1
79.05481	0.5
81.07072	0.4
84.02129	0.6
84.04506	0.8
84.08160	1.8
85.02885	0.5
85.09637	0.3
86.09731	1.6
91.05476	1.1
95.01378	0.4
95.04953	0.4
97.06528	1.1
98.97588	1.0
99.00831	1.8
103.05490	0.3
107.04943	0.8
109.06570	0.5
110.07146	0.7
112.01578	2.6
117.06992	0.5
119.04949	0.5
121.02843	0.6
125.02348	1.3
125.73569	0.4
127.00307	1.7
127.03878	0.4
129.10271	0.6
130.06522	0.5
131.04919	1.3
133.02859	1.3
134.03636	0.8
135.04356	0.4
137.05984	4.1
137.96913	0.4
139.00279	0.7
140.01041	0.9
143.05029	0.3
145.02843	0.6
147.04420	4.0
148.05141	0.5
149.02310	1.0
149.05991	0.7
150.03119	1.1
151.03931	3.3
153.01845	4.2
153.05502	0.4
154.99776	0.6
158.99625	0.5
160.05199	1.0
161.02356	0.5
161.06044	0.5
163.03938	1.0
164.04691	7.0
165.05486	2.6
166.99687	1.5
168.00551	17.8
169.01343	2.0
170.03674	0.4
171.02933	0.4
171.04379	0.6
173.02365	0.4
174.03157	0.5
176.01170	0.4
176.04706	0.4
177.05484	0.9
178.05841	0.7
182.02101	0.6
183.02896	9.9
185.00809	2.5
186.01604	7.5
187.03847	0.6
188.04755	0.4
191.03436	2.1
198.03162	0.6
199.03905	1.4
203.07004	0.5
205.08582	0.6
209.08113	0.4
213.05559	0.7
215.03357	0.4
215.07018	0.9
216.04204	2.3
217.04927	0.5
219.02919	0.5
219.07925	0.4
227.03392	1.4
228.04233	0.7
230.01988	0.5
240.04340	0.4
241.04924	1.0
243.02832	0.7
244.03653	5.4
245.04395	0.5
247.02412	1.1
255.02890	3.5
258.05188	1.1
259.06070	2.4
259.09644	1.0
268.20889	0.3
269.04443	0.8
271.02353	1.7
272.03049	2.4
273.07703	0.4
286.04675	2.0
287.05490	7.8
289.03400	1.0
299.01788	0.8
300.02661	30.4
301.03171	0.7
301.06921	0.5
311.12924	0.5
314.04245	5.2
315.04987	14.5
317.02927	1.4
329.06750	0.6
329.13736	1.7
332.05310	6.6
347.07626	100.0
348.08047	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0761
Annotation	5,6,2',6'-Tetrahydroxy-7,8-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01871	0.6
57.03428	0.4
67.05497	0.9
68.99789	0.6
69.03409	0.5
69.07072	0.4
70.40171	1.1
71.01363	0.8
77.45796	0.4
79.05498	0.8
81.07034	1.4
83.08646	0.4
86.09735	0.3
91.05480	1.2
93.07057	0.9
95.04978	0.5
95.08598	0.4
95.74686	0.4
97.06538	0.7
99.00801	2.3
99.04408	0.6
103.26827	0.4
105.07032	0.9
107.04996	0.8
107.08578	0.9
109.06519	0.4
109.10085	0.4
117.07082	0.4
119.08548	0.9
121.06552	0.5
121.10171	0.7
122.20020	0.4
124.01513	0.4
127.03891	0.5
133.02875	0.5
134.03630	4.2
135.04404	3.4
137.05988	3.6
145.02766	0.5
145.06430	0.5
145.10150	0.6
147.11606	0.4
153.06963	0.5
154.99762	7.9
156.22676	0.4
157.10089	0.6
161.02344	0.7
163.03951	0.6
163.16725	0.4
167.07018	0.6
168.00471	0.4
178.03212	0.4
180.00552	3.4
182.99255	26.5
183.02722	0.9
198.01602	20.1
199.02327	0.5
201.00313	20.3
211.14728	0.5
211.76202	0.4
212.04668	0.4
213.03926	5.7
215.34302	0.4
216.02661	16.3
217.02907	0.4
233.04387	0.4
233.29918	0.3
245.04460	0.5
259.09637	0.7
263.16833	0.5
268.03568	0.6
269.04578	0.4
271.02423	2.0
271.09558	0.5
273.87375	0.4
289.03430	0.9
296.03101	1.8
299.01810	3.4
301.07376	0.4
303.17993	0.9
314.04269	2.8
316.45068	0.4
317.02933	10.4
329.06656	3.0
329.21045	0.8
332.05249	8.1
347.07605	100.0
347.17844	3.0
348.08029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0764
Annotation	5,7,3',5'-Tetrahydroxy-8,4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05510	0.4
55.74513	0.2
62.99457	0.3
67.05491	0.6
67.56394	0.3
68.11101	0.3
68.99794	4.6
69.03443	0.6
69.07060	1.2
69.79666	1.5
70.06604	0.6
70.08687	0.3
70.68776	0.3
71.25633	0.3
72.08156	0.3
75.93266	0.3
79.05488	1.1
81.03422	0.5
81.07059	1.1
88.74326	0.3
89.03920	0.3
91.05501	1.5
92.98372	0.3
93.07065	1.5
95.04971	0.5
95.08596	1.0
97.02900	0.5
97.06530	1.8
103.12518	0.4
105.03403	0.5
105.07037	1.4
107.04962	0.6
107.08588	1.1
109.06505	0.6
109.10130	0.5
112.01607	0.4
115.05458	0.4
117.07036	0.6
119.04959	1.1
119.08565	1.0
121.06507	0.6
121.10152	1.0
123.04457	0.5
123.08092	0.5
125.09629	0.6
127.00275	0.3
131.04913	0.4
131.08595	1.0
133.02892	1.9
133.10143	0.8
134.03622	0.5
135.04475	0.7
135.08055	0.6
135.11714	0.6
137.05974	1.0
138.03185	0.3
138.63281	0.3
139.00252	1.7
139.04033	0.3
141.01849	0.5
143.08546	0.4
145.02864	1.1
145.06476	0.4
145.10141	1.1
147.04456	1.7
147.08070	0.5
147.11673	0.5
149.02345	0.6
149.05946	0.3
150.03134	6.3
151.03964	1.7
151.11212	0.6
152.10262	0.4
153.01854	2.6
153.05458	1.1
154.02655	0.5
157.06517	0.3
157.10167	0.6
159.08099	0.4
159.11725	0.9
160.05170	0.4
161.02464	0.3
161.13135	0.3
162.03072	0.3
163.03929	6.7
164.04729	1.7
165.01872	2.9
165.05499	6.2
166.99779	5.1
168.00572	2.2
168.99988	0.6
169.01343	7.2
169.10191	0.6
171.08025	0.5
173.09680	1.0
175.11209	0.5
179.03372	1.4
182.02081	1.7
183.02946	2.8
183.11485	0.4
185.00838	8.3
186.01633	1.3
187.03926	0.5
187.11191	1.2
187.43782	0.3
188.04776	0.3
190.02660	0.3
191.03458	0.8
195.11707	0.4
196.06380	0.3
199.04109	0.3
202.06329	0.3
207.02933	0.5
212.04677	0.6
213.05411	0.4
215.03458	0.9
216.04204	1.1
223.09143	0.3
228.04218	0.3
229.05028	0.5
230.05786	1.0
233.04510	1.7
240.04411	0.6
241.04875	0.5
243.03004	0.7
244.03648	3.4
247.02440	0.3
257.04507	0.7
258.05267	1.3
259.06195	1.6
259.09702	4.3
261.03940	1.1
265.19644	0.5
268.03772	1.4
269.04364	0.7
269.19104	0.5
271.02444	1.3
271.09598	0.4
272.03186	1.3
283.20361	0.4
285.03952	1.8
286.04712	3.2
287.05554	3.5
289.03400	1.5
291.08762	0.4
293.19003	1.1
296.03168	1.3
297.03952	0.5
299.01782	0.9
300.02719	1.7
301.03528	3.3
301.06775	0.6
303.04956	0.7
303.17905	1.0
311.20004	2.5
313.03473	0.7
314.04230	17.1
315.05035	2.9
317.02939	10.0
318.03201	0.4
329.21091	2.4
331.04446	0.9
332.05276	15.7
347.07639	100.0
347.22113	2.9
348.08087	1.8
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
54.13620	4.6
55.05513	26.5
67.05502	66.7
69.07071	28.8
71.24598	5.9
79.05495	45.7
81.07061	74.0
83.04996	8.7
83.08624	23.1
91.05486	24.1
93.07045	40.5
95.08620	30.3
97.06564	9.0
97.10177	18.0
98.97565	5.8
105.06998	27.0
107.08604	46.7
109.10159	30.7
111.08156	6.1
119.08595	19.3
121.06519	7.4
121.10160	17.7
125.09625	15.3
131.08604	14.8
133.10092	26.1
135.08092	8.0
135.11719	13.4
145.10104	7.5
147.11713	8.5
149.09645	12.5
149.13303	25.9
155.10701	14.7
157.10027	7.5
159.11720	24.0
173.11792	37.3
177.12683	14.1
189.11256	16.3
195.13826	85.2
213.14879	33.4
257.18985	12.6
274.50214	5.6
275.20111	100.0
293.21280	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	346.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34620	2.7
53.03936	3.3
55.01657	3.0
55.01875	29.4
55.05516	27.5
57.03429	5.1
61.25670	2.7
65.03918	2.9
67.05177	4.7
67.05511	56.8
69.03426	5.4
69.07076	23.5
70.06592	3.9
71.04984	12.9
71.52170	4.8
79.05503	38.7
81.03414	3.8
81.07059	56.2
83.04990	17.4
83.08639	21.8
85.06553	11.7
91.05495	34.2
93.07051	49.2
95.04961	10.0
95.08614	32.4
97.06525	14.5
97.10171	13.1
98.97592	8.7
99.08125	3.5
103.05486	2.8
105.07037	16.6
107.04965	3.9
107.08604	33.8
109.06512	6.1
109.10180	15.6
111.08068	13.8
113.09642	3.3
117.07043	11.1
117.83005	3.0
119.08597	15.2
121.06502	3.4
121.10159	27.1
123.08022	3.9
123.11732	5.0
125.09640	100.0
129.07053	3.6
129.09103	10.8
131.08560	13.7
133.10123	14.8
135.08066	7.2
135.11688	11.8
137.05983	5.4
137.09637	8.9
139.11201	5.7
145.02885	4.2
145.10123	10.9
147.11708	14.4
149.09633	8.2
149.13293	7.5
157.10129	5.6
159.11723	9.1
163.03935	4.6
163.11180	4.3
173.13252	3.9
177.05534	5.1
177.12766	4.4
189.11258	4.9
195.13831	9.6
203.12770	3.5
213.14789	10.2
217.15837	3.9
235.16917	26.5
257.18866	7.6
257.98154	3.1
275.20111	45.5
293.21124	18.0
314.11078	5.3
346.06497	5.4
346.13608	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	346.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
57.07079	7.4
58.06604	1.8
69.07047	0.3
69.99372	0.5
69.99782	0.5
70.06593	14.6
71.08628	2.6
72.08131	0.7
78.05251	0.2
84.08128	0.4
85.10194	1.0
86.09689	0.4
88.07632	21.0
102.09184	12.7
115.85394	0.2
132.10197	1.2
138.87924	0.2
146.11740	0.9
150.11241	0.8
191.91275	0.2
240.26807	1.1
258.27911	0.3
278.68555	0.2
284.29483	38.7
285.29718	0.6
307.77731	0.2
328.32147	2.7
346.33160	100.0
347.33676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0762
Annotation	5,7,8,4'-Tetrahydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01878	0.2
59.85861	0.2
67.05491	0.3
68.99794	6.9
69.03400	0.2
69.82112	0.9
71.01347	0.3
81.07053	0.2
84.02129	0.3
91.05485	0.4
94.04194	0.2
99.00833	0.8
109.06503	0.2
112.01598	0.7
121.02838	0.3
123.00832	0.2
127.00299	0.9
132.05688	0.3
133.02838	1.6
137.02332	0.3
139.00250	2.5
140.01103	0.4
141.01826	0.7
143.04851	0.2
147.04420	5.7
149.02347	1.6
150.03120	7.9
151.03914	2.3
153.01820	2.0
154.02565	0.4
155.03426	0.4
159.04436	0.3
160.05133	0.3
163.03923	0.8
164.04703	5.2
165.01837	4.9
165.05286	0.2
166.99763	7.6
167.73570	0.2
168.00546	8.4
169.01324	3.7
174.06848	0.2
175.03908	0.5
182.02094	2.2
183.02892	5.5
185.00819	10.5
186.01633	2.6
188.04672	0.3
191.03351	0.4
200.03152	0.3
201.05640	0.2
202.06401	0.3
204.04202	0.3
205.05151	0.2
213.05560	0.4
215.03407	0.7
216.04219	1.1
217.04909	0.2
219.02968	0.2
228.04118	0.4
229.04947	0.7
230.05759	0.8
231.06511	0.2
232.03793	1.2
233.04501	1.6
240.04185	0.3
241.04929	0.5
243.02930	0.7
244.03674	5.0
247.05952	0.3
257.04474	0.6
258.05295	1.3
259.06027	2.5
261.03922	1.0
262.04803	0.2
268.03629	0.5
269.04443	0.5
271.02411	1.6
272.03125	1.3
277.07074	0.3
285.03952	0.9
286.04745	1.9
287.05496	4.8
289.03448	1.5
296.03119	1.2
297.03830	0.4
299.01889	1.8
300.02719	0.7
301.03168	0.2
303.04904	0.2
313.03360	1.2
314.04205	24.4
315.04794	0.6
317.02905	14.3
319.08118	0.3
331.04468	0.2
332.05273	14.6
347.07608	100.0
348.07965	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48418	10.5
55.05518	53.4
55.31495	10.3
56.96564	20.5
57.03448	11.3
67.05511	100.0
69.07057	45.8
69.82899	24.2
69.83293	23.9
71.05006	26.3
79.05507	57.9
81.03402	21.5
81.07043	80.9
82.90708	11.0
83.04964	20.9
83.08615	21.3
85.10183	17.5
91.05472	52.3
93.07053	66.2
95.04952	31.6
95.08626	80.1
96.36539	11.4
97.06522	11.4
97.10164	23.1
98.97585	14.4
99.08080	13.1
105.07030	24.7
107.08584	63.5
109.10155	51.6
111.08047	13.8
113.09625	19.1
119.08572	23.9
121.10155	56.0
123.07995	15.5
125.09624	29.9
131.08594	19.6
133.10153	33.7
133.69034	13.2
135.11652	26.3
137.09573	19.6
139.11197	24.6
147.11682	13.0
149.09605	24.7
151.11211	17.2
153.08989	12.4
163.11191	16.2
167.10654	24.0
173.11761	27.6
173.13255	12.7
192.05171	14.1
209.11746	17.4
268.38550	12.9
272.82336	11.7
275.19943	34.2
284.05554	12.9
284.53397	13.1
293.21112	63.6
334.57477	11.4
346.06186	13.0
346.10037	36.7
346.19952	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	346.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05507	0.9
56.05038	7.2
57.03441	1.1
58.06602	3.5
60.04506	1.5
64.83748	0.5
67.05511	0.9
68.05039	0.5
69.03427	0.7
69.07072	5.8
70.06596	5.1
71.51604	0.7
72.08160	4.2
73.04031	1.7
74.06083	23.3
79.05507	0.9
81.07061	1.1
84.04511	8.3
84.08150	4.4
85.02905	0.8
86.06060	0.8
86.09711	56.0
87.05615	0.4
87.10086	0.6
88.03991	0.7
91.05478	5.4
94.04189	0.9
95.04958	0.6
96.08173	0.6
98.09683	1.3
98.97579	0.8
101.07150	18.1
102.05576	0.7
103.05435	0.5
104.04980	1.1
105.03377	0.8
107.04942	1.1
107.08530	0.5
109.06509	0.8
109.10187	0.7
110.07149	1.3
110.09687	0.7
112.08701	0.5
112.11285	0.5
113.09014	0.4
116.07085	0.6
119.04926	0.6
119.08183	0.7
120.08085	1.9
121.06522	2.3
122.03653	1.8
122.09632	0.5
123.04423	0.5
124.11224	2.0
126.09140	1.4
126.12788	1.2
129.10233	1.9
131.04918	1.0
132.05243	0.7
132.10187	3.3
135.04433	1.2
136.07585	1.0
137.05986	25.7
138.06326	15.5
142.12274	10.6
143.11807	5.4
145.02856	1.1
146.11772	0.5
147.04424	1.5
149.05978	1.7
151.06290	1.7
151.07477	0.5
161.06015	2.9
162.06458	0.5
163.03964	0.7
164.07022	3.0
165.07030	0.6
167.07045	1.7
169.13377	1.4
175.03957	0.7
175.07489	0.7
176.68167	0.5
177.05478	2.4
178.06004	0.6
178.07599	1.2
179.08551	4.0
180.09076	0.6
181.06522	0.5
183.05505	0.7
185.16522	0.5
187.11023	2.3
187.14429	100.0
191.07106	1.0
191.08646	0.7
192.07361	0.9
194.08142	0.5
199.18036	1.2
201.12505	0.6
206.09685	7.8
207.08072	2.7
210.06789	1.7
211.07353	0.7
215.13928	30.3
219.08076	0.7
221.05959	0.8
222.06177	0.7
223.07574	1.6
224.08240	1.3
224.10629	0.6
225.09158	5.3
225.11247	0.8
226.09607	0.5
232.07645	0.6
233.14977	0.7
234.09129	4.4
235.07545	1.2
235.09785	0.6
237.09387	0.5
239.06645	0.6
240.10194	20.3
242.11780	4.4
243.07642	1.5
245.18697	1.2
247.07552	0.6
250.08890	2.0
251.09511	0.8
252.07785	1.1
252.10202	15.6
253.08548	1.7
254.08948	0.8
255.09850	0.5
266.08972	1.0
267.10049	0.8
268.09888	1.2
270.11237	6.5
278.08441	1.4
279.10178	1.8
284.12888	1.2
286.11560	1.9
295.09305	1.0
296.09857	0.6
298.11606	1.3
302.17465	0.6
310.11536	1.6
311.12735	3.7
314.10284	7.1
328.12390	0.8
328.18680	0.5
329.13867	2.1
346.12897	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	346.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81822	0.5
55.05508	6.8
56.05014	0.6
57.05811	0.5
58.66801	0.6
60.04527	1.3
65.03965	0.6
69.07086	0.7
70.02952	2.3
70.06612	2.9
70.75510	1.6
72.08160	67.5
73.02922	0.8
75.91367	0.6
77.95578	0.5
82.06580	5.0
84.04507	1.5
84.08124	1.9
85.04036	1.1
86.06039	0.8
86.09711	38.0
88.03493	0.8
88.03999	11.3
91.05489	1.1
96.08131	4.2
98.02394	3.4
99.09216	2.0
100.03964	1.0
102.05526	0.5
103.47529	0.6
107.04891	0.6
110.07169	0.7
113.10744	1.2
118.08659	1.8
119.10397	0.5
120.08134	0.6
120.41991	0.5
124.07611	2.7
127.07752	0.8
127.08690	15.5
128.07088	2.8
128.09096	0.5
129.10245	1.3
132.10208	8.2
135.04439	1.0
137.05966	2.3
138.06339	0.9
138.09183	1.3
141.10246	5.1
142.08641	23.6
145.02872	1.1
150.06735	1.2
151.10294	0.6
152.07034	1.1
156.10207	3.9
163.03920	0.7
169.09738	6.0
170.08138	2.6
177.05492	2.3
183.11284	1.5
184.09711	1.3
187.10791	100.0
188.11118	1.2
201.12349	32.2
215.10278	29.9
229.11853	7.8
231.17021	1.6
285.11169	1.5
311.09171	1.0
328.18668	0.8
329.10126	1.6
346.17126	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1973
Annotation	Val Asp Leu
Peak:m/z	Relative Intensity
55.05513	9.6
55.31831	0.4
56.05039	1.1
56.96555	0.5
57.05820	1.1
60.04522	2.1
67.05512	0.7
68.35231	0.4
69.03422	0.6
69.07076	4.3
70.02953	1.3
70.06599	3.9
71.51926	0.5
72.08157	100.0
73.08490	3.3
74.06067	0.5
76.72667	0.5
78.99088	0.5
79.05485	1.0
81.03406	0.4
81.07048	0.6
82.06584	3.2
84.04507	2.5
84.08147	2.2
85.02893	0.6
85.04037	0.9
86.09707	43.3
86.50864	0.5
87.05635	0.6
87.10053	1.3
88.03989	10.4
89.49810	0.5
91.05490	2.0
92.05796	0.5
93.07026	0.6
94.35223	0.5
95.04997	0.5
96.08121	2.6
98.02432	1.6
98.09692	0.8
98.97591	0.7
99.09217	1.6
100.07639	0.5
102.05540	1.3
103.05502	0.5
104.07112	1.8
107.04979	0.7
110.02446	1.1
110.07170	0.8
110.09705	0.6
113.10770	1.0
115.05064	0.7
116.03488	0.9
116.07079	0.7
118.08696	1.3
119.04967	0.4
120.08119	0.9
121.06544	0.6
123.04448	0.6
124.07562	2.3
127.08691	7.5
127.09586	0.6
128.07101	0.9
129.10268	1.8
130.10606	0.6
131.04970	0.5
132.10210	12.4
133.06029	0.5
135.04462	0.6
136.07628	1.1
137.05988	3.1
137.32581	0.5
138.06361	0.7
138.09155	0.7
141.10234	5.1
142.08636	13.0
143.11819	1.0
144.06575	1.0
145.02867	1.1
147.04391	0.9
148.04878	0.5
149.06093	0.8
150.06718	0.6
152.07133	1.0
156.10191	4.9
157.13431	0.6
162.07634	0.5
163.03967	0.7
166.08708	1.7
167.07066	1.0
168.07532	0.9
168.77844	0.4
169.09724	8.4
170.08195	1.3
177.05531	1.9
183.11325	1.2
184.09756	0.7
185.16449	0.8
186.12379	0.5
187.10777	55.4
188.11172	0.6
197.12872	0.6
201.12341	23.8
212.09196	1.5
213.15993	0.6
214.11876	1.0
215.10283	31.7
215.13809	1.0
229.11835	6.7
231.17088	0.6
247.12917	10.5
251.07111	0.6
282.18076	0.8
285.11325	1.0
311.09064	0.5
328.25046	0.5
329.10394	1.0
346.19751	1.0
346.25989	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
56.96556	9.2
59.69088	1.1
60.04517	3.6
69.07065	3.1
70.06596	6.4
71.04982	1.1
71.52348	1.5
71.95263	1.4
72.08160	3.0
79.05489	4.6
81.03412	1.7
81.07082	5.1
84.04501	1.1
84.08139	3.3
84.96027	4.0
85.02911	2.0
86.09710	13.0
87.05562	1.4
91.05481	4.8
93.07047	4.4
95.04981	2.8
95.08628	2.8
96.85532	1.2
97.02919	1.3
97.06528	4.8
98.97587	100.0
103.05465	2.2
107.04952	1.2
107.08582	2.0
109.06512	1.4
109.10204	2.0
110.07173	1.3
110.97558	2.7
112.99133	19.7
116.97842	2.2
116.98627	32.5
117.03411	1.2
119.04935	2.4
119.08634	1.5
120.08114	2.6
121.06518	13.1
121.10136	1.4
124.05206	2.4
124.95484	3.8
128.98611	1.8
129.06943	1.3
129.10272	2.0
131.00180	19.1
131.04860	1.1
134.99635	8.1
137.06001	7.6
140.00230	2.8
140.98589	2.6
142.96519	3.9
144.98135	2.6
145.02864	1.3
146.03284	1.1
146.11774	4.4
146.99675	1.5
147.06828	2.9
149.01257	7.5
151.07550	1.4
158.99666	31.9
160.97557	3.3
162.99098	3.0
164.07066	3.1
173.01236	38.5
173.12952	7.4
176.10641	1.1
177.00706	21.1
177.05461	4.3
177.07816	2.8
178.05786	2.1
181.05002	1.4
184.97563	5.6
189.00769	1.7
191.02269	28.3
195.01849	1.1
200.02307	2.1
201.00713	12.6
201.12447	1.4
202.98628	15.1
208.81422	1.1
214.03894	3.3
219.01807	13.1
220.99675	2.1
226.00327	1.4
226.98593	4.1
237.02727	1.2
242.03366	2.7
244.99707	43.9
263.00757	10.6
273.13690	3.8
286.02271	1.3
302.17502	28.2
314.10791	1.6
323.02808	2.2
331.04126	1.7
331.08200	1.6
346.06348	2.7
346.13174	4.5
346.20212	14.9
346.24805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
56.96556	9.2
59.69088	1.1
60.04517	3.6
69.07065	3.1
70.06596	6.4
71.04982	1.1
71.52348	1.5
71.95263	1.4
72.08160	3.0
79.05489	4.6
81.03412	1.7
81.07082	5.1
84.04501	1.1
84.08139	3.3
84.96027	4.0
85.02911	2.0
86.09710	13.0
87.05562	1.4
91.05481	4.8
93.07047	4.4
95.04981	2.8
95.08628	2.8
96.85532	1.2
97.02919	1.3
97.06528	4.8
98.97587	100.0
103.05465	2.2
107.04952	1.2
107.08582	2.0
109.06512	1.4
109.10204	2.0
110.07173	1.3
110.97558	2.7
112.99133	19.7
116.97842	2.2
116.98627	32.5
117.03411	1.2
119.04935	2.4
119.08634	1.5
120.08114	2.6
121.06518	13.1
121.10136	1.4
124.05206	2.4
124.95484	3.8
128.98611	1.8
129.06943	1.3
129.10272	2.0
131.00180	19.1
131.04860	1.1
134.99635	8.1
137.06001	7.6
140.00230	2.8
140.98589	2.6
142.96519	3.9
144.98135	2.6
145.02864	1.3
146.03284	1.1
146.11774	4.4
146.99675	1.5
147.06828	2.9
149.01257	7.5
151.07550	1.4
158.99666	31.9
160.97557	3.3
162.99098	3.0
164.07066	3.1
173.01236	38.5
173.12952	7.4
176.10641	1.1
177.00706	21.1
177.05461	4.3
177.07816	2.8
178.05786	2.1
181.05002	1.4
184.97563	5.6
189.00769	1.7
191.02269	28.3
195.01849	1.1
200.02307	2.1
201.00713	12.6
201.12447	1.4
202.98628	15.1
208.81422	1.1
214.03894	3.3
219.01807	13.1
220.99675	2.1
226.00327	1.4
226.98593	4.1
237.02727	1.2
242.03366	2.7
244.99707	43.9
263.00757	10.6
273.13690	3.8
286.02271	1.3
302.17502	28.2
314.10791	1.6
323.02808	2.2
331.04126	1.7
331.08200	1.6
346.06348	2.7
346.13174	4.5
346.20212	14.9
346.24805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01875	13.6
55.05512	40.7
56.13492	3.1
56.96563	7.8
57.03445	4.6
57.07066	7.2
67.05141	3.3
67.05505	63.9
69.03425	8.7
69.07072	61.3
71.04984	9.5
71.51746	5.6
71.52126	2.9
79.05500	53.5
81.03386	4.1
81.06598	4.7
81.07059	71.1
81.53014	2.6
83.05004	14.3
83.08625	27.6
84.08151	3.3
85.06533	5.8
85.66357	2.7
91.05494	24.6
91.85963	3.2
93.07042	65.1
95.04968	6.6
95.08610	56.9
97.06529	21.3
97.10172	40.9
98.97620	4.2
99.10211	2.6
104.99287	16.3
105.07043	18.9
107.08595	54.3
109.06511	8.6
109.10159	27.0
111.11804	2.7
117.07034	3.4
119.08571	18.8
121.02997	2.8
121.06521	3.2
121.10148	46.5
123.08066	36.8
123.11706	5.2
125.09632	36.8
127.41136	2.9
131.08556	9.6
133.10112	16.8
135.08049	4.4
135.11697	41.7
137.05934	3.2
137.09601	13.3
139.11209	21.0
143.08527	4.5
143.72668	3.2
145.02750	3.0
145.10115	8.7
146.03247	4.8
147.11682	10.4
149.09534	3.9
149.13245	10.5
151.07558	9.9
151.11179	3.2
153.09087	4.4
153.12721	24.3
157.10063	5.3
159.11687	7.1
161.13240	9.6
171.11662	6.4
173.13260	4.4
175.14839	12.3
178.05826	4.1
185.13274	5.9
189.11174	20.7
203.12781	7.2
231.21080	7.7
241.19487	11.7
249.22154	12.7
259.20486	23.2
262.98105	10.1
274.65521	4.1
277.21646	100.0
283.66034	3.3
287.05399	3.8
295.22705	92.1
309.24307	5.6
312.06403	4.4
313.03418	7.0
315.01328	5.3
315.04877	6.1
327.07660	5.0
327.25192	11.1
330.03543	6.5
330.07278	4.4
345.05933	16.9
345.09680	37.7
345.13699	5.6
345.19586	6.2
345.23923	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.187
Annotation	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
Peak:m/z	Relative Intensity
58.99831	0.7
60.05637	0.6
69.07056	2.4
70.06589	5.0
70.23890	2.6
70.34096	0.7
72.08141	1.6
82.99861	2.2
84.08143	1.5
86.09704	49.6
97.06540	4.4
100.02492	1.1
101.00882	16.8
112.08670	0.8
116.07092	0.7
118.03562	3.5
119.01920	24.0
126.07642	1.2
131.01865	1.3
132.10204	1.1
137.02951	3.2
142.07144	2.6
143.11755	0.8
144.08707	3.8
154.03401	0.7
154.07143	1.5
155.05545	1.1
160.08182	3.9
162.09731	1.6
168.08638	4.2
172.08182	12.3
173.02939	1.2
173.06578	1.5
174.09793	0.7
175.11937	1.1
186.09750	27.1
189.10797	0.9
190.09210	1.7
191.07712	1.4
194.63115	0.6
196.08157	1.8
197.06577	2.7
204.10794	4.9
208.10301	2.1
212.24039	0.6
214.09242	49.3
215.07605	2.2
232.10306	100.0
239.16048	2.3
240.14427	2.5
243.02031	0.8
255.11926	1.6
257.17154	3.9
267.15417	1.5
268.13867	0.9
273.17050	0.7
275.18155	3.2
285.16568	16.5
286.14810	1.0
303.17642	66.9
304.17957	0.8
321.18622	3.5
326.19492	0.9
345.18597	1.3
345.22321	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	345.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.05510	4.7
56.05030	2.4
57.05809	0.7
60.04514	1.2
60.05669	0.7
61.01154	1.1
61.65960	0.6
62.25107	0.6
63.00735	1.0
63.60396	0.5
69.03426	1.8
69.07070	11.3
69.88898	2.6
70.02960	2.2
70.06596	28.4
71.04994	0.7
71.06925	3.1
71.08616	0.6
72.08159	54.8
74.06088	1.5
75.05621	1.1
79.05485	1.3
82.06584	2.4
83.06130	1.2
84.04508	5.8
84.08146	14.5
85.02913	4.5
85.04016	2.4
85.08488	0.9
86.03288	0.7
86.09711	100.0
87.05590	7.6
87.10031	3.7
88.03997	3.3
89.03922	0.8
91.05498	3.2
94.04159	0.6
96.08129	3.5
97.02913	1.7
97.81776	0.5
98.02420	5.3
98.09692	1.2
98.97628	1.0
99.09201	1.5
102.05576	0.9
104.05357	1.4
104.07130	1.6
106.04951	0.9
107.04981	1.9
109.06561	0.7
110.02414	3.3
110.07175	3.3
110.09686	0.9
111.04494	0.9
112.08751	1.6
112.11252	2.1
113.10766	1.5
115.05104	0.6
115.08703	0.8
116.07095	15.6
117.03380	1.0
117.07459	6.0
118.08665	4.1
119.04943	3.1
120.05277	1.2
120.08128	2.4
121.06529	1.0
122.03665	1.6
123.04500	0.7
124.03941	0.8
124.07601	1.8
127.08705	9.0
129.06598	1.0
129.09338	1.3
129.10245	10.8
129.11147	1.1
129.13901	1.2
131.04961	1.7
132.10207	5.8
135.04396	1.9
136.07608	1.8
137.05984	19.6
138.06383	1.5
138.09155	2.7
139.08667	0.8
141.10234	15.0
143.11803	7.5
145.02870	1.5
145.04959	1.1
147.04413	9.1
148.04767	8.4
149.05988	1.2
150.06720	0.8
151.03909	1.5
151.07530	0.7
152.07072	7.7
153.05536	0.9
153.08960	0.7
155.11809	8.7
155.13013	0.9
156.10233	0.9
157.09740	2.5
157.13277	0.7
161.05959	0.9
163.03915	7.4
163.07568	1.0
164.07121	0.8
165.05511	4.9
166.05853	4.2
166.08659	2.0
167.07031	2.1
169.09729	4.5
171.11333	2.2
173.09276	2.8
174.11176	0.9
175.07521	1.6
175.10806	2.8
177.05507	1.4
181.08623	1.1
183.11292	6.9
186.12396	19.3
187.10800	1.1
189.12387	4.2
191.06989	1.3
195.08055	0.6
197.09370	1.0
198.07631	3.7
200.13960	29.7
201.12361	3.1
202.12759	2.7
204.10217	0.7
211.07555	0.6
211.10837	2.5
214.11880	10.9
214.15321	0.6
215.10262	3.8
215.13916	0.7
219.13362	1.2
220.09665	0.8
221.05978	0.8
223.07608	0.7
228.13426	20.6
228.15575	1.1
229.11929	1.2
232.12947	6.6
235.07506	0.8
237.09215	0.8
241.15564	2.3
242.15048	1.4
246.14488	3.2
253.08696	0.9
265.15521	0.8
267.10220	1.1
282.18066	3.1
285.11203	0.7
294.08951	1.1
295.09613	0.9
300.19232	1.3
309.11411	2.0
311.16092	2.2
313.03333	0.8
313.10764	0.8
327.12222	1.3
327.20288	2.2
328.18707	2.4
334.22244	0.6
345.05957	1.4
345.10052	1.4
345.14648	3.4
345.21646	4.7
365.25800	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Peak:m/z	Relative Intensity
50.64348	0.4
55.01862	0.7
55.05509	0.9
56.05029	0.7
58.06587	0.5
60.04516	0.7
65.03943	0.6
67.05537	0.5
69.03435	0.7
69.07054	1.4
70.06593	9.8
70.61765	0.6
70.62096	1.0
71.06916	1.1
72.08157	11.3
74.06083	0.8
79.05496	1.5
81.03415	0.5
81.07073	1.0
84.04498	3.5
84.08150	5.0
85.02888	1.9
86.06061	0.9
86.09713	17.6
86.10247	0.8
87.10022	0.6
88.04002	1.0
89.03895	0.5
91.05497	3.0
93.07049	0.5
94.04212	3.1
95.04963	0.4
97.02904	0.9
98.97612	0.6
102.05527	0.9
103.05485	2.0
105.07041	1.1
107.04940	0.9
109.06524	0.9
110.07169	1.4
111.04443	0.8
112.08708	0.5
112.11250	1.5
115.05486	2.7
116.07085	3.1
117.03369	0.5
117.07391	0.4
119.04942	1.8
120.06615	0.6
120.08103	0.9
121.06477	0.7
122.03654	7.4
123.04462	0.6
125.06006	1.0
127.03912	0.5
129.10236	6.5
129.13907	0.8
131.04961	3.4
133.02846	1.0
133.06378	0.6
135.04396	1.9
135.14662	0.5
136.07591	1.0
137.05983	100.0
138.06355	0.5
143.04890	2.7
143.11797	1.8
144.06592	1.1
145.02861	0.9
147.04379	2.4
147.08063	0.6
148.04787	1.9
149.05989	1.7
150.06732	0.6
151.03914	1.4
151.07529	1.5
152.06216	0.5
153.05539	1.0
153.06882	0.5
157.09706	0.7
159.04362	1.1
160.05171	0.8
161.06017	4.5
161.09198	1.2
163.03914	5.2
163.07483	1.4
165.05522	1.6
165.07024	1.3
166.05893	0.9
167.07089	0.8
167.08530	1.4
171.11311	1.2
175.07579	5.5
175.10794	1.1
176.04671	0.8
177.05499	1.5
177.06950	0.5
178.07828	1.5
178.13347	0.6
179.07043	3.3
179.08589	2.6
181.06438	0.9
182.07216	0.8
189.07123	1.0
189.12399	1.3
190.06264	0.5
191.07050	3.8
193.06628	1.0
194.07291	1.1
195.08066	1.7
195.58224	0.4
199.18147	0.7
201.10298	0.4
201.12302	0.8
202.12672	0.8
203.07027	2.0
205.06537	1.9
206.07278	1.6
207.08015	2.5
209.05901	0.5
210.06792	1.0
211.07492	0.5
216.46983	0.5
220.09744	0.8
221.06015	1.5
221.07997	0.9
222.06837	1.2
223.07600	1.6
224.08305	1.1
225.09102	1.9
225.16008	0.5
233.05949	1.1
234.06784	2.0
235.07568	2.2
237.09143	1.6
238.06346	1.0
239.07129	0.8
239.10707	1.9
239.33917	0.5
249.08972	1.2
251.06915	2.5
252.07837	0.6
253.08629	2.8
255.10155	0.8
262.06219	0.8
263.07385	0.5
265.08578	3.2
266.09415	0.7
267.10135	4.7
268.10425	0.4
269.08240	0.7
270.08936	0.9
277.08646	3.1
278.89236	0.5
279.06708	0.7
284.10333	0.9
285.11292	3.6
294.08893	3.3
295.09702	2.5
297.11346	1.6
299.12906	1.6
309.11276	6.7
315.01346	0.5
315.12265	1.4
327.12241	3.4
345.06027	0.7
345.13593	2.8
345.18347	0.6
345.22214	1.4
365.25461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05479	0.3
65.03919	0.3
66.04705	0.3
69.49430	1.6
70.06584	1.5
72.08147	2.2
74.75686	0.2
79.05482	0.8
80.06820	0.2
81.07055	0.5
83.04958	0.2
84.04514	0.3
84.08141	1.2
86.09701	0.5
91.05488	1.9
93.03400	0.2
94.04185	2.8
98.20834	0.3
103.05456	0.8
105.07047	0.3
107.04946	0.7
109.06499	1.1
112.08736	0.2
115.05449	1.5
116.62935	0.3
119.04940	0.7
121.06497	1.2
122.03649	7.2
123.04418	0.3
125.06001	0.4
129.10237	0.7
131.04950	1.7
133.02852	0.9
133.06499	0.3
135.04430	0.6
137.05978	100.0
138.06310	0.8
143.04944	1.3
146.03612	0.4
147.04414	1.0
148.05165	0.2
149.06001	2.4
149.56332	0.2
150.06694	0.5
151.03900	0.4
151.07529	0.6
152.06245	0.2
153.05428	0.3
153.06958	0.3
154.07759	0.3
159.04465	1.1
160.05217	0.9
161.05998	3.2
162.06822	0.2
163.03926	1.0
163.06088	0.2
163.07524	0.7
165.05511	1.0
165.07007	1.2
167.08566	0.4
172.05161	0.3
174.06656	0.3
175.07536	3.1
176.04688	0.7
177.05492	0.6
177.07004	0.3
178.07765	0.7
179.06979	0.7
179.08589	1.6
181.06509	0.9
182.07272	0.9
189.07027	0.5
190.06198	0.4
191.07034	4.5
191.08487	0.2
193.06512	1.5
193.08051	0.2
194.07294	0.6
195.08095	0.7
197.05963	0.3
203.07019	1.6
203.88846	0.2
205.06528	1.2
206.07343	0.5
207.08084	1.6
209.05966	0.5
210.06749	1.2
211.07576	0.6
213.09135	0.3
217.06627	0.3
221.06007	1.9
221.08131	1.0
222.06834	0.5
223.07556	0.9
224.08289	0.8
225.09064	2.1
227.07140	0.5
228.13472	0.4
233.05992	0.9
234.06743	1.3
235.07576	1.0
237.09048	1.9
238.06271	1.0
239.10654	1.0
241.08627	0.4
247.07712	0.3
249.09117	1.7
250.06181	0.6
251.06961	1.2
252.07816	0.7
253.08606	3.0
255.06541	0.4
262.06335	0.6
263.07001	0.5
265.08621	2.8
266.09216	0.4
267.10181	3.3
269.08093	0.3
270.08942	0.5
273.11133	0.5
277.08554	2.8
279.06436	0.5
282.08762	0.6
285.11230	3.5
289.36090	0.3
294.08810	1.9
295.09769	1.1
296.10519	0.4
297.11215	2.4
299.12778	0.7
309.11200	3.7
315.12277	0.3
327.12289	1.1
345.06079	0.3
345.14648	1.8
345.22055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.05507	1.3
56.05022	0.6
65.03913	0.5
69.03423	0.6
69.07067	1.9
70.06592	3.9
70.79155	0.7
70.79517	0.4
72.08160	18.3
75.05596	1.5
77.03919	0.4
79.05490	0.9
81.03402	0.4
81.07062	0.8
84.04500	1.0
84.08148	2.7
85.02885	0.7
86.09712	21.7
87.05621	0.4
88.04012	0.3
91.05475	2.5
93.03362	0.5
94.04205	2.9
95.04960	0.5
96.37122	0.4
97.02918	0.4
98.02441	0.3
102.05539	0.5
103.05487	1.1
105.03441	0.4
105.07042	1.2
107.04951	0.6
109.06530	0.9
110.07167	0.8
111.04445	0.7
112.08775	0.4
115.05474	2.7
115.08675	0.4
116.07119	1.6
117.03401	0.4
118.08581	0.4
119.04949	1.2
119.13312	0.3
120.08079	0.5
120.23463	0.4
121.06541	0.9
122.03651	7.6
123.08044	0.6
125.05959	0.5
127.08666	0.4
127.95654	0.3
129.10246	2.8
129.13902	0.4
129.92378	0.3
131.04964	3.0
132.10202	0.8
133.02859	1.1
134.03632	0.4
135.04391	0.6
135.08061	0.5
137.05983	100.0
138.06316	0.9
143.04910	2.3
143.11794	6.5
145.02888	0.6
145.06461	0.4
146.03593	0.6
147.04393	2.6
147.08047	0.4
148.04759	1.6
149.06017	1.1
151.03918	1.4
151.07565	1.6
152.07130	0.5
153.05431	0.6
157.09729	0.9
159.04456	0.9
160.05193	1.1
161.05983	3.8
163.03955	2.1
163.07550	1.3
165.05499	1.6
165.07014	1.2
166.05817	0.6
166.07780	0.4
167.07115	0.6
167.08551	0.9
171.11345	3.1
173.09190	0.4
175.07576	4.2
175.10794	4.9
176.04735	0.5
177.05513	1.3
178.07808	1.2
179.07057	2.9
179.08595	2.0
181.06514	0.7
182.07164	0.4
189.07004	0.6
189.12320	1.9
191.07057	3.1
193.06525	1.3
193.08719	0.3
194.07249	0.6
195.08098	1.2
196.08807	0.5
197.06017	0.5
198.07657	0.7
201.12227	0.4
203.07039	2.3
205.06554	1.4
206.07234	1.0
207.08037	2.2
210.06824	1.2
211.07651	0.5
214.11911	1.2
217.06490	0.6
221.05966	1.7
221.08012	0.7
222.06775	0.8
223.07564	1.9
224.08395	1.0
225.09117	1.3
225.15961	0.5
227.07086	0.5
228.13470	1.3
232.12997	1.0
233.06007	1.1
234.06798	2.0
235.07652	2.2
236.08308	0.6
237.05638	0.4
237.09125	2.1
238.06287	1.1
239.07095	0.5
239.10712	1.4
240.07813	0.4
241.08676	0.5
246.14561	0.8
249.09071	2.0
251.07027	2.0
252.08014	0.8
253.08682	2.2
255.10141	0.8
262.06384	0.7
263.07147	0.4
265.08588	3.5
266.09503	0.5
267.10175	5.1
269.08200	0.9
270.08792	0.6
270.18231	1.0
277.08661	3.0
279.06464	0.5
282.08862	0.7
283.09750	0.8
284.10596	0.8
285.11227	2.6
294.08893	2.5
295.09680	3.0
297.11218	2.1
299.12781	1.4
309.11227	6.1
313.10599	0.5
315.12250	1.6
327.12439	3.2
345.06143	0.6
345.13159	2.7
345.22018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1335
Annotation	Piperphilippinin I
Peak:m/z	Relative Intensity
55.01865	0.4
59.56814	0.2
65.03919	0.3
66.04713	0.3
67.05508	0.3
69.03440	0.3
69.81496	0.2
70.06593	0.7
70.08624	0.6
72.08157	0.6
79.05495	1.1
81.07055	0.6
84.08146	0.5
86.09731	1.3
91.05490	1.6
94.04192	3.0
95.04959	0.5
100.07149	0.2
101.99476	0.2
103.05486	1.2
105.04502	0.2
105.07057	0.2
107.04981	1.1
107.53252	0.2
108.25998	0.2
109.06517	0.8
111.04420	0.5
115.05475	1.4
118.71495	0.2
119.04968	0.5
121.06511	0.8
122.03659	8.3
123.04406	0.3
124.05250	0.2
125.05999	0.6
131.04947	1.7
132.05656	0.3
133.02866	0.9
133.06499	0.3
135.04410	0.5
137.05986	100.0
138.06349	0.8
143.04964	1.3
145.06566	0.4
146.03607	0.4
147.04436	0.5
147.08032	0.3
149.06015	1.4
151.03874	1.0
153.05482	0.5
153.07065	0.3
154.07794	0.3
159.04431	0.8
160.05228	0.9
161.05992	2.9
162.06764	0.3
163.03857	0.3
163.07579	0.5
165.05550	0.4
165.07018	1.6
167.07069	0.9
167.08456	0.4
172.05191	0.4
175.07588	2.7
176.04718	0.7
177.05479	0.7
177.06989	0.5
178.07755	0.9
179.07101	0.4
179.08586	1.8
181.05064	0.2
181.06529	0.8
182.07268	0.9
183.06494	0.2
187.14438	0.5
188.04655	0.2
189.07019	0.5
191.07048	4.5
191.08723	0.2
192.07785	0.4
193.06487	1.3
194.07292	0.7
195.08087	0.7
196.08807	0.2
197.06030	0.3
197.09752	0.5
199.07629	0.3
203.07031	1.7
205.06544	1.0
206.07350	0.7
207.08073	2.2
209.05937	0.4
210.06778	1.4
211.07550	0.8
217.06439	0.3
218.07346	0.3
221.06018	2.5
221.08012	0.5
222.06781	0.9
223.07597	0.8
224.08344	1.4
225.09068	1.8
227.07108	0.4
233.06000	0.9
234.06741	1.2
235.07552	1.4
237.05563	0.4
237.09090	1.6
238.06273	1.1
239.07066	0.5
239.10651	1.0
241.08641	0.3
249.09059	1.1
250.06259	0.4
251.06966	1.2
252.07899	0.8
253.08659	2.7
255.06589	0.5
255.10274	0.4
262.06198	0.3
263.06985	0.4
265.08594	2.6
266.09357	0.5
267.07483	0.4
267.10129	2.5
269.08136	0.7
270.08972	0.4
273.11292	0.3
277.08606	2.4
278.09247	0.2
279.06586	0.5
281.08173	0.3
282.08896	0.3
283.09784	0.3
284.10574	0.4
285.11209	4.0
294.08899	1.8
295.09756	1.0
297.11206	2.4
299.12787	0.8
309.11282	3.9
313.10709	0.3
315.12402	0.3
327.12350	1.2
345.06308	0.2
345.13318	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0969
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.96850	0.3
55.12323	0.3
65.93307	0.3
68.99800	3.3
69.47125	1.5
69.47546	1.1
77.97224	0.3
78.22764	0.4
84.88560	0.3
96.21435	0.4
103.05466	0.9
115.05450	0.5
121.06510	0.7
131.04930	1.4
134.03693	0.6
138.03140	0.8
139.00273	1.7
145.06468	1.0
148.05194	3.8
149.05959	2.8
151.03923	1.0
153.01839	2.8
153.05487	0.7
161.06032	2.7
162.06802	1.5
163.07588	0.7
166.02666	1.1
166.99774	2.8
168.00523	2.9
169.01331	5.8
169.02641	0.5
179.03419	1.5
180.00511	0.5
182.02129	2.2
183.02937	1.0
185.00826	4.5
194.02127	0.5
198.01617	1.4
199.58260	0.4
200.03174	0.6
213.05577	0.7
227.03531	0.4
231.06461	0.5
238.06303	0.6
241.04985	0.8
251.03311	0.5
254.05765	0.4
255.06520	0.6
256.07300	0.6
259.06039	0.9
266.05676	2.0
269.04443	4.5
282.05222	0.6
283.06039	3.7
284.03214	1.7
284.06866	2.1
285.07559	0.6
286.04663	0.9
287.05417	3.7
294.05222	2.3
295.06003	0.5
297.03992	4.6
298.04654	1.2
299.05518	10.4
301.07004	0.4
311.05551	1.8
312.06265	10.0
313.06790	0.6
315.04974	8.7
315.08640	0.6
329.06552	1.4
330.07315	11.0
345.09695	100.0
346.09995	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0972
Annotation	8,3'-Dihydroxy-7,4',5'-trimethoxyflavone
Peak:m/z	Relative Intensity
51.40896	0.4
67.05488	1.3
68.99792	4.3
69.07075	0.7
70.93707	1.2
79.05485	0.6
81.07066	0.9
91.05485	1.0
95.04999	0.7
95.08579	0.8
104.99249	0.5
105.07014	0.9
107.04925	0.6
107.08569	0.9
109.10179	0.7
117.03373	0.6
119.08587	0.7
121.06499	0.9
125.02351	0.5
131.04945	1.2
133.10138	0.6
134.03673	0.8
135.11627	0.6
137.06021	0.8
138.03136	0.7
139.00229	3.2
145.02843	1.3
148.05202	4.0
149.05989	4.2
150.39722	0.5
151.07593	0.7
153.01825	3.5
153.05453	0.7
161.06110	0.5
166.99811	2.4
169.01323	2.4
169.36829	0.6
177.05530	2.4
178.05763	1.7
181.06306	0.6
182.02017	3.0
183.02875	1.3
184.03630	0.9
185.00835	6.9
191.07031	0.7
198.01561	1.8
198.06425	0.6
200.03157	0.9
209.04395	0.7
210.46854	0.6
214.21228	0.4
217.59985	0.5
227.06937	1.3
244.03578	0.5
245.04539	0.7
255.06387	0.5
256.07339	0.9
266.05734	0.6
269.04453	7.3
271.06064	7.5
282.05267	1.0
283.05991	0.9
284.06638	0.8
287.05484	2.8
294.05328	1.6
297.03943	7.1
298.04636	1.8
299.05481	10.6
299.08649	0.5
311.05533	1.3
312.06274	6.4
313.03653	0.8
313.07172	1.1
313.10669	1.5
315.01581	0.9
315.04944	11.5
330.03699	1.6
330.07315	16.7
338.53741	0.6
345.06131	6.3
345.09692	100.0
346.10013	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.3
53.38926	2.1
54.82802	2.4
55.01868	5.5
55.05271	3.2
55.05515	45.9
57.07061	2.4
58.06576	4.0
67.05514	30.3
69.03420	6.0
69.07063	14.2
71.08638	41.2
71.52399	3.6
79.05490	21.2
81.03402	3.5
81.07060	23.6
83.08617	27.2
85.06522	2.1
88.07647	2.2
91.05482	8.1
93.07050	16.8
94.46453	2.3
95.04964	5.0
95.08593	8.5
97.10181	77.3
99.08097	38.4
104.99263	6.7
105.07021	5.7
107.08599	34.3
109.06533	3.9
109.10137	9.1
117.03404	3.5
117.07059	3.5
119.08591	5.4
121.10081	3.0
121.18056	2.6
125.09641	78.0
126.12784	3.5
133.10156	6.1
135.08073	17.4
135.11681	8.2
139.07549	4.5
145.02838	10.0
145.10089	6.5
147.11707	3.0
149.13219	4.1
149.71286	2.6
151.11182	15.7
153.09117	14.0
157.12231	6.9
161.13234	7.2
163.11179	6.0
171.10165	5.3
175.14749	3.2
177.05513	23.1
179.14299	4.4
185.11761	4.0
192.10088	3.9
193.15959	2.6
203.12788	100.0
225.18472	6.7
239.19942	2.5
241.19583	7.9
259.20578	9.5
262.98038	3.2
277.21643	62.4
282.65302	4.6
284.29413	3.9
291.23221	19.8
309.24265	35.3
313.03522	2.7
321.22745	3.0
326.26535	2.6
344.15463	2.6
344.18716	22.3
344.31470	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
54.93813	1.7
55.01867	2.5
55.05515	12.7
57.07061	3.5
67.05505	43.8
69.07076	14.2
69.43492	11.7
71.04992	6.4
71.08620	6.8
72.25201	1.7
79.05492	16.1
81.03387	2.8
81.06599	2.3
81.07059	37.5
83.04969	5.4
83.08607	7.0
85.06528	1.9
88.07636	3.8
91.05468	8.5
93.07043	21.7
95.04955	4.8
95.08609	23.3
97.06516	4.6
97.10162	2.9
99.08095	3.3
105.07013	7.6
107.08589	12.1
108.52876	1.9
109.06509	2.4
109.10165	28.2
111.08093	3.6
117.03297	2.0
117.06986	2.5
119.08584	11.3
121.10147	17.8
123.11697	2.3
129.06995	1.9
129.83336	1.9
131.08510	5.2
133.10106	4.2
135.11737	14.0
137.09604	2.0
139.11148	7.1
145.02844	5.7
145.10098	3.3
147.11717	3.7
149.13231	7.5
151.11180	3.6
155.10661	8.0
155.14304	2.1
159.11734	3.1
161.13304	3.4
171.11676	2.1
173.11755	26.1
175.14792	2.1
177.05475	7.4
177.12773	3.6
180.61470	3.0
187.13344	7.3
195.13786	3.9
241.19453	4.5
249.22275	2.6
259.20599	7.1
262.98093	3.5
277.21634	29.2
284.26730	3.3
285.27011	8.1
291.23172	7.5
295.22653	2.6
309.24249	3.1
344.18933	26.4
344.25595	100.0
344.34631	8.4
344.38312	8.6
345.06158	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2547
Annotation	Val Ile Leu
Peak:m/z	Relative Intensity
52.73259	0.3
55.05519	3.0
56.05038	0.6
58.32483	0.3
65.03955	0.3
69.07082	4.3
69.96638	1.3
70.06602	4.7
71.06937	0.4
72.08163	40.4
73.81836	0.3
80.43329	0.4
80.96503	0.3
81.07076	0.5
84.04498	0.6
84.08156	1.2
86.09716	100.0
87.10043	0.8
90.06847	0.4
91.05500	1.4
92.05828	0.4
107.60586	0.3
110.07190	0.5
114.09217	0.4
118.08663	0.4
120.08130	0.5
129.10283	0.7
130.06548	0.4
130.08685	0.7
132.10231	1.4
137.05981	1.1
145.02898	1.2
149.05988	0.6
151.03951	0.9
152.04323	0.4
177.05513	2.1
178.05873	0.4
185.16513	39.6
199.18089	10.3
213.15999	20.9
213.18059	0.8
227.17555	5.5
231.17072	1.9
245.18619	2.4
259.07635	0.4
302.12451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	6.2
55.01865	11.1
55.05514	53.8
56.05019	8.4
57.03428	10.3
57.07082	27.5
60.04527	10.4
67.05505	95.5
69.03415	16.3
69.07082	39.7
69.33997	24.5
69.34424	22.2
71.04999	12.3
71.08638	32.0
74.06071	20.0
79.05497	58.6
79.06361	5.9
81.03387	9.2
81.07061	100.0
83.05001	28.6
83.08619	35.0
85.06547	15.7
85.10205	7.6
88.04004	7.2
88.07647	43.6
91.05489	41.4
93.07044	84.7
95.04946	18.7
95.08610	75.9
97.06512	22.0
97.10167	15.3
98.21528	10.7
99.08100	27.9
104.99270	7.8
105.07037	42.4
106.05032	16.6
107.04958	8.4
107.08598	38.1
109.06520	9.9
109.10144	42.9
111.08055	10.4
117.03337	5.6
117.06995	10.6
119.08575	32.7
121.10143	34.5
123.08028	9.5
123.11673	7.4
125.09618	9.5
131.08562	19.7
133.10121	25.4
135.08046	7.3
135.11699	18.4
137.09596	9.0
139.11214	47.9
141.09096	6.0
141.23145	5.4
145.02844	10.8
145.10139	13.2
147.11652	25.2
149.13246	25.1
151.11186	15.1
154.24655	7.5
155.10632	7.7
157.10130	9.6
159.11682	14.3
161.13245	12.8
163.11234	12.8
165.12784	8.6
171.11696	11.9
173.11751	21.2
175.11189	6.6
175.14799	13.1
177.05432	28.8
177.12727	8.2
179.14331	9.3
187.13383	8.3
192.10208	6.2
193.12218	15.3
195.13792	18.5
195.52525	7.5
207.13817	8.2
217.19533	9.3
241.19492	16.6
259.20526	22.5
277.21606	77.1
291.23346	28.5
298.31000	10.9
309.24249	17.8
321.22861	9.7
344.18845	33.3
344.31540	70.4
344.38171	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11559	2.1
55.01869	3.3
55.05506	6.7
57.03432	7.1
58.06560	2.0
67.05508	20.0
69.03420	2.8
69.07066	24.9
69.73627	6.0
69.74041	6.1
70.06586	6.4
71.04983	10.2
72.08163	2.3
73.02920	3.0
79.05498	17.4
81.03406	11.1
81.07066	24.0
82.04642	2.1
83.04971	5.0
83.08622	3.9
84.08152	4.2
85.02922	2.6
85.06583	3.5
86.09748	2.4
89.03913	5.2
91.05488	24.3
93.07051	15.8
95.04962	12.9
95.08617	9.2
97.06531	25.6
97.10134	2.9
98.21461	2.2
98.97635	3.3
99.08117	3.6
101.34644	2.1
105.07032	10.4
107.04966	2.6
107.08606	9.8
109.06534	10.5
109.10159	5.7
110.07164	2.2
111.08074	3.5
112.02190	3.4
115.07574	19.0
117.03392	18.9
117.07029	4.1
119.04935	8.1
119.08584	6.5
119.86578	2.1
121.06484	3.2
121.10135	6.5
123.08076	6.7
125.09635	3.0
129.10168	2.1
131.08592	8.2
133.10162	5.5
135.07991	3.8
135.11673	5.1
140.01622	2.9
143.08580	3.1
145.02864	51.6
145.10091	2.5
147.11679	2.3
149.06018	5.0
149.09622	5.2
149.13297	2.7
151.07584	8.7
152.07130	2.1
159.11710	3.4
161.13286	2.8
167.08534	2.3
168.01138	11.9
177.05479	100.0
186.02116	2.4
187.11205	2.0
195.13789	3.4
201.12764	2.6
223.13275	5.0
273.18558	6.3
291.19510	12.1
311.01376	2.9
312.06226	5.3
315.05188	2.5
326.03711	8.9
330.07370	5.1
344.11646	2.8
344.18661	11.9
345.05963	2.9
345.09729	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	344.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
55.05513	6.1
56.05030	1.1
56.96569	1.0
57.05809	0.7
60.04533	0.5
65.03917	0.5
67.05512	0.5
69.03409	0.7
69.07079	4.8
70.06590	7.2
70.28506	0.6
70.28859	1.8
70.71426	0.4
71.06915	0.5
72.08160	56.7
84.04523	0.8
84.08139	3.3
85.02909	1.1
86.09711	100.0
87.10085	0.5
89.03912	3.8
91.05482	6.1
93.07049	1.6
94.65118	0.4
95.04984	0.8
98.97595	1.2
103.05474	1.1
106.04994	0.5
110.07159	0.8
117.03394	11.5
119.04952	6.1
120.08121	1.7
121.06514	3.3
122.02787	0.7
126.50343	0.5
128.98599	0.5
129.10252	1.8
132.10246	2.7
134.03665	0.9
135.04445	0.6
136.05251	0.6
137.05983	1.1
137.82257	0.6
145.02856	30.4
147.04417	5.2
149.05978	4.1
151.03918	1.2
151.05003	0.5
151.07567	3.8
163.03859	1.1
167.07066	0.7
172.11523	0.5
175.03908	3.0
177.05481	58.0
178.05968	0.5
179.07016	0.5
185.16507	49.6
186.17055	0.5
191.07040	0.7
192.04221	0.5
199.04207	0.7
199.18040	5.0
207.06538	7.6
213.07886	1.6
213.15997	32.6
219.01721	0.5
222.08403	1.1
223.09633	6.8
227.17496	2.6
231.17088	3.4
231.25282	0.4
245.18643	3.9
253.12946	0.5
255.06931	0.6
271.17593	0.6
344.15335	3.4
344.18884	0.7
344.25385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12672	0.2
59.20908	0.1
63.02362	0.3
65.03959	0.3
70.68393	0.3
77.22971	0.1
78.04710	0.2
89.03922	5.3
91.05488	6.0
95.04984	0.8
103.05487	0.2
106.04173	0.5
117.03387	20.8
118.52516	0.2
119.04952	4.1
129.04445	0.2
134.03673	1.2
135.04501	0.7
136.05240	0.7
145.02855	52.2
146.03146	0.4
147.04462	0.3
149.04790	0.3
149.05989	6.6
151.07555	6.7
153.95201	0.1
158.06033	0.3
162.03146	0.2
163.03920	0.5
177.05479	100.0
178.05826	1.1
186.05470	0.8
227.96449	0.1
269.44614	0.1
273.05270	0.2
304.37323	0.2
344.14948	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1493
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
50.01591	0.2
51.90435	0.1
63.02095	0.1
63.02386	0.4
65.03939	0.3
69.82809	0.5
78.04728	0.2
79.09578	0.1
89.03918	5.2
91.05483	6.8
93.07041	0.2
95.04972	1.2
103.05457	0.2
103.39310	0.1
106.04182	0.4
117.03384	19.7
119.04947	4.5
134.03633	1.2
135.04376	0.7
136.05220	0.7
137.05972	0.2
145.02849	52.2
146.03174	0.6
147.04430	0.1
147.12149	0.1
149.05983	6.2
151.07545	7.4
158.06027	0.1
162.03151	0.3
163.03923	0.5
172.91818	0.1
177.05472	100.0
178.05833	1.1
184.99385	0.1
186.05492	0.8
194.08293	0.2
242.44489	0.1
311.13208	0.1
344.08655	0.2
344.14923	3.4
344.18137	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	344.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05499	1.8
56.05040	6.1
61.01149	5.0
68.05054	0.6
69.03434	0.8
69.07057	2.7
70.06595	65.5
71.06927	1.6
71.08631	2.3
71.51326	1.0
71.53277	0.5
72.08157	10.4
73.02921	1.7
74.06076	1.7
82.06567	0.7
84.04517	4.3
84.08147	17.4
85.02910	0.8
85.04040	0.7
85.08450	1.0
86.09708	46.0
86.47909	0.5
87.05618	1.0
87.10064	1.0
88.02225	0.7
88.03997	6.0
91.05482	1.4
96.04505	0.8
96.08157	1.8
98.02425	1.9
98.09726	0.7
98.97581	0.9
100.03976	1.6
101.07144	0.8
102.05542	1.3
104.05321	7.1
107.05017	1.0
110.07168	2.2
112.08703	1.0
112.11259	0.7
113.10778	1.6
115.05087	0.8
116.07097	100.0
117.03396	1.1
119.04947	1.2
120.08089	1.5
121.06543	0.8
122.06023	1.2
124.03980	0.7
124.11259	1.4
129.10249	22.2
130.05055	0.8
130.08650	0.7
130.10596	1.2
132.10156	0.9
135.04417	0.9
136.07603	1.7
137.05966	3.1
138.09161	2.4
141.10234	6.7
142.08669	1.1
143.11844	1.1
145.02858	2.5
147.04416	1.9
149.05965	1.4
150.05559	0.9
151.03918	13.6
151.04990	0.8
151.07578	1.6
152.04256	14.1
152.05420	1.6
155.11774	1.8
156.10216	5.5
158.11406	0.5
161.05995	0.9
163.03937	2.6
166.08702	0.7
167.07065	0.6
169.09755	0.6
171.11339	2.4
172.11568	9.9
173.84103	0.6
177.05511	5.7
181.04913	0.8
183.11340	2.8
184.09682	1.8
186.12399	1.1
199.10843	1.6
201.12338	36.2
213.12318	1.1
214.11877	1.0
217.13710	11.8
218.14079	2.0
221.63673	3.3
222.13861	0.6
229.11845	7.8
230.14992	2.4
244.16589	1.6
245.13188	1.3
327.20251	3.4
344.15057	1.2
344.18805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01876	7.9
55.05505	19.2
56.96564	8.2
57.03426	5.7
57.07077	5.2
59.05013	5.2
60.04520	9.5
62.94489	3.9
67.05518	24.1
69.03427	8.3
69.07064	8.6
71.04989	15.8
71.51915	6.3
79.05495	24.1
79.44353	3.8
81.07063	32.5
91.05504	28.0
93.07045	58.8
95.04966	45.2
95.08608	71.8
97.06541	13.8
97.10128	5.1
103.05474	9.1
105.07041	70.8
107.08606	47.6
109.06509	15.4
109.10152	12.4
117.07027	25.2
119.08607	20.9
120.27062	4.2
121.06509	10.0
121.10135	18.7
123.08093	22.8
130.07799	9.7
131.08572	9.7
133.10156	15.2
135.08087	21.0
135.11691	17.4
137.06099	4.8
137.09644	6.7
143.08571	10.2
145.02814	4.8
145.10132	73.9
147.08025	13.1
147.11754	7.9
149.09642	4.7
151.07568	33.6
153.94264	4.1
157.10126	10.3
159.11710	9.6
161.09717	6.8
161.13185	5.2
163.11186	52.6
165.09081	10.1
171.11697	8.6
173.13293	5.1
185.07967	4.1
185.13222	4.7
187.11288	6.2
191.14304	6.5
203.14284	5.2
221.15370	26.6
256.25671	5.4
297.06552	5.9
311.04562	7.0
325.21793	9.5
343.08249	22.4
343.19144	4.6
343.22659	100.0
343.30350	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	344.1492
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
63.02361	0.4
65.03916	0.4
69.79906	1.3
72.08163	1.6
86.09702	2.2
89.03926	5.8
91.05489	6.5
95.04971	1.1
95.51550	0.4
113.56025	0.3
117.03387	22.3
119.04945	4.8
134.03656	1.3
135.04442	0.8
136.05159	0.9
137.30769	0.4
145.02855	50.5
146.03206	0.8
149.05988	6.3
149.55418	0.4
151.07550	6.8
164.89363	0.5
177.05479	100.0
178.05823	0.7
185.16563	1.6
186.05472	1.0
198.83667	0.3
202.01186	0.4
213.16032	0.6
344.14944	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29816	3.5
55.01868	4.2
55.05509	9.4
57.03456	4.4
57.07064	4.5
59.04991	3.9
60.58319	3.2
65.69435	3.9
66.36249	3.5
67.05514	23.4
69.03448	4.3
69.07064	4.4
71.05013	9.3
79.05491	11.5
81.03420	5.1
81.07061	30.9
83.04980	4.0
83.08629	5.4
86.09669	3.5
89.87889	3.4
91.05473	23.4
93.07042	42.1
95.04977	25.6
95.08615	44.9
97.06529	12.0
105.07033	41.6
107.08598	29.7
109.06528	11.2
109.10133	12.5
117.07035	14.4
119.08585	21.4
121.06487	9.3
121.10177	21.1
123.08064	11.6
128.06242	3.9
130.07784	9.5
131.08582	9.4
133.06522	6.4
133.10127	13.7
135.08051	11.8
135.11690	11.3
137.09544	5.4
143.08554	5.6
145.02847	4.4
145.10136	36.9
147.08072	5.4
147.11732	4.9
148.05196	7.8
149.09583	7.9
151.07545	20.4
155.08516	3.7
157.10118	5.5
159.11687	9.6
161.09630	3.9
163.11250	26.0
165.09099	5.1
171.11702	4.5
177.05565	6.7
180.00540	17.4
189.12729	5.2
189.16487	9.4
198.01602	16.6
203.14278	4.0
221.15320	17.9
240.23160	6.3
281.04480	12.0
309.04022	4.1
310.04749	24.9
328.05682	6.9
343.04309	7.7
343.08176	100.0
343.22650	57.9
343.26410	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01859	1.7
55.05503	1.4
57.03431	2.9
57.07063	0.6
60.73320	0.6
61.02921	4.1
67.05492	1.3
69.03430	11.5
69.07062	1.9
70.06600	3.0
70.37474	0.7
70.68007	0.6
70.68345	1.2
71.01333	0.7
71.04984	2.3
72.08170	1.1
72.94627	0.6
73.02909	1.6
76.76337	0.5
79.05502	3.5
81.03430	3.5
81.07055	7.8
83.04991	5.2
84.08155	1.2
85.02909	26.8
86.09715	3.1
87.04459	1.5
87.10036	1.1
89.03908	1.2
90.04283	0.7
91.03957	1.4
91.05476	4.1
93.07050	9.7
95.04972	18.0
95.08591	1.2
97.02905	8.6
97.06511	3.0
99.04440	1.7
105.07038	7.8
107.04980	1.1
107.08607	9.7
109.02892	3.5
109.06523	1.7
109.10168	0.7
113.14361	0.6
116.07066	2.1
117.03409	4.5
117.07028	2.3
118.03725	2.2
119.08586	4.5
121.06506	3.8
121.10159	11.0
123.08047	1.3
125.06001	10.2
127.03928	6.1
129.10216	1.1
130.07805	3.1
133.06482	1.0
133.10092	1.3
135.08067	0.8
135.11714	7.6
137.05946	1.1
143.08545	1.2
145.02869	10.1
145.04941	6.5
145.10130	17.3
146.03188	8.6
147.08055	1.3
149.05997	2.0
150.06407	1.2
161.09642	1.7
163.11188	100.0
164.11490	0.8
165.09125	1.3
167.06989	1.2
175.07495	1.4
175.11180	1.1
176.07924	1.7
177.05486	16.7
178.05823	14.9
181.12238	14.9
183.10152	0.8
205.12204	1.3
218.08043	0.8
219.08537	1.6
223.13301	1.8
224.86479	0.7
307.15479	1.7
343.13705	11.6
343.17453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0813
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
51.70464	0.2
55.01854	0.2
55.05498	0.3
56.96534	0.2
59.51722	0.3
66.01062	0.4
67.05488	0.7
68.99782	0.7
72.08153	0.2
79.05488	0.5
81.07040	0.5
86.09720	0.3
91.05484	0.4
93.07021	0.3
95.08598	0.3
97.10156	0.3
97.80315	0.3
103.05430	0.3
105.06996	0.5
107.08584	0.6
109.10126	0.9
118.04155	0.4
119.04902	0.3
119.08585	0.5
121.10141	0.6
122.00058	0.3
123.04448	0.3
124.01558	0.5
124.56668	0.2
131.04930	0.8
133.02841	0.3
133.10121	0.3
135.08014	0.2
137.02299	0.5
137.05966	0.4
145.02908	0.3
147.04413	0.3
148.05186	8.1
149.05974	0.6
149.14230	0.3
151.03899	1.1
152.01051	0.6
165.01807	0.3
177.01817	0.5
180.00539	21.0
181.01324	3.7
189.16379	0.8
191.03377	1.0
191.06937	0.3
196.05174	0.4
197.06018	0.5
198.01604	14.2
200.80620	0.3
206.02135	0.9
207.02881	0.8
209.05980	0.3
213.05504	0.3
224.04666	0.6
225.05486	0.7
226.06371	0.7
235.17191	0.3
241.04848	0.3
242.05739	0.3
252.04156	0.6
253.04977	0.9
253.07362	0.3
254.05774	1.6
257.04468	0.6
280.03650	0.4
281.04446	7.8
282.05228	4.8
283.05838	0.3
285.03870	0.9
285.07181	0.3
286.05002	0.4
287.09216	0.4
296.03162	0.6
297.03809	0.6
297.25903	0.4
299.05475	2.1
309.03922	3.2
310.04712	24.3
311.05435	2.5
313.03427	1.3
313.06705	0.4
315.05322	0.3
325.03488	0.3
325.07043	0.5
327.04977	3.8
328.05792	8.0
328.09253	0.3
343.08124	100.0
343.26321	0.7
344.08493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
53.36949	0.7
55.01893	2.9
55.05536	0.6
56.05048	1.3
56.96579	0.8
57.03432	1.1
60.04549	0.8
65.03947	0.9
69.03447	2.3
69.51244	3.9
70.06597	18.4
72.08145	3.4
73.02937	1.1
74.06130	0.6
77.03912	0.6
79.05497	7.2
81.03423	2.5
81.38086	0.6
83.06149	2.1
84.04538	2.1
84.08141	6.1
85.02923	2.6
86.09711	7.1
91.05496	1.4
93.04526	0.7
94.04186	1.8
95.04953	0.8
95.06092	1.0
97.02927	1.4
98.06041	0.9
98.97623	1.9
101.07147	1.0
103.05461	4.4
105.07033	57.9
109.06522	1.5
110.07172	7.0
115.03981	0.6
115.05485	0.9
116.07107	7.1
117.09094	0.9
119.05038	0.7
121.02847	1.1
122.03651	4.9
124.05193	1.5
125.02306	0.8
127.08688	0.8
129.10268	3.3
131.04913	1.7
133.04893	3.0
133.06494	100.0
136.06206	1.3
137.05980	85.7
138.06534	1.1
138.09100	0.7
141.10289	0.9
150.06790	0.8
151.03937	5.1
151.07552	1.9
155.08171	0.8
162.76138	0.6
163.03888	1.4
165.09120	50.6
166.06128	2.8
173.09225	1.2
177.05440	0.7
181.04921	2.0
183.11324	2.0
194.05672	0.9
196.06010	1.1
200.13998	1.4
201.12325	0.9
212.06503	0.7
215.13927	4.0
228.13367	1.6
230.11304	1.4
311.10080	0.6
325.15305	3.4
325.18573	1.2
343.13159	1.5
343.19992	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0815
Annotation	(+)-Megacerotonic acid
Peak:m/z	Relative Intensity
59.22773	0.4
70.12670	0.8
70.13075	1.2
74.71961	0.4
74.88419	0.4
78.02610	0.4
105.03376	1.2
110.77574	0.4
138.67978	0.4
165.07034	0.9
168.05740	1.2
183.08076	5.9
189.08559	0.5
190.02626	1.4
195.08046	0.7
196.05121	1.3
208.03653	1.5
211.07552	4.4
224.04617	2.1
239.06998	8.7
252.04198	2.0
263.03220	0.4
264.04126	0.6
267.03397	0.9
267.06500	6.2
272.49377	0.5
280.03662	3.5
282.05237	2.9
285.07584	0.6
295.02542	1.9
295.05991	28.7
310.04727	8.9
325.07056	100.0
326.07434	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0813
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
53.00298	0.3
55.01873	0.4
57.26247	0.2
60.60599	0.2
65.81602	0.2
66.01064	0.3
67.05500	0.3
68.99781	1.1
69.42035	1.0
69.42446	0.6
76.04269	0.3
79.05484	0.3
81.07049	0.4
91.05479	0.3
95.08603	0.5
103.05489	0.4
107.08619	0.3
109.10170	1.3
118.04162	0.5
119.08601	0.4
121.10121	0.6
122.00005	0.6
123.00795	0.3
124.01557	0.7
131.04878	0.6
133.02882	0.7
137.02350	0.5
137.05989	0.4
147.04372	0.3
147.11674	0.2
148.05196	7.9
149.05966	0.5
149.13223	0.3
149.99542	0.3
151.03938	1.3
152.01054	0.4
158.03639	0.2
167.03473	0.4
177.01820	0.4
180.00542	21.9
181.01340	4.6
189.16397	1.0
191.03386	1.0
193.01299	0.3
196.05179	0.4
197.05998	0.6
198.01620	12.0
201.89716	0.2
206.02098	0.9
207.02907	0.8
215.15430	0.2
224.04710	0.7
225.05457	1.1
226.06229	0.5
235.16876	0.3
241.05023	0.7
242.05629	0.3
252.04216	0.5
253.04994	1.0
254.05789	1.3
255.06541	0.4
257.04382	0.8
260.08356	0.3
267.06702	0.2
268.03638	0.4
269.04623	0.4
270.04947	0.4
271.05920	0.4
280.03680	0.3
281.04474	8.7
282.05219	4.7
283.05890	0.8
285.03934	0.9
285.07669	0.9
287.09091	0.5
296.03104	0.8
297.03940	0.8
297.25815	0.5
299.05573	1.8
300.06256	0.5
309.03967	3.2
310.04736	22.7
311.05527	1.8
312.06256	0.7
313.03384	1.3
327.05069	3.2
328.05786	8.2
343.08142	100.0
344.08524	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0811
Annotation	4,2'-Epoxy-4'-hydroxy-5,7,5'-trimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
53.10371	0.2
55.01863	0.9
66.62534	0.2
67.05499	0.3
68.99793	0.3
69.30944	2.1
70.06566	0.5
79.05502	0.4
80.06270	0.3
81.03411	0.3
86.09714	0.6
89.03942	0.6
90.04722	0.4
91.05466	0.4
95.04963	0.2
95.08589	0.5
98.21622	0.3
107.04989	0.5
115.05280	0.2
117.03384	1.6
118.04161	0.6
121.02841	0.3
122.03642	0.3
133.02876	0.3
134.03639	1.0
135.04408	0.5
137.02376	0.3
138.03081	0.3
139.03896	0.5
141.01814	0.4
142.15944	0.3
145.02843	2.4
146.03239	0.3
147.04407	0.5
149.02306	1.2
149.06020	0.5
150.03096	0.7
151.03828	0.5
151.07448	0.3
152.96693	0.3
153.01822	0.7
162.03171	0.6
163.03908	71.2
164.04707	1.9
165.01846	7.1
166.02588	0.5
167.03433	1.5
169.06688	0.3
175.03864	0.4
177.05464	3.7
178.05840	0.6
179.03419	0.8
180.04181	0.8
183.02881	2.1
185.05936	0.3
186.03107	0.6
191.03391	0.3
197.06049	0.4
198.06914	0.3
201.05444	0.7
201.70428	0.2
204.04175	0.8
213.05482	0.4
215.03485	0.4
215.07104	0.5
217.04861	0.3
226.06256	1.7
227.07043	0.3
229.04984	2.4
240.04189	0.7
240.53220	0.3
241.04855	0.4
243.02928	0.7
243.06499	1.4
244.07333	0.4
253.05000	0.8
254.05809	2.9
255.06700	0.4
257.04550	2.2
258.05078	0.3
265.04974	0.4
271.05899	0.5
272.06711	0.5
273.03973	1.0
281.04395	0.7
282.05243	8.3
283.06049	1.1
285.03995	2.1
293.43048	0.3
297.03873	1.0
298.04807	0.7
299.05573	3.8
300.06314	3.2
309.03821	0.5
310.04721	8.7
311.05496	1.0
311.12036	0.5
313.03391	2.7
315.04742	0.3
327.05118	1.9
328.05792	6.7
343.08133	100.0
344.08542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0811
Annotation	Dihydromethylsterigmatocystin
Peak:m/z	Relative Intensity
50.01596	0.2
51.97860	0.2
53.03962	0.3
55.01633	0.3
55.01871	4.6
55.05495	0.2
55.06754	0.2
55.59563	0.2
59.04984	0.5
65.03930	0.4
65.09484	0.2
67.05494	0.8
68.99783	2.0
69.03413	0.6
69.07053	0.4
70.06588	0.4
71.51847	0.2
79.01840	0.8
79.05476	0.3
81.03419	1.5
81.07040	0.8
86.09674	0.4
89.03926	0.4
90.04691	0.9
91.05476	1.1
92.99760	0.6
93.07019	0.6
95.04984	0.2
95.08613	0.8
97.02873	0.6
99.00803	1.1
105.07017	0.4
107.04948	0.4
107.08591	0.8
109.02874	0.6
109.10165	1.5
110.03613	0.2
113.41033	0.2
117.03417	0.4
118.04133	0.2
119.04959	0.6
119.08577	0.7
121.02894	0.3
121.10150	0.8
123.00777	0.8
125.02351	0.2
129.06976	0.2
133.02753	0.3
133.10167	0.4
134.03650	0.6
135.11613	0.3
136.05159	0.3
137.02338	1.9
137.05949	0.4
138.03142	0.4
141.01826	7.6
141.02910	0.5
141.06969	0.4
145.02835	1.0
145.10164	0.2
146.03494	0.4
147.04434	0.2
148.05191	0.3
149.02327	0.6
151.03932	0.3
151.07544	1.8
153.01823	0.9
155.05013	0.2
161.02373	0.3
162.03133	1.9
163.03896	0.7
164.04640	1.6
165.01836	39.9
166.02435	0.3
167.03419	0.5
169.06511	0.4
170.07233	0.5
173.13365	0.3
177.05513	0.8
178.05800	0.4
179.07005	1.0
181.06459	0.5
183.02890	18.7
184.03639	0.3
184.05182	0.5
186.03122	1.7
189.16408	1.1
197.05981	0.9
198.06754	0.9
201.16382	0.5
204.04172	3.1
212.04707	0.7
213.05544	0.3
215.03392	0.8
225.05386	1.3
226.06238	3.4
228.04189	0.2
229.04857	1.2
232.03680	0.3
235.16905	0.3
240.04161	2.9
241.04926	0.4
243.02870	0.3
243.06554	0.8
243.58134	0.4
253.04988	1.8
254.05730	6.5
255.06500	0.6
257.04425	1.2
265.04898	0.4
268.03696	2.9
269.04419	0.3
281.04453	2.8
282.05222	26.5
283.05789	0.7
285.03900	1.6
295.02426	0.3
296.03214	0.3
297.03839	0.2
297.25720	0.6
298.04752	0.3
299.05481	1.5
300.06363	0.4
309.03888	3.2
310.04697	7.3
311.05457	0.8
313.03571	1.0
315.05127	1.0
325.03061	0.2
325.07059	14.2
327.05014	2.5
328.05753	5.7
343.08112	100.0
343.26309	0.8
344.08472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06512	0.5
52.46333	0.5
55.05511	1.0
57.06879	0.4
57.07085	5.0
67.05494	1.5
69.03439	2.5
69.07062	1.5
71.08625	4.3
71.52765	0.7
81.07059	2.1
83.08610	1.0
85.10177	1.2
86.06069	100.0
87.04472	12.4
89.03925	0.6
93.99507	0.5
95.08604	2.4
95.56051	0.5
98.49126	0.5
104.07108	20.5
109.10178	1.4
110.79798	0.5
117.03371	2.7
145.02838	5.1
149.05994	0.8
153.16179	0.5
177.05481	8.7
178.05812	0.6
186.05585	0.7
190.19287	0.5
194.92256	0.6
218.08153	0.7
239.23715	0.8
247.26622	0.5
283.26373	3.7
301.20294	1.7
333.76804	0.5
342.30234	5.4
342.33716	1.1
342.36810	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.4
57.07078	18.4
58.06589	0.5
59.10051	0.3
60.04528	0.7
60.08157	1.2
62.06092	2.3
67.05510	3.0
69.07073	3.6
71.08636	10.5
71.53028	0.6
72.08150	1.2
73.02929	2.1
79.05479	0.7
81.07063	3.2
83.08615	2.8
85.10191	4.0
86.09709	0.6
87.04459	0.5
93.07072	0.5
95.08075	0.4
95.08611	4.4
97.10179	1.6
98.97619	0.6
106.05054	1.9
109.10146	1.3
121.10082	0.4
123.11624	0.5
123.16940	0.4
149.06017	0.5
156.17479	0.6
174.18509	3.1
177.05470	0.4
198.35411	0.3
212.23747	0.8
230.24809	3.0
283.26321	100.0
284.26666	1.1
324.36377	0.8
342.33609	47.3
342.37341	76.7
343.34082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50487	0.7
76.34559	0.5
97.32529	0.4
98.97574	1.8
116.98604	1.5
119.01913	0.7
158.99843	0.9
177.00940	4.3
178.00983	0.5
180.96881	0.7
182.99985	0.8
198.97940	0.8
201.00864	0.8
216.98941	4.8
218.98552	0.9
219.02026	9.9
220.02104	2.4
221.01811	0.8
222.97920	1.0
225.01083	0.6
233.03574	0.6
235.00006	7.1
240.98956	11.7
241.99025	1.2
243.01987	1.1
253.01181	0.8
258.99997	34.4
260.00058	2.6
261.00287	0.7
261.03088	10.6
262.03116	1.0
264.98721	3.7
273.98691	1.3
276.97934	0.9
277.01053	15.4
278.01154	1.0
279.00623	0.7
282.99997	97.1
284.00159	7.0
285.00137	0.6
291.99701	0.9
301.01059	100.0
302.01151	7.8
308.00452	0.7
318.98605	1.8
319.02148	4.1
319.97763	1.5
324.02722	2.5
325.01031	16.4
326.01477	1.1
343.02124	71.5
344.02301	2.3
360.99615	1.1
361.03235	13.1
362.03467	0.6
366.03824	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.9
55.05515	49.4
56.46815	4.6
56.96552	7.6
57.07070	5.3
60.04518	15.0
65.03943	4.1
67.05508	30.4
69.03433	6.3
69.07069	41.7
70.69144	11.2
71.05001	4.1
73.60842	3.7
79.05497	34.1
81.07062	31.6
83.08615	30.5
86.09697	12.3
88.07636	9.1
91.05498	22.0
93.07058	24.0
95.04928	5.2
95.08614	22.4
97.06536	9.3
97.10173	80.7
98.97571	14.2
105.07063	22.0
107.08607	94.9
109.10150	10.6
111.08073	6.1
116.98600	5.9
117.07056	7.1
119.08575	19.6
119.09383	4.2
121.10162	8.5
123.08053	5.0
125.09647	80.3
131.08623	7.5
133.10121	15.3
135.08064	19.2
145.02782	5.6
145.10100	13.4
147.11670	11.9
149.09610	9.5
153.09105	15.3
157.12183	8.5
159.11687	7.0
161.13257	6.9
163.11136	6.0
177.05449	12.8
203.12796	100.0
203.14580	9.1
219.17580	4.6
239.17970	8.4
257.18979	19.0
275.20050	68.6
289.21533	26.7
307.22736	24.2
326.56134	4.3
342.30017	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22632	1.1
50.76671	1.0
55.05500	1.1
65.03963	1.2
67.05516	9.7
69.07073	9.5
69.57292	8.3
71.04993	20.4
75.39373	1.1
79.05494	11.1
79.40434	1.2
81.07056	15.2
83.04988	2.1
85.06554	1.4
86.09711	100.0
87.04485	2.9
89.03927	5.7
91.05489	31.0
93.07059	7.0
95.04962	2.4
95.08616	3.1
105.07043	27.8
107.04963	2.3
107.08600	9.6
109.06541	2.2
115.05453	1.6
117.03387	19.5
117.07024	3.0
118.94889	1.2
119.08588	13.0
121.06531	1.6
121.10155	5.4
125.05988	1.2
128.10724	1.7
129.07018	4.9
131.08589	7.0
131.61568	1.3
132.10211	47.7
132.11195	2.8
133.06505	9.6
133.10141	21.9
134.03586	2.4
135.11743	2.0
137.05974	3.8
143.04967	1.8
145.02853	43.2
145.10103	3.8
147.08067	16.5
147.11700	17.5
149.05975	6.5
149.09615	6.8
149.13258	2.6
151.11198	3.9
157.10139	4.2
160.05135	1.6
175.07608	5.9
175.11192	26.0
177.05479	75.2
192.13972	1.3
193.12270	32.7
200.94771	1.3
208.16927	2.1
218.08168	5.8
248.20105	2.2
254.17484	13.0
260.20157	6.2
278.21152	14.0
294.20651	5.0
306.20615	12.3
324.21716	32.5
342.13461	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01635	3.0
55.01876	36.6
55.05514	36.9
57.03425	6.6
57.07077	28.4
62.06082	3.8
65.20040	2.7
67.05509	70.8
69.03423	4.1
69.07080	20.4
70.33843	2.7
71.03309	3.5
71.03634	4.1
71.04984	6.2
71.08614	12.1
73.61664	4.1
79.05502	28.8
81.03407	8.4
81.07062	54.6
83.04986	17.0
83.08624	19.4
85.06531	5.6
91.05483	36.7
93.07055	29.9
95.04966	12.1
95.08613	39.9
97.06528	4.8
97.10151	8.9
98.20984	3.0
105.07034	36.5
107.04963	12.4
107.08595	40.5
109.06482	9.8
109.10162	51.0
111.08060	6.9
117.06967	5.4
119.08593	15.6
120.89914	3.0
121.06439	3.0
121.10152	16.9
123.08051	10.2
123.11710	16.1
125.09644	44.8
131.08551	11.2
133.10141	78.6
135.08055	3.6
135.11693	8.1
137.09599	15.2
145.10153	8.1
147.04210	2.6
147.11655	7.8
149.09622	10.1
149.13217	3.3
151.11192	82.8
157.10066	2.8
159.11708	8.0
163.11201	10.5
165.09097	7.1
173.13263	3.4
174.18524	3.7
177.05473	5.5
177.12708	4.9
179.10686	11.2
183.11525	3.6
183.13789	25.4
191.14336	4.1
193.12212	3.1
207.74203	2.9
223.13232	3.8
229.14365	4.8
229.19379	3.3
230.24738	3.7
239.18018	4.2
257.18994	12.4
275.20053	49.5
283.26303	47.1
286.31100	4.9
293.21243	20.0
307.22726	30.7
324.32016	3.7
342.26819	7.6
342.30563	4.0
342.33603	24.3
342.37289	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12851	0.8
55.01879	1.0
55.05503	2.1
67.05181	0.9
67.05509	10.5
69.07078	7.8
70.28313	2.5
70.28687	1.0
71.04996	16.8
74.02438	1.2
79.05492	15.7
81.07058	14.6
83.04977	3.3
84.08200	0.8
85.06551	1.9
86.09710	100.0
87.04450	2.8
89.03907	1.2
91.05486	33.2
91.57594	0.8
93.07047	10.3
95.04951	1.3
95.08607	3.9
103.05458	1.3
105.07037	33.9
107.04952	2.7
107.08601	10.2
107.18353	0.8
107.30479	0.8
109.06519	2.1
115.05466	1.2
117.03398	2.4
117.07034	2.0
119.08592	17.8
121.06509	1.9
121.10155	5.0
123.08056	2.7
125.05984	2.3
128.10744	1.2
129.07005	4.6
131.08553	9.4
132.10211	49.5
133.06511	9.7
133.10139	23.0
135.08194	0.9
135.11688	1.7
137.05943	2.6
142.07799	1.2
145.02856	5.9
145.10136	3.8
147.08060	17.4
147.11702	21.6
149.09631	9.1
149.13249	2.9
151.07523	1.3
151.11229	5.4
157.10095	3.6
163.11253	1.6
165.12758	2.0
175.11200	29.4
177.05463	8.2
192.13803	2.3
193.12253	40.9
208.16977	2.0
248.20035	2.0
250.09338	0.9
254.17500	13.1
260.20102	7.1
261.48294	0.9
278.21155	14.7
294.20621	6.4
306.20648	12.3
310.11697	1.9
324.21704	43.3
325.22067	0.9
342.09872	0.9
342.13742	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	342.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61468	0.2
58.68856	0.2
63.02379	0.5
69.07056	0.3
69.99458	1.2
70.06596	0.4
72.57436	0.2
81.07095	0.3
85.02906	1.2
86.09705	0.3
89.03915	5.8
91.05472	0.9
93.07028	0.4
95.08625	0.3
98.20853	0.4
103.05454	0.3
106.04219	0.3
107.08600	0.3
115.05470	1.2
117.03382	23.0
119.05003	0.3
121.06486	0.5
125.56161	0.3
134.03670	1.3
135.04414	1.0
137.06023	0.9
143.04927	1.0
144.05632	0.4
145.02846	56.5
146.03194	0.4
147.04390	0.2
149.04781	0.5
149.05974	8.3
151.03911	1.2
151.07512	0.5
158.05995	0.5
160.05211	1.6
161.05952	0.3
163.03915	2.6
170.84328	0.3
175.03886	0.6
175.07562	5.4
176.05051	0.3
177.05467	100.0
178.05798	0.8
186.05479	1.7
190.55438	0.3
192.06604	0.5
218.08130	7.8
240.78159	0.3
281.04443	0.5
282.05038	0.4
310.11252	0.3
313.03268	0.3
313.93015	0.2
325.10712	0.9
342.13388	5.9
343.04343	0.3
343.08124	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01873	4.0
55.05270	0.8
55.05515	8.4
56.05014	0.8
56.96561	0.9
57.03420	0.9
57.07078	13.1
59.04985	0.9
61.02920	2.2
69.03429	5.7
69.07061	0.8
69.37852	4.2
70.06596	38.6
71.04987	1.3
72.08160	6.6
73.02911	0.8
79.05489	1.4
80.05852	0.7
81.03432	2.3
81.07035	1.0
83.08629	3.6
84.04501	2.4
84.08144	3.1
85.02905	15.9
86.09705	16.3
87.04461	1.7
89.03922	1.1
89.06037	32.9
91.03955	0.8
91.05477	2.6
92.05795	0.9
93.07062	1.5
94.07362	1.1
94.79473	0.6
95.04920	0.7
95.08546	0.8
97.02905	6.1
98.20828	1.2
98.97603	1.4
99.04449	1.5
101.09658	14.5
103.05509	0.9
105.07051	0.8
107.04977	1.9
107.07072	35.6
107.08574	1.2
108.05278	0.7
109.02904	1.7
110.07167	2.0
111.04418	1.8
116.07117	0.8
117.03391	5.0
117.04107	1.0
119.04946	4.0
120.08115	1.2
121.05788	0.6
121.06505	3.5
122.06855	3.4
123.08071	0.9
126.03755	2.3
127.03924	2.2
129.05472	0.7
129.10228	1.8
130.08647	5.3
132.10202	4.2
133.02849	2.4
137.06010	3.3
145.02852	13.7
145.04967	2.7
145.12285	1.0
147.04411	4.7
149.05978	3.5
150.06305	1.4
151.07536	2.1
155.11789	0.7
163.03920	1.0
163.13301	100.0
164.13646	0.6
168.07382	1.1
172.04271	2.7
175.06055	0.9
175.07553	1.2
177.05481	20.9
179.07050	6.8
183.11331	2.0
183.14909	6.5
185.16609	0.9
187.33540	0.6
192.06563	1.3
209.05714	0.6
211.04364	0.7
211.14380	5.2
218.08157	2.2
229.15472	7.3
245.18634	1.0
280.13446	0.8
337.68927	0.6
342.13657	8.1
342.23846	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1495
Annotation	N2,N5-Dibenzoyl-L-ornithine
Peak:m/z	Relative Intensity
51.02384	0.4
53.03941	2.3
55.01874	0.3
55.05513	0.3
56.48840	0.2
56.96565	0.3
59.78619	0.2
69.15800	1.1
69.16230	1.1
70.06605	2.0
71.04993	0.3
73.02313	0.2
77.03927	1.3
79.05515	0.5
81.03405	0.3
81.07053	0.3
85.02907	0.2
89.03926	0.3
91.05457	0.5
93.07049	0.4
95.04978	3.1
95.08614	0.3
98.06038	0.5
98.20791	0.5
103.05479	0.3
104.05000	1.1
105.03394	100.0
105.07030	0.8
106.03694	0.3
107.04962	0.8
107.08611	0.2
116.07142	0.3
117.03372	1.3
119.04945	0.2
121.06546	0.5
122.03645	0.3
128.06259	0.4
129.07022	1.1
131.04935	0.4
131.08566	0.3
137.05966	1.8
144.05716	0.3
145.02844	3.0
147.04358	0.2
149.05986	0.8
151.03943	0.4
159.04393	0.3
159.08046	0.6
159.11723	0.2
160.05301	0.2
161.05974	0.6
161.09612	0.3
166.08641	0.4
167.07076	1.6
172.05276	0.3
173.10779	1.2
174.09152	38.0
175.07559	0.6
177.05484	5.6
187.03862	0.6
187.07549	2.6
191.11786	1.7
193.10104	0.3
194.44672	0.2
201.10254	5.7
202.07907	0.3
203.08667	0.4
206.07220	0.4
218.08162	0.4
219.07997	0.4
219.11319	1.3
220.09766	1.1
221.09550	0.3
234.06879	0.4
235.07413	0.5
237.09090	0.2
242.85713	0.2
247.07246	0.3
249.09088	0.8
251.07123	0.5
265.08560	0.6
266.09167	0.3
277.08655	0.5
281.11789	1.7
291.10147	0.4
294.08893	0.2
295.09668	0.5
309.11172	2.4
311.09174	0.3
323.13922	3.6
341.06741	0.2
341.09915	0.4
341.14389	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	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.29740	0.9
52.68215	0.9
53.03925	0.9
53.66124	1.0
55.01883	1.3
55.05505	1.0
56.32169	0.9
61.74053	0.9
66.63923	0.9
67.05492	1.8
69.03397	1.3
69.32160	6.1
69.32581	2.1
69.58574	0.9
71.04992	4.9
73.83380	1.0
79.05492	2.9
81.07043	2.7
91.05486	5.0
93.07037	1.7
94.04181	3.3
95.04958	1.9
95.08614	2.2
100.11256	1.4
103.05467	1.7
105.07015	2.5
107.04952	2.6
107.08632	1.4
109.06496	3.1
109.10086	1.5
111.04372	0.9
115.05467	2.1
117.03326	0.9
117.07018	1.8
119.04971	1.1
120.30588	0.9
121.10160	2.2
122.03639	7.0
126.98563	1.1
128.06223	2.0
129.07019	8.5
131.04942	4.2
131.08591	1.6
131.97621	1.1
133.02844	6.2
137.05978	100.0
143.70329	0.9
144.05687	3.3
145.02869	2.4
145.06520	1.4
147.04399	2.4
149.05989	3.1
151.03905	3.5
151.05038	1.3
151.07538	6.2
153.05502	1.4
157.06516	5.1
158.07300	1.3
159.04355	1.1
159.11688	1.3
160.05206	4.2
161.05992	3.0
163.07545	2.3
165.05501	5.3
165.06873	1.4
167.07069	2.1
168.05734	1.8
172.05235	4.7
173.13275	1.3
174.06766	8.1
175.07568	16.7
177.05457	8.4
177.09167	2.3
177.86090	1.0
178.05774	1.7
178.07907	1.5
179.07089	4.1
179.08606	1.5
181.06441	1.4
182.15414	1.4
184.05289	1.7
185.05908	1.4
187.07547	42.2
188.08391	1.4
188.51321	1.1
189.09090	14.0
191.07024	2.3
191.08600	2.5
196.05257	4.5
197.06044	2.7
199.07504	3.9
202.07773	2.9
203.08559	14.5
205.06511	2.5
205.08533	2.2
205.10323	1.4
208.08829	1.2
210.14928	1.5
211.07539	20.9
212.04846	2.1
212.08284	1.2
213.05502	3.9
217.08644	16.2
218.07285	1.6
219.08095	8.7
220.08841	7.1
221.05962	1.7
221.09732	2.4
222.06786	1.2
224.08337	1.2
225.05524	1.6
226.06287	1.1
227.07028	22.6
227.09114	1.8
228.07767	2.0
230.07198	1.2
231.08075	15.7
232.08842	2.7
233.06075	2.3
233.09720	2.0
234.06735	1.4
236.08397	2.8
237.09140	3.0
239.07077	13.7
240.07809	12.3
241.04977	1.9
241.08623	3.1
243.10126	1.2
247.07565	8.1
248.08316	21.3
249.09045	5.1
250.06244	1.7
251.10616	4.7
253.08669	2.6
255.06554	16.1
256.07288	9.6
259.07587	6.9
260.08398	3.0
261.09125	3.8
262.06317	1.2
262.09888	2.2
263.07611	2.0
263.10681	20.7
264.07852	4.0
265.08667	6.2
268.07379	3.6
269.08148	3.6
270.08878	43.8
271.09650	40.6
276.07858	12.0
277.08527	6.2
279.10165	14.8
280.11111	1.6
281.04553	1.7
281.08105	3.0
281.11801	4.0
281.22604	1.3
283.09631	14.6
290.09503	1.5
291.10159	55.3
292.10770	5.0
293.08151	7.4
293.11258	1.5
295.09882	1.8
296.10382	7.5
297.11246	4.0
305.11847	3.0
307.09488	1.3
308.10474	9.9
309.07681	2.2
309.11276	3.1
309.90237	0.9
311.12729	14.6
313.10748	1.1
313.14276	2.7
315.18887	0.9
323.12784	51.6
341.03079	2.2
341.13885	33.4
341.18091	2.0
341.24680	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0871
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
53.03940	0.5
55.05494	0.4
56.05030	0.6
56.96564	0.8
57.03433	0.3
58.24565	0.2
59.04994	0.4
60.04515	0.9
61.02943	0.6
61.27861	0.2
64.02978	0.3
67.05507	0.4
69.03436	2.3
69.07066	0.6
70.06210	0.4
70.06600	7.4
71.04996	0.5
71.06927	0.3
71.51165	0.3
72.08162	3.9
73.04764	0.3
74.06087	0.4
77.03944	0.4
79.05467	0.7
81.03421	0.8
83.06120	0.6
84.04512	1.7
84.08150	5.8
85.02904	3.1
86.09711	2.7
88.04003	0.4
89.03918	0.6
91.05457	1.8
93.07049	2.2
95.04971	0.6
97.02904	1.9
98.97595	1.0
99.04455	0.5
102.05537	0.7
103.05469	0.8
105.03416	0.3
107.04961	1.1
109.02886	0.7
110.07174	2.8
111.04453	0.4
112.08743	0.3
115.08708	0.6
116.07117	0.6
116.98633	0.4
117.03340	0.6
119.04938	0.7
120.08115	1.5
121.02922	0.3
121.06547	1.1
121.08503	0.3
123.03583	0.5
123.04442	8.3
123.05350	0.5
126.05544	0.3
127.03926	0.6
129.06633	0.2
129.10262	2.8
131.04922	0.7
133.02873	7.4
135.04431	1.8
136.06618	0.4
136.07581	2.2
137.05986	3.1
145.02921	0.3
145.04961	0.4
147.04465	0.7
149.05986	0.7
149.09558	0.3
151.03926	3.4
151.07544	0.4
152.07062	0.4
156.07649	0.7
161.05968	0.4
163.03922	0.9
164.07085	0.3
167.07002	0.3
175.06096	0.5
175.07516	0.4
177.05478	1.3
178.05830	0.4
178.08589	0.4
179.03407	100.0
180.03726	0.3
183.14902	0.3
187.07503	0.9
190.07410	0.4
199.24655	0.3
207.07806	0.3
208.08406	0.4
213.00723	0.4
217.08685	0.5
219.08092	0.2
221.05531	0.3
222.06444	0.3
226.15732	0.3
236.07928	0.9
238.05896	0.3
239.03979	0.4
263.06790	0.6
264.07465	1.5
277.15564	0.4
279.10495	0.5
281.07602	0.8
284.78885	0.2
291.10361	0.4
292.06824	0.4
296.06967	0.3
296.10068	0.9
305.10037	1.2
305.13788	0.2
309.07141	0.4
311.12924	0.5
323.12381	0.8
324.09583	1.0
329.05353	0.3
341.08722	0.9
341.12161	0.6
341.21838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43027	0.6
69.07037	0.6
69.33476	1.7
69.33884	3.3
72.04402	0.6
79.05476	2.2
81.07056	0.8
82.46436	0.6
91.05457	4.3
93.07053	1.0
94.04193	3.5
95.04970	0.7
98.20810	1.5
100.11200	0.6
103.05474	1.5
104.06217	1.0
105.07029	6.4
107.04956	1.0
109.06517	2.6
115.05443	3.5
117.03422	0.7
117.07022	1.6
119.08555	2.7
121.06469	0.7
122.03651	8.8
123.04419	0.7
128.06233	2.2
129.07028	3.1
131.04916	1.7
131.08534	0.6
132.05717	2.3
133.06464	3.4
137.05978	100.0
141.06992	0.8
144.05667	1.1
145.02887	1.9
145.06491	1.7
146.03632	1.7
147.04427	1.7
147.08051	3.2
149.05971	2.1
151.07538	1.1
155.04877	1.8
155.88792	0.6
156.05659	0.7
157.06503	0.8
159.04375	0.6
159.08063	3.1
160.05223	1.5
161.05991	11.7
163.07504	0.9
165.06995	0.9
167.07008	1.2
171.08044	1.3
172.05241	2.2
173.62573	0.6
174.06802	0.7
175.07547	29.0
177.05507	2.4
178.07858	0.6
179.07172	0.9
185.06012	1.4
187.07549	12.1
189.06999	1.5
189.09062	1.0
190.07739	5.5
191.08569	10.6
192.09251	0.6
199.07503	9.6
202.07800	4.2
203.08562	6.0
205.06566	0.8
207.08092	1.7
208.08820	0.8
217.08672	1.1
218.07227	3.1
219.08057	12.6
220.08755	3.2
221.09569	0.7
231.08057	6.3
232.08769	1.2
233.09662	1.2
235.07530	1.3
236.08362	2.0
247.07489	4.8
248.08279	3.4
249.05444	0.8
249.09106	1.8
251.10670	15.9
251.13315	1.0
253.08429	0.8
259.07507	4.4
260.08359	1.0
261.09280	0.8
263.10782	3.6
264.07800	1.2
265.08545	0.9
276.07809	2.0
277.08542	3.0
279.10168	15.1
281.08154	1.1
281.11749	0.9
291.10172	5.9
292.10876	3.1
295.13327	1.4
296.10461	1.0
309.04633	0.7
309.11102	1.2
311.09204	1.3
311.12759	17.0
323.12650	3.6
341.10229	0.8
341.13824	3.3
341.20627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
57.07078	0.8
60.73323	0.4
67.05504	1.0
69.07075	0.6
70.49323	1.4
79.05486	1.0
81.07052	1.5
89.39159	0.5
91.01862	0.5
91.05471	0.7
93.07043	1.0
95.04984	0.7
95.08626	1.2
105.07036	0.7
107.08615	0.8
109.10169	0.6
116.63547	0.5
132.87563	0.5
133.10106	0.9
137.05971	1.3
144.00117	0.5
149.02461	0.6
160.01546	3.0
178.02592	1.6
182.03639	1.1
199.14735	0.5
202.58340	0.6
210.03194	1.2
214.02614	2.6
238.02541	2.7
266.02179	5.9
271.55115	0.5
272.95584	0.5
284.03159	1.0
294.01599	20.6
309.03940	100.0
310.04172	1.1
312.02512	1.0
322.27451	2.1
323.27692	1.4
327.05096	3.0
341.07144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0659
Annotation	7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
55.05499	1.5
56.96561	1.1
62.64191	0.6
67.05510	1.7
69.07060	1.0
70.06593	1.0
71.51515	1.1
78.84835	0.7
79.05491	1.0
81.07044	1.5
93.07052	1.3
95.04967	0.6
95.08623	1.1
105.07036	1.3
107.08607	1.0
119.08549	0.7
121.10157	1.4
123.04487	0.6
131.08604	1.0
137.05968	2.4
145.10141	1.1
148.02580	0.6
149.09697	1.1
151.07579	0.8
161.06007	1.6
167.10692	2.0
190.02612	1.2
192.55194	0.7
208.03700	1.5
255.02980	1.5
267.02853	1.0
268.03784	1.0
270.05310	1.3
283.02386	12.7
285.07565	1.7
291.10318	0.8
296.03143	1.4
298.01498	1.0
298.04642	4.0
309.00366	5.0
311.01996	6.6
311.05347	1.2
313.03458	5.6
313.06747	1.1
324.02686	13.1
324.06320	1.1
326.04211	3.3
339.05020	29.5
341.06589	100.0
342.07028	1.5
357.05515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05514	13.5
57.03429	1.4
57.07078	3.6
60.04528	20.9
66.38564	0.5
67.05506	7.5
68.05821	1.3
69.07072	22.3
69.83417	2.0
69.83830	1.2
70.06573	0.7
70.07394	1.0
71.04977	0.7
71.08627	1.1
79.05487	3.2
81.07061	12.9
82.07386	1.4
83.08624	14.0
84.08939	0.8
91.05482	1.8
93.07059	3.0
94.07368	0.9
95.08611	9.8
96.08930	0.7
96.35479	0.5
97.06549	1.7
97.10165	10.2
98.21082	1.4
99.08089	0.8
100.11250	0.8
105.07025	2.2
107.08582	2.5
109.10168	4.7
110.10492	0.8
111.08080	0.8
111.11710	2.6
111.65514	0.7
114.12812	7.6
119.08583	2.3
121.10118	2.2
123.08067	0.6
123.11694	2.4
133.10139	2.8
135.11649	1.9
137.13286	1.2
147.11668	2.2
149.13258	1.3
156.13834	0.6
161.13245	1.6
163.14821	1.1
165.12659	0.6
175.14833	1.4
182.15399	5.4
184.40840	0.5
200.16475	2.2
245.22618	1.1
263.23657	3.0
280.26373	9.1
298.27423	9.5
322.27368	2.1
340.28494	100.0
341.29370	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42016	2.1
55.05518	17.4
55.65657	2.2
56.05048	2.8
57.03418	3.3
57.07060	9.0
58.02969	12.8
58.06588	4.4
60.04515	3.9
60.08155	2.1
63.25320	2.0
67.05511	24.2
69.07075	29.8
69.41367	11.6
69.41785	5.2
70.06208	2.9
70.06599	59.3
71.08644	2.3
79.05478	8.7
81.07061	31.9
82.06570	9.5
83.08638	12.4
84.04519	18.4
84.08158	3.8
84.62178	2.3
85.58454	2.1
86.09696	2.5
90.78184	2.1
91.05470	3.4
91.76410	2.0
93.07040	11.7
94.06529	2.6
95.08609	37.7
96.08109	3.8
96.08952	2.8
97.06546	3.9
97.10164	6.6
105.07029	4.8
107.08576	6.0
109.10159	11.7
110.89524	2.1
119.08576	4.0
121.10144	5.0
132.94691	1.9
135.11697	7.5
140.14328	4.6
145.10197	2.4
146.89149	2.0
151.14839	3.7
152.14345	4.8
162.12814	6.5
168.17488	99.5
180.13841	16.5
198.14906	100.0
204.63721	2.1
226.18088	3.9
280.26428	3.9
322.27426	3.6
340.28592	91.9
340.35477	5.1
340.39374	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	339.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
56.05016	1.1
61.70650	0.8
61.91386	0.7
63.87625	0.8
65.03927	0.8
67.05505	1.7
69.03430	4.0
69.94765	3.7
70.06584	5.7
72.08140	3.2
74.06059	1.2
79.05481	4.0
79.64301	0.7
80.49381	0.7
81.03431	1.2
81.07055	7.0
81.74899	0.7
83.06102	1.7
84.04489	1.9
84.08140	6.0
86.09708	3.5
88.03985	1.0
89.03917	1.7
91.05486	2.4
93.05769	1.0
93.07059	2.0
94.06544	2.8
96.08115	2.3
97.02891	1.1
101.07121	0.8
107.04962	1.0
108.08118	2.0
109.06526	1.3
110.06038	7.2
110.07156	2.9
112.07597	1.0
117.03368	7.6
120.04414	1.0
120.08091	2.5
122.06031	22.4
123.06808	3.2
124.07594	14.7
127.68947	0.8
129.10214	1.7
134.06015	23.0
136.07579	85.6
137.05931	1.7
137.07901	2.3
140.07053	5.4
145.01784	1.2
145.02843	21.8
145.09775	0.9
146.06035	1.0
147.04411	2.4
149.05951	2.2
150.05487	6.3
152.07065	100.0
158.08058	1.2
160.98796	1.3
164.07068	97.8
166.08646	2.0
168.06554	2.6
170.08128	13.0
172.11185	1.6
177.05472	40.1
182.08131	27.7
186.09079	0.9
200.10770	2.1
214.12279	1.9
232.13400	1.0
242.11707	3.4
243.11433	1.4
260.12823	6.5
285.12350	3.0
303.13382	65.3
304.13666	0.9
321.10205	1.0
321.14410	19.2
339.10889	2.9
339.15460	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41519	3.9
55.01868	6.3
55.05518	26.7
56.50410	3.3
57.03430	10.7
57.07065	11.3
65.03940	3.8
67.05511	56.1
69.03429	6.3
69.07072	27.7
70.07416	3.3
70.59824	3.2
71.08640	4.4
71.53733	4.1
74.20988	3.4
79.05482	17.8
81.07064	61.9
82.07384	4.5
83.04993	45.8
83.08635	8.1
85.06545	6.1
86.06071	74.1
87.04492	7.7
91.05505	37.0
93.07051	30.2
95.04997	5.2
95.08616	18.0
97.06551	5.9
99.04473	3.6
99.08096	4.4
104.07118	13.1
105.07035	40.8
107.08606	37.7
109.06532	7.2
109.08804	2.8
109.10165	62.8
109.21352	3.0
119.08631	7.3
121.10149	7.1
123.08085	4.7
123.11703	24.4
131.08560	7.1
133.10143	100.0
135.08017	4.3
135.11679	5.7
139.03810	4.2
145.10173	3.7
149.09578	5.5
151.11197	95.4
152.81329	3.3
161.09540	4.5
172.95218	4.8
179.10707	13.0
183.13783	35.9
224.98747	3.3
229.14351	5.3
272.29074	3.2
273.18451	6.8
291.19522	11.5
305.21167	9.3
339.77881	8.0
340.28659	39.6
340.35809	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	339.1231
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
55.01858	1.1
56.45348	0.5
56.96552	1.2
57.03423	0.7
58.29779	0.5
61.02921	0.8
62.99805	0.5
65.03931	1.4
67.05491	1.4
69.03094	0.8
69.03432	10.0
69.07057	1.0
70.06565	1.3
70.63289	1.5
71.04947	0.7
73.85517	0.5
79.05470	0.7
81.07038	1.9
83.08556	0.6
84.04482	0.5
84.08118	0.9
85.02890	2.2
86.09690	1.4
89.03921	4.7
91.05476	3.1
92.36051	0.5
93.07034	1.5
95.04967	1.1
95.08595	1.0
97.02861	1.0
97.06445	0.6
98.97566	1.2
103.05480	0.7
105.03370	1.1
105.07002	1.1
107.04942	2.5
107.08611	1.2
109.02875	0.9
109.10208	0.9
110.03661	1.2
111.04477	1.0
113.39829	0.5
115.05473	0.9
116.98649	0.5
117.03388	16.8
119.04983	2.7
119.05733	0.5
119.08574	0.9
120.08108	0.9
121.02931	0.6
121.06498	1.0
121.10120	0.9
123.11673	0.6
125.05981	2.4
127.03919	4.5
128.06177	0.6
129.06984	1.0
131.05031	0.6
133.02875	0.7
133.10136	1.0
134.03601	1.4
135.04431	1.6
137.05971	4.0
145.02855	47.5
145.06506	0.9
145.10214	0.6
146.03267	0.6
147.04422	11.8
147.08092	0.7
149.05991	7.0
153.05466	1.6
159.08076	3.4
161.05916	1.1
161.09613	0.6
163.03915	3.3
165.06985	2.0
171.04457	1.1
171.68568	0.6
175.07613	0.9
177.05479	100.0
178.07756	1.1
179.03459	0.7
179.08569	1.2
181.06386	0.6
185.05995	2.8
186.05388	1.2
186.06810	3.1
187.07530	0.6
189.07031	2.5
190.07802	3.6
191.08594	5.3
193.06532	1.6
194.07240	1.1
195.06496	0.9
195.08139	0.9
202.07805	2.1
203.08559	1.6
204.05664	0.8
205.04849	0.6
205.06465	3.2
206.07324	2.4
207.08080	4.8
208.08830	3.4
214.06287	3.1
215.06845	0.9
217.06491	1.3
218.07272	6.7
219.08057	14.4
220.08888	5.7
221.06018	6.3
221.09665	1.5
223.07486	1.2
225.09172	1.2
226.59322	0.6
229.06500	1.2
229.08620	9.1
231.08286	0.7
233.05937	1.7
233.09680	2.0
234.06812	2.4
235.07523	11.2
236.08333	9.8
237.09160	2.6
238.06114	0.7
239.07030	1.0
246.06866	2.7
247.07530	12.1
248.08293	3.1
249.05476	4.0
249.09192	3.8
250.06290	1.9
250.09863	1.6
251.06979	1.3
251.10672	13.8
252.11118	0.6
253.08710	3.2
260.08237	0.8
261.09183	2.4
262.06296	1.8
263.07068	7.2
264.07828	16.5
265.08597	6.7
267.06491	0.7
267.10223	0.9
268.06958	0.9
275.07071	4.5
276.07837	0.8
277.08527	3.4
278.09433	4.7
279.10199	14.3
280.11005	1.3
281.08130	5.8
289.08517	1.0
291.06470	1.3
292.07300	4.0
293.08041	3.6
295.09622	1.5
296.10452	1.8
306.08881	1.9
307.09641	32.0
308.10291	5.9
309.07483	1.2
311.12778	25.4
312.12909	0.9
321.09396	2.9
323.09253	0.8
324.09894	3.8
339.12311	68.9
340.12576	0.9
347.19427	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
55.01867	1.3
55.05510	1.3
56.96548	1.1
57.60923	0.6
60.04480	0.6
65.03926	1.2
67.05476	1.1
69.03434	7.7
69.07054	1.0
70.06596	7.3
70.64181	1.7
71.05000	1.1
72.08141	2.4
79.05476	1.4
81.03388	1.8
81.07034	2.0
83.04981	0.5
84.04469	1.7
84.08159	5.9
85.02887	2.3
86.09705	3.9
89.03915	4.7
91.05460	2.3
93.03378	0.7
93.07015	2.0
93.93213	0.6
95.04961	0.9
95.08587	1.5
97.02872	1.8
98.06084	0.6
100.75963	0.5
103.05499	1.1
105.07022	1.9
107.04945	3.0
107.08585	1.0
109.02858	1.7
109.10172	0.8
110.03646	1.5
110.07214	0.8
111.04403	0.7
115.05462	1.5
116.06207	0.5
117.03387	18.3
119.04908	1.2
119.08631	1.3
120.08071	0.8
121.06522	0.9
121.10113	1.0
125.05970	2.0
127.03916	2.4
129.06973	1.4
129.10258	2.8
131.04897	1.8
131.08521	1.1
134.03618	1.1
135.04410	1.4
135.11600	0.7
137.05998	4.1
144.05730	1.1
145.02853	46.1
145.06467	1.8
146.07201	0.9
147.04405	1.9
149.05959	6.8
149.09575	0.6
151.03891	0.9
153.05479	2.2
157.09904	0.7
159.08061	4.6
161.06003	1.3
162.06772	0.9
163.03882	1.5
164.07243	0.6
165.05550	1.3
165.07005	2.5
167.07028	1.4
167.08522	0.6
171.04425	1.9
177.05482	100.0
178.05821	1.1
178.07799	1.7
179.08556	1.8
181.06430	1.0
185.05951	3.7
186.06885	3.1
189.06975	3.5
189.50591	0.6
190.07755	4.7
191.08554	7.3
193.06514	1.9
195.06444	1.0
195.08061	1.0
202.07802	1.3
203.06877	0.6
203.08612	1.6
204.06525	1.4
205.06487	3.4
206.07246	2.7
207.08098	5.7
208.08821	4.6
209.09579	0.9
210.06850	0.8
211.07567	0.9
214.06270	3.1
215.07014	0.7
217.06552	1.6
218.07266	7.4
219.08054	17.6
220.08830	6.3
221.05997	6.6
221.09578	2.4
222.06755	1.7
223.07574	1.2
225.09091	1.7
229.06540	0.8
229.08615	8.7
231.08025	1.0
233.06007	2.5
233.09615	2.0
234.06750	3.1
235.07549	13.0
236.08308	13.1
237.09120	2.3
238.06229	0.8
239.07164	1.0
245.06055	0.8
246.06783	3.3
247.07578	11.5
248.08238	3.2
249.05620	4.7
249.09129	3.9
250.06291	1.9
250.09897	1.7
251.06987	1.5
251.10692	20.0
252.07527	0.7
253.08543	3.4
261.09076	2.1
262.06235	1.5
263.07040	6.6
264.07846	21.0
265.08591	8.7
266.05725	1.0
267.10287	0.7
275.07101	4.2
276.08112	0.7
277.05286	1.3
277.08630	4.0
278.09396	5.9
279.10165	15.7
279.13101	1.2
280.10931	1.9
281.08124	7.0
289.08655	1.4
291.06546	1.4
292.07364	5.0
293.08087	5.2
294.08734	1.4
295.09802	1.2
296.10428	2.6
306.08893	1.7
307.09647	44.0
308.10400	5.8
309.07626	1.7
311.12781	35.3
321.09323	3.6
323.09180	1.1
324.09970	4.3
339.12311	82.3
340.12662	1.5
352.80807	0.6
363.73206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1074
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.05506	0.4
57.03435	0.3
60.97036	0.2
61.02921	0.8
63.02389	0.3
67.05509	0.3
69.03435	8.6
69.20674	0.2
70.63382	0.5
71.04990	0.3
73.39449	0.2
78.04726	0.3
79.05453	0.3
81.03426	0.3
81.07051	0.6
85.02891	0.6
85.77349	0.2
89.03924	4.6
90.76387	0.3
91.05488	0.5
93.07052	0.9
95.08622	0.6
97.02885	1.0
98.55349	0.2
99.04433	0.3
103.05496	0.2
105.07030	0.5
106.04208	0.5
107.04987	0.3
109.02908	0.5
109.06528	0.3
109.10146	0.3
117.03386	17.4
119.08607	0.3
121.06551	0.4
121.10107	0.4
125.11543	0.3
127.03915	3.9
134.03647	1.2
135.04408	0.8
135.11685	0.3
137.06009	0.5
145.02855	49.5
147.04442	0.3
149.05997	6.9
159.11798	0.3
162.03156	0.3
163.03935	0.6
177.05479	100.0
178.05827	0.5
186.05505	1.5
186.62474	0.2
189.90648	0.3
195.06543	1.1
215.07085	0.2
219.07990	0.3
226.01682	0.5
261.07538	0.6
265.38678	0.3
273.07608	0.3
303.23172	0.3
307.09641	0.6
321.09607	2.2
339.10873	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	339.123
Annotation	Terphenyllin
Peak:m/z	Relative Intensity
53.03931	0.5
54.20725	0.4
55.01862	1.0
55.05499	1.1
60.04511	0.5
60.34951	0.4
63.02361	0.6
65.03922	0.8
67.05491	0.7
69.03097	0.4
69.03432	6.1
69.07068	0.5
69.61252	1.7
70.06591	3.1
71.04993	0.7
72.00600	0.4
72.08138	1.0
75.02319	0.4
77.36960	0.4
79.05476	1.2
81.03428	3.4
81.07044	0.7
82.06541	0.4
83.08617	1.1
84.04497	0.8
84.08138	2.4
85.02898	3.9
86.09698	2.8
86.19450	0.4
87.09945	0.4
89.03919	6.0
91.05484	1.5
93.07043	1.2
95.04945	0.8
95.08604	0.6
97.02887	1.3
98.97591	0.8
99.04424	0.7
100.07586	0.5
100.11267	3.1
103.05456	1.0
105.07019	0.9
106.04152	0.5
107.04955	1.2
107.08620	0.7
109.02869	1.5
109.10117	0.6
110.03654	0.7
110.07146	1.0
111.04423	0.8
117.03386	19.9
117.06958	0.4
119.04953	1.0
120.08064	0.7
122.03691	0.4
123.04395	0.5
125.05985	1.3
127.03909	2.6
128.06210	0.9
129.07019	0.8
129.10233	1.6
130.04111	0.6
131.00856	0.4
131.04924	1.3
133.06335	0.5
134.03627	1.7
135.04428	1.5
137.05956	2.7
145.02849	51.5
145.06494	1.0
146.03281	0.4
146.07243	0.5
147.04375	1.7
149.05981	7.1
151.79353	0.4
153.05457	1.5
155.04945	0.6
158.06033	0.5
159.08084	3.0
161.05992	0.8
162.06779	1.1
163.03902	1.2
165.07016	1.2
167.07065	0.9
167.10654	1.1
171.04416	1.0
175.07600	0.7
177.05473	100.0
178.05843	1.0
178.07832	1.1
179.08537	0.6
181.06444	0.6
182.07217	0.6
182.15489	0.8
185.05954	1.7
186.05453	1.1
186.06825	1.3
189.06946	2.3
190.07748	2.7
191.08559	3.7
193.06479	1.4
194.07291	0.8
195.06487	2.1
195.08076	0.6
202.07825	1.3
203.08582	0.9
205.06541	3.0
206.07321	1.1
207.08057	3.3
208.08870	2.1
209.09735	0.5
210.14874	0.7
214.06261	2.5
217.06560	0.6
218.07248	4.4
219.08037	8.0
220.08862	4.0
221.05991	3.8
221.09630	1.5
222.06757	0.9
223.07578	0.6
227.17570	0.6
229.08578	4.7
231.08034	1.2
233.06015	1.0
233.09554	0.9
234.06789	1.6
235.07530	8.8
236.08333	8.2
237.09160	1.6
238.06299	0.6
246.06822	1.7
247.07539	5.5
248.08362	1.8
249.05420	2.2
249.09084	2.3
250.06151	0.9
250.09912	1.0
251.06863	0.6
251.10658	10.4
253.08644	1.4
261.09274	2.4
262.06357	0.9
263.04434	0.7
263.07016	5.0
264.07822	12.6
264.10687	0.7
265.08615	4.4
266.05829	0.5
267.10138	0.5
268.11020	0.7
274.06342	0.5
275.06964	2.9
276.07819	0.6
276.72690	0.8
277.05377	0.5
277.08517	2.6
278.06284	0.5
278.09430	3.2
279.06970	0.8
279.10181	9.1
280.06946	0.5
280.10834	0.9
281.08093	5.0
282.09070	0.5
289.08640	0.8
291.06601	0.8
292.07291	2.4
293.08121	2.4
294.08902	0.6
295.09549	0.7
296.10416	1.8
303.22974	0.5
306.08929	1.3
307.09644	24.2
308.10385	3.8
309.07666	0.9
311.09695	0.3
311.12769	20.8
321.09595	4.7
324.09760	2.3
339.12296	45.1
340.12503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
51.60806	0.2
61.02921	0.4
67.38542	0.3
69.03436	10.8
70.46326	0.3
70.46670	0.6
85.02889	0.5
86.09686	0.3
89.03921	4.8
91.05489	1.4
97.02892	0.9
103.05475	0.3
103.43832	0.3
109.02890	0.6
109.73132	0.3
117.03386	17.6
121.06450	0.3
127.03922	5.1
134.03635	1.1
135.04453	0.7
137.05945	0.5
145.02853	48.9
149.05984	6.5
162.03189	0.4
163.03937	0.6
177.05478	100.0
178.05827	0.6
186.05429	0.7
195.06451	0.7
215.07083	0.6
243.06506	0.3
261.07471	0.7
321.09689	2.9
339.10760	2.7
348.94440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03519	0.3
57.18670	0.4
66.88697	0.3
67.15127	0.3
69.03433	11.4
70.06602	0.8
70.56187	1.2
77.31557	0.4
84.08153	0.6
85.02885	0.5
86.09692	0.5
88.27343	0.4
89.03917	4.3
91.05489	0.6
97.02896	1.0
103.05476	0.4
106.04195	0.4
109.02846	1.0
110.07201	0.5
117.03381	17.8
127.03936	4.2
133.06500	0.4
134.03661	1.3
135.04370	0.6
137.05966	0.5
143.19937	0.4
145.02849	52.4
147.04376	0.5
149.05974	6.7
175.07626	0.4
177.05473	100.0
178.05774	0.9
186.05501	0.7
195.06543	0.8
215.07050	0.6
233.08035	0.4
245.08304	0.3
261.07513	0.8
317.75613	0.4
321.09763	3.2
334.11652	0.4
339.10748	2.7
342.48849	0.4
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	Unknow
Peak:m/z	Relative Intensity
54.86945	0.3
61.02927	0.4
69.03429	11.8
69.85648	1.5
70.06585	0.8
86.09704	0.5
89.03921	4.5
91.05502	1.0
97.02899	1.1
98.97589	0.7
103.05457	0.5
103.17065	0.4
105.26436	0.3
106.04156	0.6
109.02864	0.4
110.07153	0.4
112.22226	0.3
117.03383	17.8
127.03931	5.0
134.03641	1.1
135.04414	0.6
137.05980	0.6
145.02850	50.5
146.03146	0.4
147.04431	2.0
149.05991	6.6
163.03900	0.6
167.07004	0.4
171.40680	0.4
177.05476	100.0
178.05846	0.6
186.05464	1.0
195.06493	0.5
215.06969	0.4
261.07626	0.8
271.30453	0.3
307.09747	0.5
321.09729	2.8
324.09720	0.5
339.11249	2.4
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
54.33422	0.3
63.02365	0.4
69.03432	10.4
70.06592	1.3
70.55718	0.8
72.08154	0.7
81.89151	0.3
84.08167	0.3
86.09708	0.9
89.03922	5.3
91.05460	0.7
97.02910	1.1
102.05552	0.3
103.05489	0.3
109.02891	0.7
110.07167	0.7
115.96258	0.3
117.03386	20.9
119.04948	0.5
127.03916	4.7
129.10255	0.4
134.03658	0.9
135.04414	0.6
137.06004	0.8
145.02853	51.6
147.04385	0.8
149.05988	6.7
161.39763	0.3
162.03122	0.4
163.02242	0.3
163.03860	0.7
173.06029	0.9
177.05476	100.0
178.05862	0.4
180.02400	0.4
186.05458	0.4
187.07553	0.3
190.06316	0.7
194.44093	0.3
195.06557	1.1
207.01176	0.8
217.08598	0.4
233.08110	0.4
236.33723	0.4
243.06493	0.3
247.09595	0.9
251.03918	0.5
279.12357	0.4
321.09766	2.6
339.10468	2.8
339.14301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	24.6
61.02914	63.7
69.03429	52.0
69.54557	83.6
70.06590	24.9
72.08131	23.5
73.02911	48.9
77.12643	13.1
84.04492	14.0
84.08141	27.6
85.02899	72.9
89.20851	14.9
90.28160	15.9
94.93029	18.8
97.02895	66.5
101.00893	33.0
101.41683	13.7
103.00645	47.3
104.10715	17.7
104.78555	13.1
119.01904	40.7
121.01678	52.8
127.03939	22.8
131.01884	22.8
133.01692	16.7
135.03186	21.3
143.01900	51.5
145.03487	20.3
147.03203	49.0
155.01884	28.1
156.04190	20.4
157.03436	20.1
158.92159	55.4
159.03145	18.6
161.02946	45.3
163.02760	16.0
168.04735	14.3
173.01233	24.2
173.02997	45.2
177.04309	25.6
185.03035	21.5
189.00664	24.9
191.02252	21.5
203.04004	29.4
219.01598	66.8
226.86816	22.4
227.03902	16.7
245.05219	30.8
248.53802	47.3
249.03450	47.4
249.07010	25.9
270.84308	17.5
275.06082	14.3
279.28156	15.2
297.08728	28.8
339.04956	100.0
339.09445	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.05025	0.5
57.03420	0.4
60.04510	0.9
61.02934	1.7
63.02372	0.5
69.03423	4.2
70.06599	2.2
70.52482	1.0
72.08131	1.3
81.04520	0.5
83.06091	0.5
84.04484	0.5
84.08143	1.8
84.81032	0.3
85.02883	1.3
86.09695	0.9
89.03915	3.2
97.02859	0.4
98.97552	0.5
100.37898	0.3
102.05537	0.4
109.02859	0.5
110.07173	2.7
117.03382	15.4
119.04922	0.7
120.08084	1.0
121.08439	0.9
127.03893	1.8
129.10228	0.9
134.03619	0.7
135.04443	0.6
136.07530	0.7
137.05966	1.6
145.02843	49.1
146.03246	0.5
147.04416	0.9
149.05969	5.9
150.05487	0.5
152.07051	0.6
162.03073	0.4
163.03899	1.2
164.07069	0.6
177.05470	100.0
178.10548	0.5
186.05356	0.4
195.05013	0.8
195.06602	1.2
211.58185	0.3
217.19617	0.3
241.47757	0.3
265.11139	0.4
294.05609	0.4
303.13324	1.0
321.09796	1.2
338.67282	0.5
339.10580	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	338.2691
Annotation	Melophlin I
Peak:m/z	Relative Intensity
55.01866	1.6
55.05507	7.4
56.96568	1.7
57.03428	1.5
57.07074	1.9
58.74969	1.3
58.95241	1.2
59.64312	1.2
62.06095	93.8
63.43790	1.2
64.70011	1.5
67.05504	23.5
68.64838	1.3
69.07069	7.4
70.02985	1.4
71.08641	21.4
71.52501	1.6
79.05503	13.9
81.03413	1.4
81.07055	17.4
83.04987	3.6
83.08624	3.8
85.06544	1.6
91.05488	8.0
93.07055	14.1
95.04948	3.3
95.08618	17.9
97.06553	2.0
97.10156	2.5
98.06068	4.3
98.97599	2.0
99.08102	15.1
105.07035	5.1
107.08607	10.5
109.02860	1.4
109.10181	7.2
119.08611	5.7
121.10140	5.5
123.11754	2.0
129.07016	1.8
131.08569	3.1
133.10135	4.6
135.11697	5.9
136.93132	3.4
145.10159	2.8
151.11212	6.4
154.94174	5.8
161.13258	5.1
163.11200	1.8
172.95242	5.5
179.14307	9.1
196.13440	2.5
214.14377	2.7
222.18558	16.4
240.19611	25.3
241.19852	1.5
259.20569	3.2
277.21631	5.6
298.98428	2.7
316.99500	3.0
320.25870	100.0
321.24124	1.7
338.23639	7.8
338.26923	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	337.2374
Annotation	Rubescensin I
Peak:m/z	Relative Intensity
55.05500	13.3
67.05502	22.6
69.07062	20.6
69.28159	18.8
69.28585	31.7
70.06593	8.6
71.04997	21.0
79.05496	23.9
81.07061	50.9
83.04955	8.3
83.08614	10.8
85.06554	11.2
90.43636	5.5
91.05478	22.4
93.07056	29.4
95.04970	11.4
95.08624	37.8
95.50062	5.4
97.06500	10.7
98.20618	5.3
99.04449	8.8
99.08114	9.0
105.07044	49.5
107.08584	37.1
109.06516	11.7
109.10146	29.2
111.08087	7.1
112.11215	5.7
117.07027	9.1
119.08611	25.4
121.06496	13.4
121.10159	30.3
123.08010	6.4
123.11712	12.7
125.09628	6.7
127.11147	9.5
131.08574	19.6
133.10159	51.0
135.08051	8.3
135.11726	13.9
137.09648	8.7
143.08591	6.4
145.10139	27.0
147.08041	6.5
147.11700	21.7
148.16077	5.8
151.11205	11.3
157.10109	13.5
159.11728	15.8
161.09621	16.1
163.11224	21.3
171.11687	9.2
173.09624	7.6
173.13298	16.0
175.11153	6.0
175.14935	8.1
187.14821	7.1
191.14366	18.0
197.13309	13.9
201.16336	6.6
215.14423	11.0
217.15939	7.4
231.17567	7.5
233.15192	6.0
245.72282	6.1
258.93372	5.3
277.08578	6.8
293.08157	5.5
301.21643	100.0
305.08200	14.2
319.22739	12.1
319.26355	13.1
337.10931	30.0
337.16785	17.9
337.27536	12.8
339.56296	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	338.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18045	0.5
51.15723	0.5
55.01872	3.3
55.05511	0.9
61.02921	1.1
67.05495	1.7
69.03425	3.7
70.06595	1.7
71.02293	1.5
71.04996	0.8
72.08153	1.3
79.05484	2.9
81.03421	0.9
81.06602	0.6
81.07064	11.2
83.08620	1.0
84.08166	1.0
85.02908	8.7
86.09702	2.2
89.03919	0.8
93.07030	1.1
95.08611	16.4
97.02896	2.5
97.06534	55.8
99.04480	0.6
105.07063	0.6
109.02902	0.7
110.07180	2.0
111.08089	2.3
117.03389	3.1
120.08141	1.1
123.08072	19.4
127.03925	1.9
130.06564	0.7
135.04314	0.5
137.05988	1.2
141.09106	100.0
145.02850	7.4
145.04958	1.5
149.05978	0.9
159.10175	11.8
163.03947	0.9
177.05478	14.8
177.06906	1.0
338.07361	1.5
338.11703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
50.06377	0.2
53.03954	0.9
55.01871	1.2
55.05512	26.4
57.03439	16.8
57.03656	0.3
57.06792	0.2
57.07079	3.7
59.05008	0.2
65.03948	1.9
67.05505	55.9
69.03442	0.4
69.07068	32.1
70.68734	0.6
71.04996	1.3
71.08633	1.8
77.01959	0.2
77.03950	0.3
79.05492	14.2
81.07056	52.7
82.07389	0.2
83.04988	1.6
83.08619	15.9
85.06536	1.3
85.10193	0.6
90.35983	0.2
91.05481	9.2
93.07044	13.0
95.04988	0.8
95.08607	40.0
95.83932	0.2
96.96371	0.2
97.06532	3.3
97.10169	7.6
99.08072	1.2
105.04559	0.2
105.06313	0.3
105.07028	5.7
107.08591	6.8
109.06528	0.8
109.10157	14.3
111.08095	1.8
111.11707	1.8
113.09672	0.5
119.08582	6.0
121.10139	6.7
123.08092	1.0
123.11705	6.2
125.09628	1.2
127.11185	0.5
131.08560	0.5
133.10133	5.0
135.11697	3.6
137.09639	0.9
137.13264	2.6
139.11195	0.7
147.11670	2.9
149.13255	1.7
151.11186	0.8
151.14815	1.1
153.12764	0.6
161.13251	2.6
163.14818	1.9
165.12793	0.3
165.16434	0.5
167.14325	0.3
175.14812	1.9
177.16383	0.4
179.14369	0.2
179.17885	0.2
181.15881	0.3
189.16405	0.7
193.15840	0.3
203.17926	0.3
245.22626	1.3
263.23724	3.0
337.27359	100.0
338.27689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0893
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
50.04559	2.0
53.14791	2.0
60.96861	1.7
63.20345	2.1
64.33691	1.8
66.52900	2.0
70.78893	3.5
70.79230	3.0
87.22879	1.9
96.76572	2.4
99.31125	2.1
99.59190	1.9
101.00843	2.6
112.89559	6.5
118.08602	4.4
119.01892	2.1
119.08986	2.6
120.09060	2.6
145.03461	2.6
147.67892	2.5
173.02881	2.2
175.04498	6.5
184.06346	3.2
217.01900	5.9
247.86038	2.0
256.70197	2.1
277.07535	5.1
295.08746	4.1
337.08832	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14307	0.3
61.72946	0.3
79.05468	0.3
89.03920	5.2
91.05486	0.8
98.21541	0.6
106.04190	0.5
117.03386	20.3
117.07039	0.9
134.03635	1.1
135.04411	0.9
144.07011	0.6
144.08093	7.5
145.02850	51.9
146.03288	0.5
149.05989	7.6
155.79462	0.3
161.10756	0.5
163.03902	0.5
177.05476	100.0
178.05791	0.6
179.60045	0.3
185.46184	0.3
186.05548	1.5
222.70349	0.3
262.06131	0.3
265.12027	0.3
320.12628	0.4
329.90634	0.3
337.10953	0.5
337.15372	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
50.38273	4.1
55.05511	10.2
57.07059	6.9
67.05515	21.3
69.03419	6.2
69.07052	8.1
70.06593	8.9
70.70666	12.0
70.87266	4.3
71.04993	21.0
79.05472	17.3
81.07059	51.2
83.05003	4.5
83.08640	5.9
85.06532	7.2
86.09663	4.2
91.05469	17.1
91.73565	4.1
93.07043	33.3
95.04986	9.8
95.08617	42.0
97.06519	6.6
98.97571	7.6
99.08110	7.5
105.07031	50.1
107.04971	9.4
107.08597	41.6
109.10152	39.0
113.08083	4.6
117.06972	6.1
119.08575	40.5
121.06514	5.0
121.10160	29.0
123.08046	5.7
123.11697	9.2
125.09672	11.2
127.07578	4.6
127.11162	8.4
131.08554	13.8
133.10136	52.7
135.08046	8.8
135.11697	22.4
137.09636	9.9
143.08600	10.2
145.10143	25.2
147.11668	19.9
149.13275	5.9
157.10124	11.6
159.11656	17.4
161.09615	11.8
161.13290	10.7
163.11116	7.4
163.14720	5.9
171.11571	8.3
173.09689	6.4
173.13263	14.0
175.07512	4.5
175.11131	5.4
175.14780	5.4
187.14789	9.7
191.14301	19.5
197.13170	9.7
199.14813	5.3
201.16330	14.7
203.07066	7.0
213.16322	7.6
215.14275	7.8
217.15868	9.7
219.17453	17.9
247.15547	4.5
251.06940	5.4
273.22086	13.9
276.07837	7.4
277.08566	6.9
283.20575	12.1
301.21628	100.0
305.08020	9.8
319.22705	10.4
337.10818	33.7
337.17172	5.5
337.25421	5.3
353.88962	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	336.1919
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
52.96852	0.6
69.07071	0.9
70.06596	1.6
70.76914	0.8
70.77232	0.8
72.08138	0.9
75.05590	0.8
77.38384	0.5
84.08147	1.2
86.09712	100.0
93.07045	0.8
97.56557	0.7
103.05466	2.3
107.05003	0.7
116.07120	0.6
120.08112	69.5
129.10280	0.9
131.04996	1.3
132.10233	1.3
143.11807	82.2
143.67584	0.6
149.06047	0.8
158.21817	0.6
164.51462	0.6
166.08652	37.8
171.11298	23.5
177.10234	8.8
180.10147	0.9
205.09738	2.0
237.12306	0.7
247.07562	0.7
265.08679	1.2
279.17032	0.8
310.61899	0.6
316.36652	0.7
336.15924	2.1
357.70877	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.0
62.21025	3.4
70.06588	10.3
71.51019	4.4
72.08144	5.3
73.02910	3.6
76.79342	3.5
82.99830	6.3
84.04507	4.5
85.01440	4.1
85.02900	6.5
97.02889	5.4
101.00886	26.3
103.02457	7.1
104.10717	7.9
113.00849	8.9
115.02434	8.6
118.08640	12.3
119.01929	32.2
120.08104	5.4
127.02430	15.0
128.08403	3.6
131.01898	16.8
133.03485	19.2
137.05974	5.1
143.01828	10.2
145.03458	46.7
155.01871	18.3
157.03484	12.1
161.02963	7.0
163.04520	4.9
168.99847	7.0
171.01364	10.1
173.02980	32.9
175.04501	14.6
175.11934	3.6
176.72942	4.8
177.02425	4.3
184.06386	10.3
185.03038	4.4
187.04501	8.1
189.02461	14.1
199.00787	8.9
211.04628	4.3
215.00470	7.3
217.01936	71.9
217.03751	6.0
217.05534	5.0
229.01962	21.7
235.02962	12.5
247.02974	18.4
247.06758	5.3
249.94653	3.6
265.03961	4.6
277.04169	6.1
277.07745	9.8
295.08859	10.5
336.57196	3.9
337.05591	6.2
337.08884	100.0
337.17191	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	335.2218
Annotation	Excoecarin V1
Peak:m/z	Relative Intensity
55.01854	3.4
55.05496	9.7
56.96616	2.8
57.03449	14.5
57.07075	3.2
61.02938	15.1
67.05509	21.1
69.03431	40.1
69.07071	15.0
69.61565	5.5
69.61973	11.8
70.16643	2.7
73.02925	4.1
75.04430	3.1
79.05480	12.3
81.03417	3.3
81.07063	48.3
82.25530	2.5
83.04985	9.7
83.08616	7.6
85.02910	24.4
85.06536	3.2
87.04482	22.3
91.03952	10.4
91.05492	22.5
93.07050	38.2
94.55963	3.0
95.04974	11.8
95.08614	49.9
97.02896	25.1
97.06523	8.8
97.10159	3.0
98.21486	6.2
98.96689	3.3
102.55742	2.6
105.07030	49.9
107.08607	38.5
109.06507	12.2
109.10155	28.1
111.04477	7.4
115.03942	23.2
117.07041	8.5
117.55039	2.9
119.08591	42.8
121.06513	4.1
121.10157	21.5
123.04430	7.0
123.11710	8.9
129.07033	3.9
131.08586	22.9
133.04997	14.8
133.10130	24.5
135.08083	4.5
135.11707	8.4
137.05992	4.4
137.67671	3.1
138.06345	3.7
141.05539	4.5
142.07849	5.0
143.08577	15.0
144.09340	4.1
145.10133	48.3
147.06413	2.6
147.11714	28.2
149.13287	11.7
153.06985	3.0
155.08578	4.6
156.09355	3.3
157.10120	20.5
159.06511	12.4
159.07869	3.5
159.11726	32.3
161.09634	4.1
161.13298	14.2
169.10095	7.1
171.11731	14.9
173.08226	3.9
173.09612	3.0
173.13287	17.2
175.11201	5.5
175.14832	9.0
177.16458	5.3
179.68349	3.0
183.11725	5.7
185.13239	11.7
187.14821	15.3
189.16417	44.6
195.11673	5.6
197.13293	7.1
199.14795	7.0
199.79356	3.2
201.16376	54.0
202.11008	4.3
203.11406	3.0
203.18022	17.8
209.05898	3.9
211.14822	9.2
213.16399	18.8
215.17973	23.1
217.12952	4.9
217.19572	6.1
223.14854	3.0
225.12819	2.8
225.16431	6.2
227.18016	12.2
231.17401	3.0
241.19768	4.2
243.17474	7.1
245.19029	23.7
251.17947	4.6
253.19559	5.2
265.04974	8.1
269.19086	3.8
273.20450	3.6
281.19077	11.2
287.20084	7.3
295.06076	23.3
299.20071	20.4
317.21033	23.0
318.18988	4.1
335.08838	3.7
335.21844	100.0
336.08640	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	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05520	3.3
56.17423	0.4
57.03440	3.5
65.03944	0.9
67.05512	14.0
69.07072	3.7
69.83988	1.4
69.84399	0.8
76.57844	0.5
79.05499	7.7
79.39115	0.4
81.07066	12.4
81.07536	0.9
83.04937	0.7
83.08606	1.5
91.05487	3.8
93.07056	7.9
95.04955	0.6
95.08616	11.6
97.06573	0.7
97.10157	0.5
98.20883	0.6
105.07031	2.3
107.08611	3.6
109.10161	4.1
117.07043	0.9
119.08591	1.5
121.10126	2.8
123.11753	0.9
131.08591	1.3
133.10164	1.2
135.11729	1.9
145.10141	1.2
147.11681	0.9
149.13362	1.0
159.11755	1.1
161.13266	0.8
163.14807	0.5
164.04883	0.4
172.68158	0.4
173.13318	0.6
195.09969	1.7
234.59698	0.4
243.21109	0.9
261.22235	1.5
317.24707	0.4
335.22031	100.0
335.25873	19.8
336.22412	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70336	0.3
55.05502	1.4
57.03436	1.0
67.02975	0.4
67.05511	4.8
69.07064	1.5
69.55893	1.7
69.56301	0.6
79.05509	2.7
81.07063	3.8
83.08644	0.4
88.30495	0.3
91.05477	1.1
93.07037	2.7
95.08607	3.4
96.63877	0.3
105.07049	0.6
107.08623	1.2
107.26804	0.4
109.10178	1.2
119.08640	0.4
121.10137	1.1
131.08534	0.7
133.10098	0.6
135.11708	0.7
195.09930	0.9
243.26219	0.3
275.84479	0.3
293.47849	0.4
299.95514	0.5
335.21973	100.0
335.25681	7.6
336.22305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.5
57.03436	0.9
63.94251	0.3
65.03926	0.4
67.05508	1.9
69.07060	0.7
69.85147	1.6
69.85557	0.8
75.34292	0.4
79.05488	1.2
81.07053	2.6
83.08640	0.4
84.08145	0.4
91.05497	0.6
93.07040	0.8
94.41681	0.3
95.04010	0.3
95.08603	1.5
98.20818	0.5
105.07006	0.7
107.08574	1.0
109.10162	0.9
109.84629	0.4
119.08535	0.5
121.10126	0.6
129.06973	0.4
135.11708	0.4
178.78470	0.4
195.09944	1.0
257.12369	0.5
317.19955	0.4
335.21927	100.0
336.22217	1.5
353.21701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2193
Annotation	13,14-dihydro-15-keto Prostaglandin J2
Peak:m/z	Relative Intensity
55.05509	0.4
56.96568	0.5
58.38066	0.3
67.05502	0.9
69.07071	0.5
70.12659	1.6
79.05499	0.6
81.07055	1.2
91.05487	0.5
93.07050	1.0
95.08588	0.9
107.08632	0.4
116.86684	0.3
121.10172	0.5
128.07043	0.3
131.08574	0.3
133.10139	0.4
135.11674	0.4
151.82426	0.3
201.09781	0.4
317.20541	0.8
335.21927	100.0
336.22250	1.5
353.21634	0.8
358.22086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17806	0.5
53.03937	1.1
54.16043	0.6
54.21671	0.6
55.05521	5.5
57.03443	5.3
57.07056	1.0
65.03952	0.7
66.58411	0.6
67.05511	20.5
69.07072	5.3
69.83665	2.4
70.61923	0.6
71.04984	0.8
79.05502	8.9
81.07062	15.6
83.04970	1.1
83.08625	1.1
85.06567	0.9
91.05482	4.7
91.81664	0.6
93.07051	11.4
95.04948	1.1
95.08618	13.5
95.70947	0.6
97.06536	1.0
103.63770	0.6
105.07037	4.0
107.08601	5.7
109.10171	6.5
117.07024	0.8
119.08591	2.9
121.10134	5.3
123.08051	1.2
123.11694	1.2
131.08597	1.8
133.10129	1.6
135.11673	2.0
145.10114	1.1
147.11710	1.2
149.13274	1.6
159.11723	1.0
173.13303	1.1
212.76031	0.6
225.31171	0.6
261.22070	1.0
317.20877	1.4
335.21909	100.0
335.25827	26.4
336.22159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68544	0.6
52.55103	0.6
53.03923	0.7
55.01847	1.1
55.05499	2.7
56.05028	1.0
57.07045	0.7
60.04507	0.6
63.64966	0.6
65.03915	0.8
67.05490	1.4
68.14340	0.7
69.03421	0.9
69.07054	1.9
69.19022	5.3
69.19434	0.8
70.06599	16.4
71.04976	0.7
71.06906	1.2
72.08162	7.7
79.05486	2.1
81.03406	0.7
81.07049	1.1
84.04518	5.4
84.08148	5.4
85.02925	1.2
86.09248	0.7
86.09715	10.3
87.10030	1.4
88.03976	0.9
91.05472	1.9
93.07034	1.1
94.06562	1.5
95.08594	0.7
96.04496	1.7
97.02901	1.0
97.06558	0.9
98.06039	1.1
98.97590	1.9
102.05513	0.6
104.77430	0.7
105.07005	0.7
106.06572	0.7
107.04954	0.9
107.08577	0.7
108.04480	1.7
110.06020	1.7
110.07171	4.1
112.08701	0.7
113.07137	0.7
116.07102	3.2
116.69932	0.6
117.07061	0.6
120.04457	2.2
120.08138	3.5
121.08463	1.4
122.06038	4.1
124.03955	1.8
125.09648	0.7
126.05547	0.9
127.03908	0.7
128.06239	1.0
129.06975	1.1
129.10246	3.1
130.05017	1.1
130.06560	1.2
131.08562	1.2
132.08040	1.0
132.10175	1.2
136.03984	0.7
136.07597	9.0
137.05978	1.3
143.07240	1.1
143.08542	0.9
144.08075	2.8
145.10072	0.8
146.06052	3.3
146.08354	0.7
146.09659	1.1
147.09160	1.0
148.03911	1.3
150.05559	1.1
151.03920	0.7
152.07050	1.1
154.04950	0.9
154.06494	1.3
155.07234	1.0
156.08139	3.5
157.06543	0.7
157.08842	1.1
158.08502	0.9
158.09676	3.7
159.09135	0.7
160.07602	2.5
160.11201	0.7
161.10715	0.8
162.05507	1.6
162.09183	0.6
163.03922	0.9
164.07086	4.5
167.07047	2.1
170.05980	0.8
170.09641	4.6
171.07973	0.9
172.07588	7.9
172.09950	2.4
172.11227	1.3
173.07080	1.1
173.10788	3.3
174.07855	1.4
174.09158	3.2
175.08636	4.5
177.05553	1.0
182.08273	1.1
183.06691	0.9
184.07597	9.8
185.07077	0.9
186.07805	1.5
186.09160	9.2
187.08662	1.9
187.12302	6.0
188.07074	3.6
188.09389	1.5
188.10890	2.4
189.10257	4.2
190.08685	0.9
196.07487	1.0
197.10815	1.3
197.12880	2.1
198.09169	12.1
199.08601	4.5
200.07074	15.3
200.09393	5.2
200.10796	2.2
200.12312	0.8
201.07208	0.7
201.10257	12.2
202.08672	2.0
210.08875	0.7
211.08591	4.0
212.07185	3.2
213.06598	2.2
213.10246	2.1
214.07024	1.6
214.08672	3.5
214.10957	1.4
215.08197	2.8
215.11790	17.0
216.08939	2.0
217.09750	6.5
225.10197	2.0
226.08720	6.9
227.08147	10.4
228.06551	3.7
228.08910	3.0
229.09738	31.8
230.10402	1.3
239.08167	2.4
240.08849	0.8
241.09711	2.6
242.08231	1.2
242.10423	3.5
243.11313	32.8
245.09235	36.9
253.09706	6.2
254.08109	1.7
256.08508	1.0
257.09225	11.9
258.10062	2.5
259.10770	7.3
261.12384	1.4
270.07501	0.7
271.10791	100.0
272.09039	0.8
273.12421	5.1
275.10190	1.0
281.09207	11.7
283.08588	2.8
286.09503	0.8
287.10284	28.8
288.10916	1.8
289.08557	0.8
289.11844	16.7
299.10281	34.5
304.10492	1.5
305.11383	12.9
305.14664	0.4
307.08527	1.3
307.12842	1.2
317.11343	28.7
325.09641	0.8
335.12387	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	334.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02192	0.6
55.05511	1.1
56.05019	1.2
56.96565	1.2
57.07080	5.7
60.04531	4.4
65.52471	0.5
67.05501	1.4
69.07067	0.8
70.06599	11.1
70.98075	0.5
71.08618	1.3
71.51812	0.7
72.08154	1.2
79.05495	1.1
81.07027	1.7
84.08137	2.2
85.06528	1.0
85.10159	0.6
86.09686	0.9
88.07638	9.6
89.06037	1.0
91.05456	1.9
93.07028	0.9
95.08611	1.1
97.02917	0.6
98.97582	1.9
98.98443	0.7
102.09176	1.9
104.68410	0.6
105.07022	0.9
107.08566	1.0
109.06510	0.9
111.04430	3.0
114.09166	5.6
116.98627	1.0
118.08623	0.8
119.08578	0.9
120.08087	0.8
124.05215	6.3
125.05968	1.0
129.34824	0.6
132.10210	21.4
135.07971	0.6
135.11636	1.0
137.04909	0.6
137.05971	11.9
138.06305	1.3
145.10098	1.0
149.02385	0.7
150.02698	0.7
153.07857	2.8
154.08607	2.6
162.11209	0.7
163.11246	0.9
167.07010	1.5
168.07419	1.5
171.03836	0.7
176.12827	3.0
177.05505	0.7
181.12201	5.5
181.38098	0.6
194.13921	4.8
196.14075	0.6
214.21661	1.7
222.96344	0.7
224.87877	0.6
228.23203	4.5
246.24287	3.5
258.11597	0.6
280.26602	0.9
289.10309	0.8
290.26825	2.1
316.28357	1.0
334.09476	4.4
334.20285	3.0
334.29510	100.0
335.29886	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.4
55.01869	0.5
55.05515	3.9
56.05043	3.3
56.96551	0.7
57.03443	0.7
57.07078	2.9
60.04528	100.0
60.92976	0.4
67.05508	9.5
68.05029	1.2
68.79689	0.4
69.07071	6.7
69.45868	0.4
69.46198	2.9
70.06585	1.0
71.04983	0.4
71.08633	1.9
72.04517	3.4
74.06087	1.7
79.05483	3.2
80.05024	2.1
81.07059	10.7
82.06595	2.1
83.04968	1.2
83.08619	6.4
84.04520	1.1
84.08152	1.0
85.10174	0.8
86.06094	0.5
90.05561	1.2
91.05495	2.3
93.07056	3.5
94.06567	1.2
95.04988	0.6
95.08611	12.7
96.08117	1.1
97.06530	1.2
97.10175	3.1
98.06032	0.9
98.97604	0.7
100.07668	0.5
102.05544	2.6
105.07043	1.4
107.08616	1.8
108.08096	0.7
109.10166	6.7
111.08051	0.7
111.11714	1.0
116.07089	1.6
119.08568	0.9
121.10150	2.2
122.09663	0.4
123.08075	0.5
123.11696	1.9
125.13274	0.5
129.09117	0.4
133.10129	1.3
135.11713	1.1
137.13290	1.1
151.14819	0.7
161.13254	0.5
164.07011	1.2
178.08577	0.6
208.56543	0.4
209.19041	0.7
221.22594	0.9
239.23691	2.3
250.25282	1.0
251.23653	0.8
262.25308	1.2
263.23666	0.9
268.26434	0.6
280.26334	10.2
298.27420	16.8
316.28461	49.1
334.29514	52.1
335.29770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35146	0.1
58.06595	2.9
58.97315	0.1
59.07380	1.9
60.05642	0.2
60.20235	0.1
61.21631	0.1
70.06600	1.6
70.73039	0.3
99.96790	0.1
102.06667	0.5
116.07100	0.6
118.08657	100.0
130.87088	0.1
134.38321	0.1
134.45068	0.1
153.15651	0.1
156.04277	0.1
158.09267	0.6
217.12965	1.9
302.31537	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	334.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34971	0.3
55.05518	0.6
57.06799	0.3
57.07077	5.5
58.06599	2.2
60.04517	0.6
66.48698	0.4
70.06597	17.3
71.08632	1.6
71.51715	0.8
72.08149	1.0
84.08143	1.1
85.10178	1.2
86.09680	1.3
88.07635	15.5
89.05986	0.4
95.08600	0.6
96.74340	0.3
102.09191	9.9
114.09159	0.6
132.10240	3.2
137.05972	0.5
146.11745	2.8
167.06941	0.4
183.99637	0.4
184.20628	1.7
210.22176	0.6
213.04030	0.6
214.04321	0.9
219.03455	0.4
228.23233	42.9
229.23547	0.6
272.25842	13.7
316.28476	3.7
334.09085	2.5
334.29517	100.0
335.29971	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66112	0.3
55.05515	0.4
56.05039	4.1
57.06798	0.2
57.07080	3.6
58.06602	7.0
60.04532	1.9
68.05029	0.6
69.07082	0.3
70.00638	1.1
70.06599	0.7
71.08637	1.9
72.08164	2.7
74.06081	4.3
74.21774	0.2
75.04495	0.4
82.56073	0.3
84.08158	0.4
85.10211	0.5
86.06077	3.7
87.04466	0.5
88.07637	29.0
89.06062	0.4
100.07600	1.3
102.09187	0.5
104.07114	3.3
118.08669	1.0
132.10213	7.2
162.11264	2.6
166.10779	2.1
210.22211	0.6
221.91560	0.2
226.25276	0.3
228.23253	0.8
242.24802	30.5
254.24831	0.6
286.27426	10.2
316.28433	1.6
334.29520	100.0
335.29822	1.6
340.33322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86702	0.6
55.01873	1.0
56.05032	1.7
57.03427	2.4
60.04525	1.3
60.86076	0.8
61.02917	2.6
69.03432	5.6
70.06604	4.6
71.02605	1.7
71.04990	2.0
72.08167	3.4
73.02931	1.1
74.06077	5.2
81.02976	0.7
81.03414	2.9
82.64938	0.6
84.04494	4.1
84.08138	6.2
84.99145	0.7
85.02908	25.2
85.08427	0.7
86.09717	8.0
87.04503	0.8
87.05563	1.0
88.09925	0.8
91.03947	1.3
91.05473	9.7
97.02895	5.7
97.34819	0.7
98.97579	2.0
99.04475	0.9
102.05497	1.1
109.02882	1.2
109.06487	0.9
110.07153	1.1
112.07639	0.9
116.07102	3.4
118.08643	1.1
119.04967	7.2
120.08134	1.9
123.04451	1.4
127.03925	4.7
129.10242	2.3
130.06573	3.6
130.08636	2.2
132.08098	6.1
132.10246	1.1
137.05981	100.0
138.06274	0.9
143.08171	1.1
144.08098	4.2
145.04976	7.4
151.07576	1.2
155.07045	13.6
159.09181	10.9
161.06009	1.0
164.07034	0.7
167.06961	0.9
170.06081	4.8
173.12877	0.8
175.10829	1.7
179.07085	3.1
180.08662	5.8
187.14458	1.2
199.99211	0.8
203.06676	1.8
203.10304	2.5
219.01706	0.8
221.09207	0.8
245.08095	1.1
263.09186	1.3
276.11777	0.9
316.18579	2.8
317.11365	7.3
334.08002	0.9
334.13995	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1398
Annotation	Oglufanide
Peak:m/z	Relative Intensity
55.05512	1.5
56.05041	7.6
56.96589	1.2
60.04529	2.0
69.07069	1.1
70.06207	2.0
70.06593	37.5
72.08158	11.2
74.06071	2.4
84.04504	57.9
84.08139	13.8
85.02903	2.5
85.04000	1.4
85.08477	1.2
86.09708	15.1
88.04006	2.0
91.05494	2.9
93.07665	1.0
98.06052	1.1
98.97585	2.5
98.98455	1.3
100.07638	3.3
101.07043	1.2
102.05548	9.5
103.05445	1.5
104.05370	1.2
105.08224	0.9
109.12676	0.9
110.07163	5.8
111.04417	1.5
111.05549	2.9
111.55238	1.2
113.02391	0.9
115.97660	1.0
116.07105	11.4
118.06540	11.8
119.04935	1.9
120.08118	16.0
125.07151	7.1
129.06622	1.6
129.10248	8.7
130.06528	77.9
132.08099	27.1
134.08122	1.4
136.07574	3.1
137.05988	4.6
139.04996	5.2
139.69695	1.1
142.06531	2.9
143.07307	1.1
143.11778	2.4
144.08095	11.0
146.06013	51.5
147.04419	6.3
153.05507	1.9
153.06612	7.9
156.07777	1.4
157.06082	1.8
158.06007	2.4
158.08347	1.1
159.09178	23.1
160.09502	1.4
165.05641	1.2
167.07043	2.6
169.07643	3.9
170.06010	14.6
180.08005	1.4
187.08914	6.8
187.10707	9.0
188.07068	100.0
191.11826	1.5
195.06422	1.3
201.12341	1.2
203.44545	1.1
205.09721	26.1
206.46228	1.1
217.13268	1.5
225.10219	7.4
245.12938	1.9
252.11327	3.0
253.09651	2.6
270.12384	44.1
271.10739	1.4
274.10965	1.4
280.10806	5.2
288.13583	1.4
298.11841	12.3
316.12912	70.2
334.15366	15.1
334.21417	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	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45156	0.5
54.11320	0.4
55.61428	0.4
57.07050	0.5
58.39470	0.6
61.82625	0.5
69.60088	3.1
79.55028	0.4
81.07049	0.5
81.21553	0.4
81.23445	0.5
91.05477	0.7
98.98470	5.0
108.34756	0.5
119.08566	0.6
131.08438	0.5
137.05956	0.5
176.98993	1.3
193.05049	0.7
207.09923	2.1
221.11531	1.6
235.13138	0.6
283.97488	0.4
287.20370	0.6
302.81522	0.4
315.19247	0.5
333.03757	9.0
333.17004	3.8
333.20370	100.0
334.20639	0.7
336.28162	0.5
342.45929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2635
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.48714	1.6
55.01875	2.2
55.05517	16.4
57.03447	1.7
57.07083	2.5
60.85930	2.0
67.05506	52.7
69.07074	24.9
70.71738	5.1
71.04998	5.1
74.26858	1.6
77.97720	1.5
79.05491	18.6
81.07059	76.4
83.04998	3.3
83.08622	8.3
83.09063	1.6
85.06525	6.1
91.05479	11.3
93.07047	25.9
93.99699	1.5
95.08608	72.6
97.06527	7.0
97.10158	8.2
98.20828	1.9
98.98483	2.3
105.07022	7.6
107.08588	13.7
109.10155	34.4
117.07034	2.8
119.08607	8.1
121.06491	3.2
121.10134	14.5
123.08080	3.3
123.11688	14.8
125.09608	3.9
131.08591	5.0
133.10097	8.5
135.11694	10.7
137.05969	4.9
137.13281	8.1
139.11140	2.9
145.10153	4.9
147.11693	6.9
149.13266	3.9
151.11140	2.6
153.12715	1.7
155.10710	2.9
156.07169	1.9
159.11719	4.0
161.13255	7.2
165.12727	3.5
165.16428	2.2
167.07080	5.7
173.11768	2.3
173.13312	5.0
179.14330	5.0
181.12247	2.0
187.14827	4.1
194.38489	1.7
195.13821	2.8
203.74310	1.8
209.15417	3.6
216.42238	2.0
219.20996	1.8
223.16910	3.3
228.00574	1.6
243.21141	8.7
246.96150	1.7
251.07512	2.2
261.22119	24.6
279.23203	100.0
288.09888	3.2
297.24292	9.6
332.60461	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.96553	1.1
62.21392	0.4
67.05503	0.6
69.07059	0.6
69.97581	0.3
81.07050	1.0
85.86234	0.4
91.05482	0.9
93.07043	0.6
95.08620	1.0
98.98473	6.5
100.98882	0.6
105.07019	1.2
107.08572	1.1
109.10170	0.8
110.84933	0.5
111.72099	0.4
119.08626	0.4
121.10113	0.4
131.08537	0.5
133.10202	0.6
134.25916	0.4
137.05934	0.5
159.11682	0.7
176.98868	0.7
228.19035	0.5
245.14931	0.5
247.13136	2.3
247.15393	0.5
300.66559	0.6
315.19324	5.7
333.20380	100.0
334.20792	0.8
334.29565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.96567	2.2
57.07064	0.5
57.15969	0.4
60.79868	0.4
66.71051	0.4
67.05503	1.1
69.07060	0.6
70.63339	1.0
71.08633	0.5
77.00887	0.6
79.05479	0.8
81.07054	0.8
88.28824	0.3
91.05470	1.0
93.07040	0.8
95.01962	0.4
95.08591	0.6
98.98474	16.4
100.98895	1.3
104.60978	0.4
105.07034	0.9
107.08603	0.4
107.59418	0.4
109.10131	0.6
114.27245	0.3
119.08568	0.9
121.10094	0.4
133.10139	0.6
137.05962	0.4
149.02353	1.4
150.10909	0.3
167.07036	0.4
173.13272	0.5
176.98947	2.5
190.86682	0.4
193.04922	2.2
195.09926	0.9
213.09818	0.5
215.11263	0.4
231.10918	0.8
243.12701	1.6
261.13928	0.7
262.10892	0.8
269.00284	0.4
269.10553	0.7
271.14481	0.6
287.11575	3.2
292.12201	0.5
292.15570	0.4
300.66623	0.4
302.24075	1.5
309.66919	0.5
310.13354	0.8
315.18192	0.8
333.16959	4.7
333.20374	100.0
333.26456	2.7
333.76096	1.3
334.20670	1.3
347.88730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30107	0.4
55.05462	1.4
55.95713	0.5
56.96515	32.2
56.96824	2.7
57.03396	1.2
59.25838	0.4
67.05506	6.1
69.07005	1.6
71.51643	0.8
71.95271	5.9
72.95984	1.7
74.97558	1.8
78.89619	0.4
79.05492	4.3
81.07057	4.6
83.08580	0.7
84.96043	2.9
91.05499	2.6
93.07040	2.8
95.08607	3.9
97.96782	3.6
97.99168	0.5
98.97618	2.0
98.98473	5.3
105.00116	1.1
105.06998	1.0
107.08535	1.9
107.66876	0.6
109.10120	1.3
110.97569	18.3
111.04408	0.6
112.99067	1.1
115.97779	1.8
116.98515	0.7
117.07014	0.5
119.01704	0.9
119.08551	0.9
121.10075	1.2
123.01186	1.1
123.11732	0.5
124.99118	0.9
128.98610	20.0
129.05397	1.4
130.99889	0.4
131.08591	0.6
133.10075	1.0
135.11635	1.3
137.02687	1.6
137.09743	0.4
141.02170	0.5
143.00183	3.0
143.03767	0.5
145.10149	0.5
146.99655	9.1
147.11691	0.6
151.00580	0.8
151.04243	0.5
152.00191	2.4
153.02246	0.7
154.99890	0.4
155.03737	0.7
157.01639	0.6
159.11629	0.6
161.01219	2.4
161.04701	0.8
165.00655	0.7
165.05815	0.5
167.03784	0.5
169.01682	0.8
170.01189	0.6
171.03293	2.4
173.13104	0.5
175.02731	1.4
176.98857	1.1
179.05580	0.5
181.05246	0.6
183.03362	0.6
185.04814	1.5
188.92462	0.6
189.00565	0.6
189.04314	1.9
190.05173	0.6
191.03821	0.4
193.03716	0.5
197.04823	0.7
199.06403	0.7
203.05965	2.2
205.07462	0.5
208.06625	0.5
213.08026	0.7
217.07394	0.9
225.07942	1.1
226.08862	0.9
227.09538	0.8
239.09412	0.5
241.11107	1.9
243.09013	0.9
245.08615	0.9
245.10687	1.1
259.12109	1.1
263.09561	5.2
264.10406	0.6
265.11130	1.0
270.11670	0.6
277.11118	1.5
281.10498	0.8
285.11621	0.6
286.11496	0.5
289.11169	0.8
291.12900	0.5
300.66336	1.3
301.16858	0.5
303.12811	3.1
309.66739	0.6
312.17084	0.7
313.14688	1.8
315.16306	75.9
316.16605	0.7
321.13782	0.7
331.15710	3.5
333.17358	100.0
333.24188	5.5
334.17618	1.6
351.18445	15.0
356.19003	26.4
357.19330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01876	9.9
55.05516	12.9
56.05023	4.6
57.03436	3.5
57.07080	3.1
59.04994	2.9
61.02930	2.0
61.91630	1.6
67.05510	22.8
69.03157	2.1
69.03436	23.5
69.07059	2.7
69.41795	11.2
69.97583	1.9
70.06588	16.4
71.04992	4.9
71.06917	1.6
72.08153	18.3
73.02917	2.4
74.06081	5.8
75.04473	2.8
79.05495	18.7
81.03403	3.8
81.06591	2.7
81.07051	33.8
83.08608	10.2
84.04498	7.3
84.08138	11.6
85.02904	11.4
86.09702	28.1
87.04466	25.9
87.10033	2.7
91.05478	5.9
93.07044	5.7
95.04955	4.0
95.08607	69.2
97.02890	24.7
97.06532	100.0
98.97610	2.1
98.98466	11.5
99.04490	2.2
101.05989	5.3
101.07158	4.3
103.05465	2.0
105.07030	5.1
110.07153	8.0
111.04427	8.7
111.08096	11.8
116.07110	2.7
120.08085	6.4
123.08073	46.5
125.02338	2.4
127.03868	2.6
129.05478	26.3
129.10219	5.5
132.10182	5.5
137.05969	14.8
139.08633	1.8
141.09102	65.2
141.10216	3.1
147.06511	23.3
149.05984	1.8
156.07669	2.7
165.06949	2.5
167.07043	15.6
168.31808	1.6
171.13763	2.3
173.12871	3.7
174.13162	5.0
175.06070	17.2
183.08044	3.4
187.14493	1.9
193.07083	9.3
201.09160	3.0
201.12312	2.4
202.12692	5.6
211.07584	3.3
229.08508	3.9
276.25363	1.6
278.10443	1.9
288.10364	1.8
294.99445	2.1
315.14505	3.0
315.29086	2.2
333.09155	7.5
333.14664	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1334
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
51.46455	0.5
52.88063	0.5
55.01880	0.5
55.05513	1.0
56.96563	3.0
60.46702	0.4
60.70385	0.5
61.02933	0.7
65.39360	0.5
66.04723	1.0
67.05505	1.1
69.03424	0.9
69.07066	0.7
70.06595	6.2
70.64080	1.1
70.64414	1.1
71.04999	0.5
72.08159	2.1
78.04716	2.1
79.05505	2.1
81.03428	1.1
81.07066	2.1
83.04983	0.5
84.04509	1.4
84.08153	5.2
85.02901	0.8
86.09726	3.2
91.05481	3.2
93.03421	0.8
93.07026	1.2
94.04193	2.1
95.04980	1.6
95.08598	0.9
97.02921	1.3
98.97598	2.0
98.98467	6.1
103.05479	1.2
105.03396	1.2
105.07043	1.9
106.04189	1.8
107.05014	1.3
107.08582	0.8
109.02892	1.9
109.06516	0.7
109.10157	0.7
110.07137	1.1
110.97585	0.6
116.98620	0.9
117.07056	0.9
119.04942	1.3
119.08575	1.0
119.27979	0.6
120.08115	1.9
121.06506	1.4
122.03642	7.2
123.04446	6.7
124.05217	2.0
129.06995	1.1
129.10239	1.8
130.05005	0.9
131.04901	1.6
133.02856	0.7
133.06522	0.6
133.10196	0.8
134.03665	0.9
135.04390	0.9
137.05983	93.1
138.06287	0.8
141.07016	1.0
143.08562	0.7
144.03749	0.5
145.02817	0.7
145.06456	1.3
145.10088	0.7
147.04420	2.0
149.06006	1.4
151.03920	2.3
151.07574	1.9
152.04668	1.7
153.05511	1.1
153.06940	1.1
157.10042	0.6
159.08220	0.7
159.11674	0.7
161.05983	2.0
163.03934	0.9
163.07579	0.6
165.07014	1.5
167.07048	100.0
168.05833	1.0
168.07474	0.6
168.51753	0.6
175.14977	0.7
176.98949	0.5
177.05554	0.7
179.06970	0.9
181.06485	1.3
183.08078	2.1
185.05919	0.5
191.07068	1.3
193.06590	0.8
195.07884	0.7
197.06017	1.0
199.07576	1.1
199.14828	0.6
211.07652	2.8
212.08273	0.8
213.05565	0.9
214.05836	0.6
215.10611	0.6
223.03964	0.8
223.07584	0.7
225.05498	0.7
225.09180	0.6
227.07080	3.4
235.02957	0.7
237.09340	0.6
239.07094	1.2
243.10239	1.3
255.06564	1.7
271.09637	2.8
279.06967	0.6
283.09665	2.7
288.09961	19.7
301.10684	1.2
303.12228	5.2
309.58368	0.6
315.12213	1.8
315.19556	0.6
329.33881	0.5
331.32516	0.5
333.20468	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1335
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.05517	1.7
56.05014	1.0
56.96568	2.2
66.04747	0.8
66.34294	0.8
67.05500	2.1
69.03441	1.7
69.07080	1.7
69.67038	4.0
70.06599	8.9
71.04981	0.8
72.08165	3.1
78.04716	2.4
79.05503	2.8
81.03416	1.1
81.07061	2.3
83.08633	0.7
84.04498	1.7
84.08154	7.2
85.02914	2.8
86.09704	4.4
89.03972	0.7
91.05470	3.4
92.39678	0.8
93.07047	2.5
93.07582	0.7
94.04208	2.1
95.04978	1.9
95.08640	1.0
97.02895	0.8
97.06498	0.8
98.97594	1.8
98.98470	9.3
103.05454	1.5
104.81776	0.7
105.07023	2.7
106.04211	1.5
107.04989	1.9
110.07172	2.0
111.08154	0.9
116.98665	0.7
119.04947	1.5
119.08611	1.3
120.08147	1.3
121.06503	3.4
122.03651	8.6
123.04425	6.7
123.05287	1.0
124.05216	2.4
129.06949	1.0
129.10234	3.6
130.06517	1.4
131.04936	2.1
133.06427	0.8
133.10147	0.7
135.04411	1.0
135.08066	1.1
137.05980	99.1
138.06369	1.2
145.06500	1.4
147.04407	2.3
147.11595	0.9
149.05957	1.9
151.03923	2.2
151.07555	1.5
152.04669	2.2
153.05453	2.0
155.08586	1.1
161.05989	1.9
163.03827	1.2
165.07033	2.2
167.07039	100.0
168.05716	1.1
168.07327	0.8
176.98883	1.4
177.05440	1.1
181.06384	1.8
181.08559	2.1
183.08058	3.0
187.07495	1.0
197.06035	1.2
198.06792	1.5
199.07530	1.1
205.24033	0.9
209.05911	1.4
211.07463	3.1
213.09056	1.0
215.10612	1.0
227.07018	3.4
235.02815	0.9
239.07060	1.3
240.07739	0.9
241.08546	1.7
243.10228	2.8
245.08220	0.9
255.06491	2.6
255.10179	1.5
269.08478	1.1
271.09601	2.3
272.66159	0.8
273.11310	1.3
283.09604	2.6
288.09924	28.0
301.10782	1.9
303.12299	6.3
315.12189	2.1
333.12778	2.4
333.22311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1334
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
50.30632	0.7
50.71882	0.9
53.03952	1.2
55.01868	1.0
56.96595	0.8
61.85198	0.6
67.05509	1.3
70.06598	1.6
70.09273	1.4
70.09662	1.3
71.04987	0.9
78.04714	1.9
78.44371	0.7
79.05502	2.2
81.07064	2.1
83.05017	0.9
91.05475	4.4
93.07083	1.9
94.04205	2.1
95.04955	1.2
95.08613	1.2
98.98471	8.9
99.04456	1.4
100.98907	0.9
103.05489	0.8
105.03391	0.8
105.07010	1.8
106.04215	1.7
107.04954	0.9
107.08615	1.2
114.93187	0.7
119.04983	1.1
119.08605	1.3
121.06527	3.2
122.03636	8.3
123.04446	7.0
124.05241	2.3
131.04959	1.6
133.02861	1.4
133.10144	1.1
137.05989	92.9
147.04373	1.8
147.11723	0.9
149.06036	1.9
151.03874	2.2
151.07510	2.2
152.04720	2.0
152.06332	1.1
153.05508	1.6
153.07021	2.3
155.08569	1.4
157.10228	0.8
161.05991	1.7
165.05333	0.7
165.07016	2.9
167.07051	100.0
168.05742	0.9
169.06496	0.8
175.07582	0.7
176.98929	1.1
181.06538	2.7
181.08589	1.2
183.08078	2.7
185.05998	1.4
193.06418	0.9
193.08614	1.2
196.05211	0.9
197.05980	1.0
199.07550	1.1
203.07111	0.8
207.04448	0.8
211.07596	3.7
212.08217	0.9
213.05629	1.2
213.09178	0.9
223.07584	1.4
225.09193	1.0
226.06282	0.8
227.07079	4.2
228.07770	1.1
239.06841	1.6
241.08714	1.1
243.10155	2.1
245.08020	0.8
255.06599	2.2
255.10211	1.1
269.08063	0.8
271.09595	3.4
273.11295	1.3
283.09598	2.8
288.09943	33.1
301.10742	3.5
303.12299	6.7
315.04568	0.9
315.12106	1.6
315.19458	0.8
333.09146	1.9
333.13086	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.097
Annotation	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.22751	0.4
55.01879	0.7
65.03943	4.0
68.99789	1.7
69.03436	0.8
70.76036	0.7
72.94746	0.5
79.05489	1.8
81.07059	1.3
89.91930	0.4
91.05480	6.0
93.03403	6.5
94.04197	1.1
95.01321	2.0
95.04949	1.0
96.19788	0.4
97.02886	7.9
98.98464	0.7
103.05479	0.7
107.04971	2.4
109.06523	2.4
110.03654	2.1
111.04450	4.8
112.01616	0.7
115.05361	0.4
119.04948	3.4
121.02857	5.3
121.06515	6.6
122.03641	1.3
123.00813	0.6
125.02346	5.3
125.06001	7.6
127.00288	0.7
127.03886	0.8
131.04916	1.0
134.03642	5.1
135.04417	1.6
137.05981	29.2
138.03143	1.4
139.03909	1.2
140.01085	0.5
142.02644	0.6
143.03337	0.6
149.02344	35.3
149.05974	9.4
150.06807	2.5
151.03903	2.2
151.07552	0.6
153.05453	10.8
155.03378	4.0
157.04971	14.8
157.06308	0.7
160.05260	0.5
161.05969	1.5
166.02621	1.4
166.30165	0.5
167.07144	0.5
168.00539	8.8
168.01830	0.8
169.01385	0.7
169.05020	0.6
170.02094	1.2
171.04407	0.6
171.08061	1.1
175.07500	1.1
177.05450	4.4
179.03455	0.7
181.04959	29.2
183.02892	13.6
184.05138	0.8
185.04463	1.5
185.05966	1.3
186.01581	2.0
189.05470	0.7
194.02133	5.1
195.02840	0.5
195.04420	0.6
199.04056	0.5
199.07526	1.0
203.07040	2.4
205.08635	1.3
209.04443	15.1
212.04706	0.9
213.05458	1.9
219.60692	0.4
223.03806	0.5
227.07076	2.0
229.04962	1.0
231.06548	2.6
240.04105	0.9
241.04845	0.9
245.08128	4.2
254.05692	0.6
255.06557	6.1
257.04498	1.3
259.09625	1.2
271.06061	0.7
272.06604	0.8
273.07571	2.9
282.05252	1.2
283.06085	3.5
285.04001	1.2
287.05786	0.5
287.09094	1.3
299.05533	4.0
300.06259	9.4
305.10245	6.0
315.08627	22.7
333.09680	100.0
334.10083	1.6
343.59613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01865	1.1
63.60340	0.4
65.03938	3.5
68.99793	1.9
69.03426	1.6
69.77136	2.3
76.96600	0.5
79.05502	1.4
81.03404	0.9
81.07053	1.7
85.02917	0.8
86.09686	0.7
91.05489	6.6
93.03403	5.6
94.04196	1.4
95.01318	2.1
95.04951	1.0
97.02898	6.0
98.98482	1.6
99.60257	0.5
103.05442	0.7
105.06969	0.6
107.04950	1.7
109.02857	1.4
109.06553	1.5
110.03671	1.4
111.04458	4.0
112.01588	0.9
119.04971	3.4
121.02879	6.4
121.06509	6.4
122.03656	1.4
123.00778	0.9
125.02365	5.1
125.05997	6.3
127.03880	1.6
131.04959	1.2
134.03641	4.6
135.04430	1.6
137.02443	0.7
137.05983	32.3
138.03105	1.4
139.03998	0.6
143.03328	0.7
144.05804	0.7
145.06459	0.6
147.04391	0.7
149.02348	31.1
149.05983	9.2
150.06766	2.6
151.03900	1.9
151.07536	1.2
153.05469	10.4
153.06735	0.7
155.03375	3.6
157.03741	1.0
157.04977	14.5
157.06310	0.8
161.06009	1.8
166.02657	1.7
167.03333	0.5
167.07053	8.1
168.00545	8.3
169.01324	0.8
169.04971	0.6
170.02132	1.5
175.07585	0.6
176.98914	0.5
177.05487	3.7
179.03378	0.7
181.04967	29.2
183.02902	13.4
183.08151	0.6
184.05188	1.0
185.04459	1.5
185.06036	1.8
186.01649	2.8
187.07495	0.6
194.02086	5.1
195.02798	0.6
199.07564	1.1
201.05585	0.9
202.06194	0.7
203.07091	1.3
205.08745	0.7
209.04453	13.8
212.04675	0.8
213.05524	2.1
227.07033	2.7
229.04846	0.6
231.06541	2.3
240.04094	1.0
241.05046	1.5
245.08069	3.4
255.06552	6.2
257.04379	1.2
259.09781	0.6
269.04407	0.6
272.06665	0.8
273.07617	2.1
282.05173	1.2
283.06012	4.4
285.04059	1.2
287.09268	0.6
288.09995	2.3
299.05557	4.1
300.06314	8.4
305.10229	6.1
315.08624	23.9
333.09695	100.0
334.09995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0967
Annotation	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
Peak:m/z	Relative Intensity
55.01872	1.5
55.05523	0.7
65.03942	4.2
67.05506	1.8
68.99780	2.5
69.03412	1.6
69.07059	1.2
69.84445	3.3
76.74876	0.6
78.04694	0.9
79.05484	3.0
81.03412	0.7
81.07049	2.3
85.02856	0.6
91.05470	8.3
93.03409	5.4
93.07024	1.8
94.04168	1.6
95.01324	2.0
95.04970	1.5
95.08613	1.7
97.02892	7.8
97.06527	1.5
98.98468	8.2
100.98885	0.8
103.05478	0.6
105.03362	0.9
105.07021	2.5
107.04923	2.3
107.08575	1.2
109.02886	0.9
109.06519	2.1
109.10158	1.1
110.03660	1.0
111.04465	5.8
115.05453	1.2
119.04938	3.7
119.08596	1.1
119.40234	0.7
121.02863	4.9
121.06508	8.0
122.03653	3.5
123.04422	3.4
125.02341	5.0
125.06001	8.4
127.00270	0.9
127.03925	1.6
129.07068	0.9
131.04909	0.9
131.08629	1.1
133.06458	0.8
133.10085	0.9
134.03625	4.5
135.04391	2.0
137.05986	51.9
138.03133	1.2
139.03920	1.9
139.05507	0.8
141.01880	1.0
143.03426	1.1
143.08574	0.8
145.06454	1.3
145.10085	0.8
149.02345	33.4
149.05983	8.5
150.06766	2.0
151.03912	3.0
151.07550	1.4
153.05482	14.2
153.06816	1.2
155.03439	3.1
157.04991	16.6
157.06293	0.9
157.10121	1.6
161.05994	1.5
163.03903	0.7
163.07550	0.8
165.07025	1.0
166.02664	1.5
167.07056	30.2
168.00591	6.9
169.01373	1.1
169.04895	0.8
170.02116	1.3
171.11671	1.1
175.07600	1.1
176.98921	1.0
177.05510	3.8
179.07050	0.7
181.04971	30.0
181.06433	1.4
181.08537	2.3
183.02895	13.3
183.08052	1.2
185.04529	1.4
185.06000	1.1
185.13196	0.8
186.01630	3.2
189.05444	0.8
193.08649	2.2
194.02121	6.2
197.06030	1.0
199.03789	0.9
199.07570	1.5
199.16637	0.7
202.06248	0.8
203.07011	2.5
205.08604	0.8
209.02608	1.1
209.04456	14.5
209.06055	0.9
211.07491	1.4
212.04701	1.6
213.05469	2.6
213.09126	0.8
227.06993	3.9
227.18018	4.6
229.04994	0.9
231.06514	2.4
241.04897	1.3
241.08572	1.0
243.10207	0.9
245.08051	3.8
255.06506	7.8
257.04352	1.1
268.17593	0.7
269.07950	0.8
271.05978	1.2
273.07492	2.4
273.11246	1.2
273.18295	1.1
282.05414	1.0
283.06183	4.5
283.09097	0.9
285.04010	1.4
287.05725	0.8
287.08960	1.2
287.20059	5.1
288.09918	10.5
299.05536	3.0
300.06226	7.7
301.07306	0.9
301.10760	2.3
303.12271	2.3
305.10278	7.3
315.08643	26.4
315.12305	1.6
327.34094	0.8
333.09674	100.0
334.09949	1.4
349.17661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.4
57.90009	0.4
60.04528	20.0
65.47681	0.4
69.03432	0.7
69.07066	0.9
69.48843	2.7
70.02960	1.7
70.06596	1.5
72.04517	0.6
72.08148	0.6
84.08154	1.0
86.09709	81.2
86.73518	0.4
87.05593	14.1
98.97608	0.6
98.98467	1.6
110.09673	0.4
112.11235	0.7
117.06625	0.5
120.08090	0.5
121.06501	0.5
127.03904	0.8
128.10724	9.2
132.10210	6.1
135.04414	0.4
162.06786	1.1
173.12866	100.0
175.08731	1.2
188.12329	0.4
201.12349	35.8
219.13368	0.8
245.18629	2.5
260.07550	0.4
332.11917	0.7
332.21808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05513	4.3
56.05037	10.3
57.03428	1.3
58.06610	4.6
61.66782	0.6
69.03415	0.8
69.07080	4.7
69.88757	2.7
70.06599	13.4
72.08158	48.9
73.04034	2.4
74.06082	37.5
81.07075	0.8
84.04507	12.2
84.08144	4.1
84.08578	0.6
85.02932	1.2
86.09710	56.2
88.03958	0.8
91.05469	1.3
93.77515	0.7
95.08616	0.8
96.08152	0.8
98.09695	0.8
98.98476	5.1
101.07148	24.7
102.05530	1.7
104.07137	0.7
107.05001	1.1
108.08098	1.3
110.07135	0.8
110.09685	4.4
112.07612	1.6
112.08720	0.7
112.11237	2.6
116.07065	1.5
118.08657	3.2
120.08099	1.6
123.04369	0.7
128.10725	14.2
129.10249	7.5
130.08649	0.8
132.10194	2.4
135.04446	1.5
137.05968	2.0
138.30678	0.8
141.10240	2.2
142.12321	4.4
143.11806	6.1
144.06535	2.9
151.07521	1.2
152.07156	0.8
152.10718	1.3
155.11784	2.7
156.10187	1.0
159.34404	0.7
162.07697	6.2
169.09747	1.0
170.02815	0.8
171.11261	0.8
173.12865	100.0
177.05319	0.8
183.11320	0.9
187.14424	25.7
197.12923	1.1
201.12352	48.0
215.13913	21.5
219.13385	10.7
229.12012	1.6
231.17035	2.8
240.10355	0.8
252.10332	0.7
261.12650	0.7
268.09698	1.0
269.56088	0.8
285.10052	2.2
300.12207	3.2
312.96786	0.7
314.20679	1.5
332.21719	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05513	3.7
56.05047	3.6
57.03438	1.0
57.07079	1.1
59.47879	0.6
60.04528	100.0
64.77119	0.6
67.05506	12.8
68.05040	0.9
69.07076	4.4
69.96379	2.9
70.06603	1.6
71.05006	0.9
72.04516	2.3
74.06100	2.5
79.05491	5.5
80.05021	1.3
80.73478	0.6
81.07059	10.3
82.06595	1.8
83.08625	1.9
86.06082	1.1
86.09710	0.9
90.05570	1.6
91.05486	5.4
93.07052	6.4
94.06576	1.2
95.04989	1.2
95.08614	10.3
96.08143	1.7
97.06519	0.9
97.10182	0.8
98.21384	0.9
98.98473	10.9
105.07051	2.4
106.06450	0.6
107.08573	3.4
109.10181	4.1
111.08096	0.8
117.07056	1.2
119.08604	2.5
121.06567	1.2
121.10136	3.2
122.06763	0.8
123.11733	1.7
131.08604	1.2
133.10136	1.7
135.11722	1.6
137.05969	2.7
137.13219	1.1
145.10092	0.8
147.11714	0.8
148.94379	0.7
149.13240	1.2
161.13298	0.9
164.07034	0.6
167.07056	2.1
176.98967	0.7
181.74214	0.6
231.21259	0.7
240.07077	0.7
248.23747	1.0
256.84808	0.7
260.23837	1.9
266.24844	0.8
268.13562	0.7
278.24811	6.8
288.10001	1.1
296.25873	13.0
314.07233	0.7
314.26913	16.5
317.09415	1.0
332.08145	4.7
332.12119	6.7
332.27960	87.8
333.28027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03951	1.2
55.05501	0.8
56.96568	0.8
57.03429	1.1
58.06593	0.6
61.02927	2.7
62.69944	0.6
65.03955	0.9
67.05515	3.1
69.03439	5.4
69.73664	0.6
69.77435	1.6
69.77831	1.3
70.06593	0.8
72.08167	4.6
73.02935	1.9
79.05507	1.0
81.03427	1.9
81.07082	0.7
82.06612	0.9
84.08144	2.3
85.02914	7.3
86.09711	4.0
87.04475	1.5
91.05473	0.7
95.69746	0.7
97.02891	4.1
98.21507	0.9
98.97599	1.1
101.02377	1.0
102.41010	0.6
104.10756	1.4
104.48911	0.6
106.06564	4.9
108.08124	100.0
109.02868	0.9
115.08424	0.6
116.07140	0.7
123.06822	4.4
124.07605	13.9
127.03914	0.9
129.10294	1.3
132.10300	0.8
134.06024	11.1
136.07597	14.5
137.05997	1.0
138.06389	0.8
142.49956	0.7
152.07074	71.3
153.05482	1.1
153.22610	0.6
154.08669	1.7
163.03897	0.9
170.08139	7.8
177.00893	0.7
199.14482	1.1
201.00890	0.8
203.02635	0.8
211.05492	0.6
219.02042	3.7
241.21532	0.7
290.16351	1.0
314.09476	1.8
314.12375	36.6
332.13440	66.4
340.62628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.01871	0.4
55.05493	1.7
56.05027	0.7
60.04527	20.5
67.05495	0.8
69.03426	1.0
69.07071	6.7
69.37700	2.8
70.02966	0.9
70.06602	2.2
71.05011	0.4
72.08150	0.9
73.17274	0.4
79.05485	0.7
81.03425	0.5
81.07051	0.5
83.08622	1.6
84.08142	0.6
84.08958	1.0
85.02901	0.7
85.06538	1.1
86.09708	86.6
87.05594	11.8
87.10085	0.4
91.05488	1.9
93.07019	0.5
95.04981	0.4
97.02934	0.4
98.20760	0.5
98.98469	1.6
100.11281	0.6
102.04686	1.0
105.06625	1.8
107.04964	1.1
108.08111	0.6
109.06538	0.6
109.10123	0.5
110.09705	0.5
110.10517	0.7
111.04456	1.0
111.08103	1.0
112.08385	0.7
114.09203	0.5
119.04936	1.1
120.08096	0.4
121.06558	0.7
122.02746	0.5
123.04477	0.6
124.12064	0.7
126.09225	0.4
128.10719	13.3
129.05539	0.4
130.04150	3.6
131.08659	0.4
132.10202	5.7
133.06485	1.6
135.04391	1.2
137.05981	3.0
146.03650	1.6
146.11740	0.5
147.04407	5.7
149.05981	1.3
150.06738	2.1
151.11182	0.4
155.11754	0.4
156.10326	0.6
161.05984	9.5
162.06764	17.4
169.12241	4.0
170.12596	6.5
173.12863	100.0
174.13237	0.5
177.05516	0.6
180.98038	0.4
191.07019	0.5
197.45288	0.4
201.12349	33.6
211.13269	0.9
219.13385	3.9
237.09285	0.4
245.18608	1.2
265.08566	0.9
285.11237	2.0
285.53436	0.4
292.28891	0.4
297.11221	11.3
315.12213	4.2
332.14392	2.6
332.21924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08378	1.4
54.74169	1.5
55.05513	11.1
56.68062	1.4
57.03429	6.2
57.07079	100.0
67.05504	22.3
69.07069	19.7
69.91568	7.7
70.06601	8.1
71.06918	2.5
71.08635	69.8
75.04470	3.3
79.05498	2.6
81.07060	34.9
83.08620	25.5
85.10188	36.5
88.04328	1.4
88.07643	10.7
88.55562	1.4
89.06019	2.6
89.07954	2.4
91.05457	1.4
93.07022	2.0
95.08003	2.4
95.08611	57.6
97.10167	11.4
98.98470	98.5
99.11749	3.3
100.98905	3.3
102.09139	2.3
106.08644	4.8
109.10159	23.0
111.11739	3.6
113.13259	1.8
123.11720	14.6
125.13277	2.3
137.13249	6.7
139.14758	2.4
151.14825	3.5
168.00635	2.7
174.99248	2.8
176.98956	7.7
179.08972	2.3
214.06290	2.1
214.45403	1.5
221.22600	2.5
239.23712	30.7
252.99805	1.6
257.24832	7.3
313.27374	81.5
313.32947	5.8
316.05875	2.4
331.08002	11.5
331.17273	2.0
331.34003	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2633
Annotation	7,10,13,16,19-Docosapentaenoic acid
Peak:m/z	Relative Intensity
55.05506	8.7
59.04997	3.0
67.05515	15.0
69.07060	9.4
71.05003	5.0
71.53899	3.4
79.05499	10.7
81.07065	31.4
83.04970	2.4
83.08620	9.0
85.06535	7.3
91.05475	12.8
93.07051	27.6
95.04962	2.6
95.08620	32.1
97.06528	4.1
97.10159	4.0
98.98479	100.0
101.56144	1.8
105.07042	25.7
107.08596	29.5
109.06518	4.7
109.10165	20.4
111.08097	13.1
113.09639	2.8
117.07015	3.4
119.07927	2.3
119.08617	22.3
121.10145	18.5
123.08060	6.6
123.11739	4.3
125.09608	4.6
127.03912	2.2
127.11139	2.6
131.08594	10.5
133.10127	11.0
135.11745	14.0
137.09607	7.4
143.08592	3.3
145.10161	18.8
146.10950	2.5
147.11691	16.2
147.94264	1.9
149.09581	4.0
149.13263	9.1
150.05531	2.2
151.07498	2.0
151.11192	6.6
157.10115	4.3
159.11713	13.0
161.13274	16.0
163.14841	5.4
164.30949	1.8
165.12796	3.5
168.00511	4.2
171.11694	2.7
173.13261	6.3
174.99182	5.2
175.14801	6.5
176.98854	11.2
178.08574	2.2
181.12207	3.6
183.11728	2.0
185.13289	3.6
187.14783	12.9
189.16354	5.3
199.14799	4.7
201.16380	2.8
203.14526	2.2
205.15904	2.8
213.16322	4.0
215.18034	12.6
217.19615	2.6
227.17975	7.0
229.19377	2.3
239.18022	2.5
241.19531	6.1
245.18971	3.8
259.20639	2.3
269.22867	2.3
278.06216	2.2
295.24149	5.9
313.25226	16.7
316.05829	4.5
331.08167	18.7
331.17297	2.3
331.26279	33.2
331.33646	2.1
339.14725	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36509	1.1
50.95005	1.1
52.08710	1.1
55.05507	6.9
56.96558	2.0
57.03440	4.5
57.07082	76.0
66.15948	1.2
67.05505	18.9
69.07076	13.5
69.39982	1.2
69.90836	5.4
70.06586	4.2
71.08641	54.7
72.51456	1.2
75.04472	2.5
79.05495	2.6
81.07069	27.9
83.08629	18.7
85.10192	26.8
88.07638	8.2
89.06062	1.4
89.07961	1.3
91.05491	3.0
93.07051	3.6
95.08617	41.7
97.09742	1.2
97.10195	11.3
98.98478	100.0
99.11758	2.0
100.98912	3.0
102.09183	2.6
103.07600	1.9
105.07066	1.5
106.08672	3.9
109.10175	19.7
111.11738	3.0
116.99466	2.2
119.08624	1.6
123.11739	12.0
125.13329	2.0
131.08534	1.3
137.13231	5.9
138.96582	1.4
151.14819	2.3
168.00516	2.7
174.99260	4.6
175.37453	1.3
176.98938	10.2
185.13297	1.1
193.85690	1.3
221.22635	1.8
239.23735	24.2
257.24930	7.1
313.27417	61.7
313.33090	4.1
316.05826	3.5
331.08142	12.5
331.19147	3.1
331.22656	2.7
331.26111	2.6
331.34027	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2245
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
56.19178	0.3
65.62684	0.4
66.88249	0.4
69.07065	0.5
70.17664	0.4
71.16903	0.8
73.97076	0.4
79.05511	0.5
81.07045	0.5
84.39339	0.5
93.07080	0.6
95.86280	0.5
98.21149	0.6
98.98476	17.1
100.98839	0.4
117.56106	0.4
121.10148	0.7
132.79733	0.4
174.99251	1.1
176.98955	1.7
179.09009	0.8
273.01700	0.4
316.05811	0.7
331.08347	2.8
331.22461	100.0
332.22772	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24218	0.4
67.05518	0.4
70.34113	0.9
70.34439	1.0
72.25141	0.4
76.91666	0.4
78.31586	0.4
81.07057	0.5
91.05472	0.5
95.08613	0.7
98.98472	21.5
100.98898	0.6
106.31551	0.4
109.10153	0.6
116.99545	0.4
119.08589	0.5
133.10103	0.5
168.00575	1.1
174.99268	1.2
176.98909	2.1
178.08646	0.4
179.08980	0.5
298.04822	0.5
316.05911	0.5
331.08124	4.9
331.22446	100.0
332.22742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.248
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.03937	0.7
55.01167	0.4
55.01868	1.9
55.05516	5.2
56.96559	0.7
57.07083	0.7
60.04510	1.8
67.05507	6.9
68.99778	3.6
69.03425	0.9
69.07073	6.2
69.14674	0.4
69.81785	0.4
70.06621	0.5
70.07957	1.7
71.04985	1.6
72.08164	0.6
75.56851	0.4
79.05497	6.1
81.03415	0.8
81.07059	8.9
83.04987	1.9
83.08620	3.2
84.02106	0.7
85.06564	0.9
86.09727	0.6
88.12077	0.5
91.05476	2.9
93.07047	8.8
94.07412	0.5
95.04958	1.3
95.08617	7.5
97.06519	2.1
97.10172	4.1
98.98471	51.9
99.00835	2.3
99.95159	0.5
100.98874	1.2
103.05463	0.8
105.03396	0.6
105.07028	2.8
107.04977	0.9
107.08590	5.5
109.06521	0.6
109.10155	3.9
110.33551	0.4
111.08083	0.6
112.01591	2.1
116.99463	1.2
119.08586	2.7
121.06529	7.0
121.10157	6.4
122.06849	4.1
123.08061	4.2
123.11710	1.1
125.09647	3.3
127.00294	3.0
129.07033	0.7
129.33348	0.5
131.04939	12.2
131.08572	1.5
132.05678	1.0
133.02821	0.6
133.06531	0.6
133.10141	2.1
134.03659	1.1
135.04407	1.7
135.08083	0.6
135.11699	5.5
137.05988	0.6
137.09616	1.7
137.13277	1.0
139.00293	1.2
139.11211	2.8
140.01083	2.5
141.06987	0.6
145.10080	1.2
147.11726	1.2
148.05200	4.5
149.05986	1.8
149.13251	1.5
150.39558	0.4
151.07553	1.4
151.11250	0.6
152.04701	0.8
153.01878	0.8
153.05017	0.7
153.12755	3.2
154.02448	0.5
157.10118	0.9
159.04448	1.1
159.11728	1.3
161.09674	0.5
161.13286	1.0
163.11182	0.6
164.07103	1.8
165.07394	2.9
166.99808	1.6
167.07039	1.3
167.10689	0.6
168.00552	24.1
168.07375	0.6
171.11641	0.5
172.05174	0.6
173.13335	0.9
174.99246	2.3
175.03865	0.6
175.11261	0.5
175.14809	1.3
176.98933	4.9
177.12802	0.6
179.03497	0.7
181.06496	0.7
182.02161	0.6
183.02892	5.1
185.00832	4.4
185.13321	0.8
186.01595	17.8
189.11235	1.4
197.06001	0.6
200.04762	1.0
203.12805	0.9
211.07495	1.1
213.05569	0.6
214.06184	0.7
220.58598	0.5
225.05403	1.2
228.04323	0.6
229.05083	0.5
231.21170	0.8
241.05013	0.5
241.19543	1.4
242.05753	1.0
245.04454	1.5
249.22144	1.5
252.99753	1.0
254.99448	0.5
255.02849	0.5
259.20605	3.2
269.04453	1.4
270.05127	1.1
271.06009	1.8
273.03845	2.4
277.21640	12.8
283.02368	0.7
284.03226	1.9
287.05576	0.6
295.22711	12.9
298.04727	11.8
299.05408	1.0
301.03412	4.2
313.21475	0.6
314.26901	1.4
315.04987	1.0
316.05783	13.1
331.08142	100.0
331.11584	5.7
331.22711	3.5
332.08414	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39005	0.6
55.05511	3.5
55.85546	0.6
56.05048	3.1
56.96561	1.0
57.03439	0.7
57.07071	1.8
57.81871	0.6
60.04514	2.2
60.05647	1.8
61.02931	0.8
67.05518	1.3
69.03432	4.3
69.07076	1.9
69.69976	3.4
70.02932	1.2
70.06596	19.1
71.05008	1.3
71.06931	1.3
72.08159	34.8
73.02918	1.7
73.08472	1.3
74.06075	1.5
80.97343	0.7
81.03416	1.1
81.07043	0.7
83.06120	1.6
84.04507	44.5
84.08146	39.5
85.02907	8.0
85.08472	1.0
85.10154	0.6
86.09708	83.1
87.04485	1.2
87.05624	0.8
88.04002	1.9
89.07163	1.2
90.05533	0.9
91.05477	1.9
96.08134	0.8
97.02895	2.7
98.05437	0.6
98.06060	0.7
98.21446	0.9
98.97639	2.5
98.98468	70.9
99.04462	1.0
100.98894	1.7
101.00885	0.8
101.07145	9.1
101.10799	1.2
102.05548	2.7
107.04954	0.7
108.08118	9.4
109.02860	1.1
110.07159	2.9
112.08746	2.4
115.08717	4.6
116.07107	5.5
116.98693	0.8
116.99518	1.2
117.07422	0.9
118.08660	1.7
119.01929	1.0
119.04960	0.8
120.04498	1.2
122.06097	0.8
123.04427	1.7
124.07586	2.2
127.03952	0.9
127.08682	0.7
128.07014	0.8
129.06616	1.0
129.10245	32.0
130.05006	67.0
130.08658	3.4
130.47060	0.7
131.01930	1.5
132.04430	2.9
132.10188	0.9
133.06190	0.9
133.24854	0.7
134.06042	2.3
136.02170	10.7
136.06207	2.0
136.07565	2.5
137.05867	3.5
140.07098	3.1
140.08095	0.8
141.07414	1.9
143.01877	1.3
143.08171	2.7
143.11804	2.0
144.06546	2.4
147.07651	100.0
147.11237	3.4
148.03944	1.9
148.06052	1.5
149.00571	2.1
150.05505	1.2
150.94667	0.7
152.07027	6.6
154.08629	0.7
154.94244	0.9
156.07709	0.9
157.13367	31.5
158.99748	0.8
160.07721	0.9
161.02939	1.6
161.09262	3.2
161.12860	0.9
162.03699	0.9
162.05516	2.4
163.03983	1.1
163.06299	10.6
163.07574	1.3
164.01651	17.5
164.07077	14.8
167.07007	1.3
168.06503	5.1
168.95764	2.1
168.98042	1.1
169.06940	7.6
171.11307	1.4
173.03004	1.0
174.99229	3.8
175.04529	1.2
175.11908	2.0
176.98930	6.5
177.05470	0.7
180.10188	1.5
183.07701	0.7
185.12842	9.6
186.96776	3.8
186.99146	1.4
189.12364	5.3
196.04314	11.6
197.12823	2.4
197.16545	1.1
198.98506	1.8
200.10271	0.8
200.13907	3.3
203.13774	0.7
204.97801	1.9
205.03212	1.0
209.02667	1.2
209.06828	13.6
210.02205	15.3
210.05714	0.7
210.96762	0.8
211.15530	1.0
212.07106	0.7
214.13008	0.8
218.15012	1.0
222.05856	1.8
223.04227	1.1
224.04573	3.9
228.97878	2.5
232.13136	0.7
241.00072	0.8
242.04810	11.6
242.15054	1.9
242.18532	0.8
249.12302	3.6
251.03767	2.5
252.99696	1.0
260.16040	5.1
260.18604	0.7
268.06381	2.5
285.09012	3.0
299.05838	0.7
314.06924	10.1
314.12317	3.5
330.69473	0.8
331.00952	1.0
331.09650	12.8
331.16306	1.3
331.19846	8.2
331.23425	8.3
332.13397	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45653	0.6
56.96572	0.8
57.07080	0.6
63.59822	0.5
67.05496	0.8
69.07072	1.2
69.45107	0.5
70.01630	2.4
71.08639	0.6
81.07066	1.6
85.22337	0.5
85.93993	0.6
91.86171	0.5
93.07050	0.8
95.08616	1.2
98.98475	75.9
99.08125	0.5
100.98895	1.7
107.08586	0.9
107.40729	0.6
109.10194	0.7
114.73846	0.5
116.99541	0.7
127.03877	0.8
131.04932	0.7
140.01109	1.2
161.13487	0.5
166.90303	0.6
168.00571	1.7
174.99185	4.4
176.98943	6.8
178.08585	0.5
179.09059	1.4
185.00812	0.6
186.01617	1.4
245.04706	0.7
252.99829	1.6
298.04678	1.5
301.03772	1.0
316.05798	1.8
323.16388	0.6
331.08203	10.8
331.18811	100.0
331.26688	2.5
331.34146	1.8
332.19202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01876	9.7
55.05515	44.3
56.96284	0.6
57.03435	2.5
57.07075	2.4
59.04995	3.0
60.04548	0.7
61.02916	2.2
67.05507	7.6
68.02653	2.4
69.03431	13.7
69.07072	27.7
69.49360	3.7
70.06596	7.3
71.01340	1.6
71.04993	3.4
71.06934	0.8
72.08158	6.3
73.02918	2.4
73.06545	0.7
73.08492	1.3
74.98140	0.5
75.04482	0.6
79.05484	3.0
81.02988	0.9
81.03422	8.9
81.07057	5.1
83.01340	0.9
83.04988	6.0
83.08623	100.0
84.04534	0.6
84.08141	2.6
84.08932	0.7
85.02910	4.6
85.06552	8.5
86.09705	5.3
87.04459	1.4
87.08112	2.8
91.05494	4.4
93.07043	9.8
95.01340	1.4
95.04964	3.2
95.08603	4.5
97.02895	15.2
97.06518	3.0
98.20675	1.0
98.98473	35.5
99.04463	2.5
100.98909	0.9
101.02393	3.4
101.06036	4.0
103.05467	2.0
105.04520	0.9
105.07011	1.2
107.04932	0.7
107.08631	1.6
109.06529	2.0
109.10149	7.7
110.07212	0.7
111.04446	60.5
111.08084	36.2
113.06019	2.4
117.03423	0.6
117.07064	0.7
119.04984	0.6
120.08123	1.9
121.06519	4.0
121.10152	2.0
123.04468	0.7
123.08081	0.7
123.11713	6.9
125.02350	8.8
127.03921	2.3
129.05487	14.2
129.09135	6.5
129.10165	1.5
130.04126	0.7
133.06456	0.6
133.10211	0.8
137.05998	2.2
139.07549	9.2
139.11209	2.4
143.03326	0.7
145.05103	0.7
147.04442	1.1
149.06001	1.1
150.05463	0.7
150.06761	0.6
151.07564	0.7
151.11156	3.3
153.07030	0.7
157.04984	2.7
157.08606	21.2
161.06035	1.9
162.06802	2.3
165.05524	0.7
165.07033	1.0
169.12245	62.9
171.14928	0.7
172.15308	1.1
174.99240	1.6
175.09665	44.9
176.98975	3.6
177.05501	1.5
178.05913	0.7
179.07079	1.1
189.11259	2.3
193.06404	0.9
200.14789	1.0
210.06715	0.8
211.07623	1.0
226.08470	0.8
239.07103	0.8
244.17418	1.0
253.08641	1.5
253.10887	1.9
256.07361	0.7
271.09503	0.9
271.12054	0.9
282.07715	1.1
285.13449	6.0
297.11121	1.4
299.11594	0.9
303.14441	16.4
316.09259	0.7
331.14496	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	331.1752
Annotation	Picrocrocin
Peak:m/z	Relative Intensity
53.03945	1.8
55.01875	5.3
55.05512	21.7
56.77921	0.5
56.84852	0.4
57.03423	1.5
57.07064	2.1
59.04993	1.1
61.02920	0.6
63.19035	0.5
65.94733	0.5
67.05507	5.6
68.02634	1.3
68.48100	0.4
69.03430	11.1
69.07071	13.8
69.39944	1.2
69.40347	2.3
70.06599	2.8
71.04990	4.9
72.08144	1.5
73.02907	1.6
79.05482	2.2
81.03426	5.1
81.07063	6.9
83.04986	4.1
83.08624	48.0
84.08140	1.3
85.02914	6.1
85.06548	13.6
86.09694	1.8
87.04462	0.8
87.08102	1.2
91.05491	2.5
93.07050	5.6
95.04954	2.4
95.08617	3.0
97.02892	7.8
97.06512	2.0
98.98476	11.9
99.04454	1.0
101.02362	1.1
101.06023	2.8
103.05461	0.7
105.07023	0.7
107.08584	1.7
109.06557	2.6
109.10158	11.6
111.04448	31.5
111.08086	15.4
113.06007	3.7
117.88225	0.5
121.06511	1.9
121.10168	3.5
123.08066	1.9
123.11722	12.7
125.02371	4.5
125.09618	0.8
127.03918	1.4
129.05479	7.1
129.09102	3.4
133.10112	0.9
139.03879	0.7
139.07552	3.9
139.11177	4.3
145.04953	1.1
147.04355	0.5
148.98674	0.5
151.11198	6.6
157.04994	1.7
157.08600	13.2
157.09836	0.9
161.05916	0.5
162.06801	0.9
169.12244	100.0
170.12532	0.8
174.99184	0.5
175.09669	19.5
176.09930	0.5
176.98994	0.9
185.09236	0.5
189.11205	0.9
190.64636	0.4
194.01578	0.5
207.93776	0.5
225.09293	0.6
253.10783	0.9
271.11740	0.5
285.13345	2.8
303.14352	8.3
331.14160	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	331.0814
Annotation	Morelosin
Peak:m/z	Relative Intensity
53.00306	0.8
55.01868	1.0
65.03934	0.9
67.05486	0.7
68.99776	2.6
70.43159	0.5
70.55917	1.6
72.92796	0.5
75.22827	0.5
79.05501	0.8
81.03378	0.7
81.07038	1.5
85.92801	0.5
91.05475	4.4
93.03385	1.0
93.07065	0.5
94.04158	0.8
95.01361	1.2
95.04919	0.7
95.08586	0.8
97.02892	5.5
98.98470	36.0
100.98869	0.8
107.04943	1.3
109.06518	1.4
111.04433	0.7
119.04935	3.6
121.02876	3.2
121.06517	5.7
122.03645	0.8
123.00727	1.4
125.01492	1.1
125.02370	21.7
125.05960	1.3
127.03892	0.7
130.81747	0.6
131.04951	1.5
133.06494	0.7
134.03642	2.5
135.04422	1.2
137.02376	0.6
137.05986	17.0
140.01080	0.8
143.03482	0.8
149.02351	42.3
149.05963	6.6
150.06772	4.2
151.03937	3.9
151.07547	1.2
153.01840	5.4
153.05464	1.7
154.02614	0.6
155.03404	22.2
161.06000	1.4
167.03484	0.9
167.04903	1.1
168.00490	1.1
171.08041	1.0
173.06154	0.7
174.99222	2.0
175.83383	0.6
176.98941	3.5
177.05498	2.2
179.03406	43.0
181.01332	23.2
183.02913	2.1
184.05249	1.4
185.06015	0.7
189.05376	0.7
199.07542	0.9
203.07031	1.4
207.02924	12.3
212.04744	1.3
213.05476	1.4
223.03940	0.9
227.07072	3.2
231.06453	1.6
240.04059	0.8
241.04936	1.7
245.08139	1.8
253.04956	1.4
255.06529	4.8
267.06760	0.6
268.59973	0.7
270.05273	1.8
273.07571	2.1
281.04636	0.8
283.06064	1.0
285.07626	0.7
297.03983	3.3
298.04742	6.1
303.08667	9.4
313.07031	19.0
316.05774	1.2
331.08133	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60826	0.9
52.61075	0.8
53.03942	2.6
55.01870	6.6
55.05508	12.4
56.96341	1.0
56.96569	12.1
57.03431	6.3
58.78342	0.9
59.04991	1.2
60.04496	1.1
61.02926	4.5
62.31789	0.8
66.75505	1.0
67.05502	5.7
68.99789	2.4
69.03431	29.8
69.07069	12.3
70.06598	7.5
71.01369	1.1
71.04997	8.7
71.08630	3.9
71.51906	1.0
72.08150	2.6
73.02908	2.8
79.05504	6.5
81.02988	1.4
81.03422	17.9
81.07057	9.3
82.04212	1.0
83.01302	1.1
83.04972	4.1
83.06107	2.6
83.08611	5.0
84.04505	20.9
84.08141	5.2
84.96033	4.1
85.02908	46.7
86.09718	6.6
87.00822	2.8
87.04462	3.6
88.11269	5.5
91.03935	1.9
91.05482	10.2
92.05792	0.9
93.07041	8.4
95.04964	4.5
95.08609	8.8
97.02898	17.5
97.06527	2.3
97.10110	1.0
98.97593	9.9
98.98469	100.0
99.04447	6.1
99.08070	2.7
100.98888	2.2
101.06031	1.0
101.07141	2.1
102.05560	2.2
103.05470	3.7
104.10719	1.2
105.01869	1.0
105.07043	9.7
107.04942	2.8
107.08618	5.2
109.02879	9.7
109.06506	2.5
109.10152	3.4
110.07177	1.1
111.04451	4.9
111.05159	1.0
111.08089	11.1
113.09639	3.0
115.00689	3.0
115.03917	3.7
116.10728	1.9
116.98642	2.5
116.99418	1.9
117.03369	3.6
117.06993	1.3
118.03720	1.1
119.01891	0.9
119.04953	2.8
119.08566	5.4
120.08096	2.2
121.06502	9.4
121.10109	1.9
122.06905	1.6
123.04459	2.6
123.08071	3.7
123.11687	1.7
125.09529	1.0
127.03917	18.8
127.07551	1.1
129.02299	6.1
129.06624	3.0
129.10258	2.7
130.04050	1.8
130.05000	28.5
131.00104	1.5
131.04868	1.7
133.01740	1.2
133.02786	1.0
133.06480	4.9
133.10162	1.5
134.03621	2.8
135.04425	3.1
135.08049	5.1
135.33167	1.0
137.06004	8.1
137.09627	1.5
139.07550	6.7
141.09082	7.8
142.04965	1.0
143.08542	1.6
145.02820	7.1
145.04950	3.4
145.10152	3.0
146.03174	4.7
147.03307	5.3
147.04337	1.2
147.07820	4.4
147.11656	1.6
149.06001	3.1
149.09618	1.2
150.06750	2.2
151.03917	7.8
151.07552	5.1
151.11168	1.4
152.06149	1.2
152.10689	2.1
153.01848	1.1
153.05534	1.4
153.06952	2.8
155.06046	1.7
155.08527	1.3
157.06488	1.9
158.99680	2.2
161.09636	0.9
161.13234	2.5
163.03827	1.8
163.11220	1.8
165.05566	1.3
165.07053	3.4
166.07759	1.2
166.99792	1.2
167.07042	4.3
167.08470	1.6
167.10675	1.3
168.05728	2.1
169.01375	1.0
169.04991	1.0
169.06392	1.4
169.07574	1.6
169.08781	1.5
169.13368	2.9
170.11745	2.7
173.01233	9.2
173.09601	2.3
174.99242	5.1
175.06003	1.0
176.98923	10.2
177.05479	14.7
177.06923	1.7
178.05829	11.8
181.05005	1.1
181.06465	4.7
182.07300	2.1
183.08096	4.0
185.00807	3.1
185.05939	1.8
189.09126	1.4
191.02245	2.7
191.10674	3.3
195.05545	3.2
197.05942	1.2
197.12900	3.9
198.11201	1.8
199.07521	1.2
200.12834	2.0
203.03795	1.4
208.05206	1.9
209.05678	4.9
209.11662	9.4
210.06775	3.5
211.07368	4.6
214.06294	1.3
215.10677	1.4
215.13875	6.1
217.15497	5.1
225.06796	1.4
225.08968	1.5
226.06589	2.9
227.06915	3.0
227.10449	1.0
228.07933	2.2
228.12315	6.0
230.05688	2.3
233.14967	2.5
238.06204	3.1
239.14275	1.0
241.04912	1.9
243.10147	1.6
245.14937	2.3
250.07806	1.4
251.05956	1.1
252.99641	2.1
253.08690	2.2
255.06232	2.2
261.08017	3.8
265.07471	2.4
266.27737	1.1
267.03723	1.4
269.13715	1.3
270.05386	1.8
270.08392	3.7
271.06958	3.8
271.09692	5.3
272.10449	1.5
273.07501	2.7
279.09009	1.8
283.05771	1.4
284.09460	1.4
285.04047	1.9
285.08737	6.4
289.07431	3.4
291.03934	1.8
295.07144	1.6
295.11816	10.0
295.20279	3.2
298.04633	6.9
299.09134	3.9
301.03561	4.8
301.06509	1.3
301.10898	1.9
302.18924	5.1
307.08514	9.5
308.08777	1.4
309.04794	2.1
313.08099	11.6
313.21274	21.7
316.06137	6.7
316.09015	7.6
316.20456	1.6
319.08633	5.8
331.08188	33.6
331.11734	46.4
331.17865	2.0
331.22610	10.8
332.12231	1.5
337.09671	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	331.0815
Annotation	Malvidin
Peak:m/z	Relative Intensity
55.01866	0.3
55.05504	0.5
56.96565	0.5
57.07082	0.5
60.04538	1.8
67.05505	0.8
68.99801	1.0
69.07075	0.6
69.77803	1.7
79.05480	0.3
80.02658	0.3
81.07050	0.9
83.08611	0.5
84.04474	0.3
91.05495	0.9
93.07060	0.7
93.54501	0.3
95.04970	0.9
95.08625	0.7
98.98473	43.2
100.98866	1.1
105.03413	0.4
105.07061	0.7
107.04998	0.5
107.08627	0.4
109.10170	0.4
113.28992	0.3
116.99517	1.0
118.04189	0.3
121.02857	0.4
121.06502	2.3
121.10098	0.4
122.06865	0.9
123.08106	0.4
127.00272	0.6
131.04939	2.3
134.03664	0.4
135.04442	0.5
137.02341	1.2
137.05980	0.5
139.03917	4.0
139.97610	0.3
140.01064	0.9
146.03629	0.9
147.04453	0.5
148.05229	0.9
149.06108	0.4
151.07584	0.4
152.04704	0.4
153.01834	4.1
163.03897	0.6
164.07072	0.8
165.01843	1.6
165.05504	1.5
165.07417	0.5
166.99757	0.5
168.00554	3.7
174.99239	2.4
176.98955	4.2
178.08607	0.4
183.02942	1.2
185.00845	1.0
186.01607	3.4
191.07104	0.7
194.02113	0.8
196.05243	0.4
213.05487	0.8
214.06252	0.4
228.04173	0.4
229.04935	0.4
230.05826	0.4
241.05084	0.7
242.05756	1.2
243.06596	0.4
245.04480	0.6
252.99699	0.8
254.99562	0.4
256.03879	0.3
257.04584	0.4
259.06082	0.5
269.04504	2.7
270.05316	1.7
271.05960	2.7
273.03992	1.3
277.88147	0.3
277.94467	0.4
284.03113	0.4
285.03961	1.0
286.04926	0.5
287.05530	11.2
295.24695	0.5
297.03894	2.1
298.04697	5.0
299.05487	3.2
300.06235	1.2
301.03555	2.1
302.04230	0.9
313.03479	0.4
315.02008	0.4
315.04990	23.9
316.05743	5.8
331.08139	100.0
332.08517	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01855	0.3
65.56391	0.2
67.05480	0.2
68.99793	5.2
73.08175	0.2
80.03168	0.2
81.07081	0.2
91.86990	0.2
95.08597	0.3
98.20770	0.8
98.97884	0.3
98.98477	4.4
103.05400	0.3
105.03384	0.3
107.04946	0.7
112.01553	0.4
121.06498	0.3
127.00292	0.3
131.04951	1.6
134.03639	5.7
135.04434	3.3
136.01524	0.5
137.02335	1.1
138.99359	0.3
139.00285	2.5
141.01822	0.2
142.02681	0.2
144.05711	0.3
145.06505	0.2
145.84152	0.2
146.03616	0.4
147.04399	1.9
148.01387	0.2
148.05159	0.8
149.06003	1.3
153.01843	2.6
153.05424	0.4
154.02571	0.7
154.29121	0.2
160.05244	0.4
161.02252	0.3
163.03857	0.3
165.01839	1.4
166.99767	6.2
168.00566	2.7
168.05663	0.4
169.01337	7.2
171.04349	0.3
172.05208	0.7
173.05984	0.2
175.03899	0.3
176.98860	0.4
178.02554	0.2
179.03439	1.3
181.01315	0.3
182.00571	0.3
182.02101	4.0
183.02905	1.0
183.04388	0.3
185.00845	8.6
185.05978	0.3
186.01694	0.9
186.03120	0.3
186.06772	0.2
196.05142	0.6
197.05962	0.6
199.03854	0.8
200.03104	0.7
200.04684	0.5
201.05440	0.2
213.05463	0.8
214.06244	0.5
217.04980	0.5
224.04704	0.4
225.05368	0.3
227.03285	0.3
228.04208	0.8
229.04985	0.4
241.04948	0.9
242.05743	1.4
243.06398	0.3
245.04504	1.8
252.04181	1.6
253.04985	0.8
255.02930	1.6
256.03650	2.0
269.04462	3.3
270.05261	4.9
271.06061	1.7
273.03986	2.8
280.03668	1.5
281.04449	0.9
283.02521	1.5
284.03195	1.2
285.03986	6.7
286.04694	0.2
287.05496	0.9
288.06253	0.4
297.03928	2.3
298.04742	25.5
299.05530	1.8
301.03455	15.0
315.05035	1.4
316.05801	19.3
331.08136	100.0
332.08371	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	5,6,7-Trihydroxy-8,4'-dimethoxyflavone
Peak:m/z	Relative Intensity
53.03925	0.3
55.01851	0.3
67.05498	0.7
68.99791	6.3
69.03399	0.4
69.07066	0.3
69.45900	1.4
69.46307	0.6
70.27668	0.3
71.01363	0.3
81.07039	0.7
85.02926	0.3
86.64020	0.2
90.04684	0.6
91.05472	0.9
93.07039	0.9
95.08600	0.7
95.14272	0.3
98.98466	29.7
100.98861	0.9
103.05473	0.3
105.07015	0.4
107.04959	0.8
109.06515	0.3
114.83614	0.3
115.05428	0.4
116.99509	0.5
119.04922	0.4
121.06516	1.8
121.10168	0.6
122.06821	0.8
123.04366	0.3
125.02337	0.9
127.03878	0.3
131.04933	0.9
134.03629	4.9
135.04405	4.1
135.11710	0.3
137.05997	1.3
139.00259	3.2
140.01071	0.3
141.07014	0.3
147.04361	0.5
149.02356	1.2
149.05966	0.7
150.06700	0.3
153.01848	3.0
153.05490	0.5
153.06953	0.5
154.02606	0.8
155.03378	0.7
158.03639	0.3
159.04399	0.3
163.03955	0.3
164.07028	0.5
165.01855	0.8
165.07153	0.5
166.99757	5.4
167.07024	0.7
168.00543	0.8
168.05710	0.4
169.01311	2.9
171.04379	0.3
174.99167	1.5
176.98917	3.2
177.05487	1.0
179.03426	1.5
179.08792	0.3
181.01352	1.0
181.06471	0.7
182.02090	3.9
183.02902	1.1
183.08101	0.7
184.05199	0.5
185.00810	10.6
185.06047	0.5
186.01581	0.8
186.03159	0.3
187.03914	0.3
189.05266	0.4
196.05208	0.4
197.05988	0.7
199.03925	0.9
199.07497	0.4
200.03143	1.3
200.04755	0.5
201.05489	0.6
203.03581	0.3
207.02855	0.3
208.38795	0.3
209.06090	0.3
210.06754	0.5
211.07556	0.9
213.05411	1.2
214.06255	0.8
217.04933	0.5
227.03423	0.7
227.06987	0.4
228.04156	1.5
229.04883	0.4
230.05827	0.4
238.06299	0.4
239.06953	0.4
241.04924	1.0
242.05765	1.2
243.06519	0.7
245.04453	0.9
245.07991	0.3
252.04120	0.5
252.99625	0.7
253.05128	0.3
254.99487	0.3
255.02901	2.5
255.06523	0.5
256.03650	4.4
256.06406	0.4
256.07471	0.4
257.04501	2.9
257.07385	0.4
257.07968	0.3
258.05353	0.3
269.04425	1.9
270.05212	2.3
271.06015	2.6
271.09412	0.4
273.03934	3.0
273.06952	0.5
280.03705	0.9
281.04422	0.5
283.02481	2.1
284.03140	3.5
285.03903	4.1
285.07089	0.4
285.12070	0.4
297.03922	2.1
298.04718	20.2
299.05478	2.2
299.08905	0.5
301.03424	16.7
303.08664	0.5
313.07205	0.6
313.21576	0.3
315.05090	2.2
316.05765	21.5
331.08130	100.0
331.11667	8.1
332.08414	0.9
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	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
51.45086	0.3
55.01871	0.7
55.05486	0.4
57.07078	0.4
67.05498	0.7
68.99788	3.7
69.03434	0.4
69.07069	0.4
69.70732	1.5
71.01359	0.4
79.05505	0.5
81.07054	0.8
83.44952	0.3
84.02122	0.7
86.09718	0.5
87.61060	0.4
91.05466	1.0
93.07042	0.8
95.04957	1.0
95.08592	0.6
98.98471	35.1
99.00847	2.5
100.98898	1.0
103.05483	0.7
105.03452	0.4
105.07052	0.6
107.00526	0.3
107.04960	0.8
107.08575	0.4
107.26583	0.3
109.10207	0.3
111.04469	0.3
112.01601	3.4
116.99537	0.5
118.04190	0.4
119.08557	0.4
121.06511	2.0
122.06868	0.7
125.05984	0.5
127.00275	3.4
129.07092	0.4
131.04938	13.2
131.08641	0.4
133.02863	3.5
134.03630	1.3
135.04442	1.1
137.06006	1.5
139.00266	1.0
140.01067	2.2
145.10129	0.7
148.05208	5.6
149.05997	2.5
150.06792	0.4
152.06259	0.5
153.01868	1.1
153.05501	0.5
153.07002	0.9
154.99806	0.6
155.08583	0.6
157.06473	0.4
159.04471	0.8
159.08102	0.4
164.07124	0.5
165.05649	0.7
165.07114	1.6
166.99817	1.7
167.07085	0.4
168.00551	27.6
168.05711	0.9
169.01242	0.9
169.06552	0.5
174.99246	0.9
175.03941	0.9
176.98953	3.2
177.05449	1.1
179.03447	0.5
179.07086	0.4
181.05121	0.4
181.06567	1.0
182.02106	0.8
182.07274	0.8
183.02904	5.5
183.04445	0.3
183.08156	0.8
185.00833	3.2
185.06003	0.8
186.01607	17.7
186.06796	0.3
196.05246	0.6
197.06049	1.3
198.06862	0.8
199.03886	0.7
199.07646	0.8
200.04738	1.4
208.57318	0.3
209.05873	0.7
211.04089	0.5
211.07571	1.4
212.04779	0.5
212.08322	0.6
213.05597	0.8
213.09077	0.7
214.06291	1.3
225.05498	1.9
225.16451	0.8
226.06277	0.5
227.07011	0.8
228.04128	0.8
228.07707	0.4
230.05826	0.6
237.05411	0.5
238.06265	0.8
239.03575	0.4
239.07133	0.7
241.04970	0.9
242.05791	1.3
243.10275	0.6
245.04460	1.3
249.16815	0.3
252.04219	0.6
252.99847	0.6
253.05038	0.4
255.02901	0.6
255.06590	0.4
256.03622	0.8
256.07404	0.7
257.08109	0.4
269.04498	1.6
270.05234	1.7
271.06015	1.4
271.09427	0.7
273.04022	2.2
273.07437	0.5
275.09253	0.8
280.03738	0.6
283.02289	0.4
284.03094	2.2
285.04251	0.4
285.07556	0.7
285.18552	0.5
287.05417	0.5
297.03851	0.6
298.04742	13.6
299.05533	1.3
299.09109	1.1
301.03406	4.4
303.08575	0.4
303.12051	0.4
313.03189	0.4
313.07199	1.6
315.05008	1.0
316.02039	0.7
316.05777	13.8
316.08734	0.7
331.08163	100.0
331.11771	13.3
332.08557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
56.28421	0.4
65.87322	0.4
68.99783	2.9
70.19955	1.2
70.20332	0.8
71.01386	0.6
82.71478	0.4
84.02121	1.2
84.98611	0.4
91.96131	0.4
98.98455	1.1
99.00803	2.3
111.11604	0.4
112.01572	2.4
127.00286	2.5
131.04935	12.0
134.03654	1.0
135.04462	1.0
139.00235	1.3
140.01010	2.1
148.05202	4.0
149.05968	1.2
153.01793	1.0
154.99767	0.6
159.04437	1.1
166.99782	2.7
168.00548	30.6
169.01349	0.6
172.05188	0.8
175.03908	0.5
182.02141	0.7
183.02925	4.2
185.00827	2.2
186.00055	0.8
186.01604	10.0
200.04686	0.7
225.05423	1.0
242.05766	1.5
245.04503	0.6
255.03038	0.6
256.03693	0.8
269.04504	1.3
270.05240	1.1
271.06000	1.6
273.03918	1.3
283.02411	0.4
284.03204	1.7
285.07648	0.6
287.05441	0.4
297.03778	0.7
298.04721	12.2
299.05551	0.9
301.03482	2.8
303.08606	0.5
315.05099	0.9
316.05786	12.7
331.08127	100.0
332.08487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.01809	0.3
55.05408	2.3
55.05709	0.7
57.07001	0.3
64.72831	0.2
67.05414	0.4
68.99710	0.4
69.03365	0.4
69.06959	0.6
69.07298	0.3
69.53811	1.5
70.06477	1.0
71.04904	0.4
72.08073	0.4
76.25701	0.2
79.05396	0.5
81.03301	0.6
81.06949	0.6
82.06458	1.4
83.04855	0.8
83.08494	2.6
84.08022	0.6
85.02796	0.9
85.06432	0.2
86.09582	2.9
87.09954	0.5
91.05363	0.8
93.06921	0.7
95.04875	0.5
95.08507	0.2
97.02811	0.4
98.05971	0.3
98.97558	0.5
98.98338	16.7
100.07526	0.5
100.09394	0.3
100.11126	8.1
100.11848	0.7
100.98804	0.5
103.05397	0.3
105.03294	0.3
105.06929	0.4
107.04849	0.6
107.08479	0.4
109.02786	0.3
109.06342	0.2
109.10083	0.4
110.05917	0.9
110.07080	0.3
111.00713	0.4
111.04309	1.3
111.07985	0.4
112.07494	0.5
116.99333	0.3
117.13766	0.2
120.01912	0.3
120.08001	0.3
121.02763	0.6
121.03582	0.2
121.06499	1.8
121.10032	0.2
122.03522	0.3
122.06701	0.8
123.04336	0.5
127.03816	0.5
127.08603	0.3
128.06956	0.5
129.05443	0.2
129.10176	0.4
131.04877	0.4
133.02779	0.4
134.03534	0.3
135.04314	0.6
135.11650	0.3
137.02216	0.8
137.05986	2.0
138.06740	0.5
139.03914	5.8
139.07481	0.2
139.08553	0.7
140.06892	0.3
141.11349	0.8
145.02705	0.5
145.10042	0.3
146.03647	1.3
146.11607	0.6
147.11868	0.3
149.05910	0.3
151.03798	0.4
151.07454	0.5
152.06017	0.2
153.01837	4.4
153.06912	0.4
154.74663	0.2
155.08507	0.3
157.13354	1.0
158.13654	0.5
158.99590	0.3
161.05896	0.3
162.02933	0.8
163.03825	0.8
163.07458	0.2
164.07001	0.3
165.01859	2.1
165.05353	1.9
165.06943	0.8
166.02542	0.3
167.06955	0.4
168.05646	0.5
168.07053	0.2
169.01553	0.3
169.06387	0.3
170.11636	0.3
174.99120	0.9
176.98959	1.8
177.05475	1.2
178.05708	0.6
181.01254	0.4
181.06325	0.6
182.07170	0.3
182.15408	3.1
183.02774	0.6
183.07961	0.5
183.15652	0.2
184.05199	0.2
185.05894	0.6
185.13040	0.3
191.06931	0.9
192.13783	0.3
194.02133	1.1
196.05138	0.3
197.05847	0.8
199.18022	0.5
200.08331	0.3
204.66315	0.3
208.05142	0.3
209.00745	0.3
209.05707	1.0
209.16505	2.9
210.06706	0.6
210.14908	2.8
211.07393	0.8
212.04575	0.3
213.05447	1.2
217.04747	0.3
218.17047	1.3
218.66165	0.5
225.05321	0.3
226.06238	0.3
226.19148	1.8
227.06914	0.4
227.17455	0.3
228.04071	0.4
228.07744	0.4
228.15753	0.2
229.05104	0.5
230.05734	1.0
237.05156	0.3
238.06230	0.4
239.07018	0.4
241.04929	1.4
242.05559	0.8
243.06435	0.7
245.04449	0.4
252.99785	0.3
254.05527	0.2
254.99458	0.3
255.06267	0.5
256.03601	0.3
256.07495	0.3
257.04379	0.6
257.08032	0.4
258.05090	0.9
259.05966	0.7
267.72375	0.3
269.04446	2.8
270.05182	2.2
270.08377	0.8
271.05994	2.9
271.09570	1.2
272.06662	0.8
273.03897	0.6
275.09131	0.3
281.70068	0.7
284.03217	0.4
285.03949	0.9
285.07236	0.3
286.04620	0.5
287.05508	13.1
288.06351	0.4
288.09485	0.4
297.03879	2.1
298.04767	4.2
299.05597	3.9
299.09009	0.7
300.06305	1.7
301.03442	1.3
302.04276	1.3
302.18774	0.6
309.40643	0.3
313.07956	0.6
313.21274	0.3
315.04990	30.2
316.05713	4.2
316.09048	2.0
322.24835	0.4
326.28003	1.3
327.28580	0.2
331.08136	100.0
331.11572	8.0
331.25497	1.0
332.08527	1.0
336.22968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
53.68268	0.2
55.01864	0.4
56.02639	0.6
66.01081	0.3
68.99449	0.2
68.99789	3.5
70.90561	0.3
71.01343	0.5
71.46124	0.2
72.11497	0.2
84.02113	0.8
91.05467	0.2
95.01350	0.3
98.98459	1.3
99.00205	0.2
99.00811	2.7
103.05347	0.2
105.03401	0.2
107.04938	0.2
112.00885	0.2
112.01595	3.3
118.04138	0.3
121.06483	0.5
127.00278	2.9
131.04926	14.6
132.05678	0.4
133.02829	0.4
134.03632	1.4
135.04419	1.0
139.00249	0.9
140.01044	2.4
148.05196	4.4
149.05981	1.4
151.03818	0.2
153.01833	0.7
154.99692	1.0
159.04424	0.9
165.01888	0.2
166.99763	2.7
167.52707	0.2
168.00537	34.4
169.01234	0.6
175.03947	0.9
178.78069	0.2
182.02084	0.8
182.87025	0.2
183.02898	5.2
183.04480	0.4
185.00815	3.3
186.01595	11.7
197.06010	0.5
199.03773	0.3
200.03154	0.3
200.04753	0.7
212.04776	0.2
213.05464	0.2
214.06268	0.8
225.05475	1.5
228.04163	0.6
229.04935	0.3
241.04987	0.5
242.05653	1.2
243.06598	0.5
245.04462	1.1
252.04314	0.4
253.05063	0.2
255.02803	0.7
256.03638	1.1
269.04495	1.4
270.05228	1.6
271.05890	1.4
273.03918	2.4
275.09119	0.5
280.03735	0.5
283.02420	0.5
284.03137	2.0
285.03918	0.4
285.07468	0.4
287.05536	0.4
288.06360	0.3
297.03973	0.8
298.04715	12.5
299.05582	0.9
301.03415	4.2
315.04980	1.0
316.05762	14.4
331.08105	100.0
332.08389	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0812
Annotation	3,5,7-Trihydroxy-6,8-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01860	0.9
56.02667	0.2
60.49194	0.2
64.16068	0.3
67.05499	0.6
68.99780	0.6
70.60092	0.5
71.01349	0.6
75.06506	0.3
81.07052	0.7
83.01317	0.3
91.05479	0.4
93.07078	0.3
98.98467	7.8
99.00816	2.2
100.98869	0.3
118.04156	0.9
119.04922	0.7
121.06492	0.8
122.06843	0.4
124.01566	1.0
127.03891	0.4
145.02832	0.5
149.13364	0.3
152.04706	0.3
153.01776	0.6
154.99751	8.2
162.13849	0.2
164.07013	0.3
168.00577	0.6
168.05684	0.5
170.02133	0.5
174.99210	0.6
176.98923	0.7
177.72403	0.3
178.99785	0.8
180.00537	6.5
182.99254	37.6
183.99628	0.3
191.03314	0.2
195.13907	0.3
196.05214	0.5
197.00833	0.6
198.01601	34.5
201.00311	19.4
201.02264	0.4
203.19450	0.3
213.03934	3.9
216.02661	23.5
239.03496	0.4
243.06386	0.3
252.04092	0.4
255.02916	0.5
256.03604	0.3
271.06049	0.3
273.03876	0.8
280.03696	2.1
283.02396	1.4
285.07605	0.4
298.04761	2.1
301.03433	5.9
313.03503	1.3
316.05780	5.8
316.09232	0.5
331.08121	100.0
332.08344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85564	2.3
55.05512	21.0
56.96566	4.8
67.05502	30.8
69.07070	11.2
70.76025	4.5
71.04968	2.9
71.08633	99.6
79.05503	23.4
81.07057	30.1
83.04985	5.6
83.08624	16.4
91.05489	23.3
93.07049	27.3
95.04958	2.7
95.08599	30.5
97.06508	5.7
97.10143	15.0
98.98468	100.0
99.08092	91.3
105.07035	16.7
107.08604	9.4
107.65280	3.2
109.06573	3.4
109.10188	5.3
111.08076	6.0
113.09687	2.6
116.10680	3.0
117.07060	4.3
119.08614	16.5
121.06498	5.6
121.10126	6.3
125.09617	13.8
133.10152	17.1
135.11703	10.9
139.07622	2.9
145.10092	7.1
147.11627	2.9
151.11191	56.6
161.13268	37.4
163.11195	22.4
164.07022	3.1
171.10243	6.4
171.11595	2.9
174.99222	4.3
176.98929	8.0
178.08632	8.3
179.14310	45.9
189.11232	20.5
192.09175	3.5
198.14932	2.5
229.79317	3.0
241.19505	9.0
259.20572	11.7
277.21625	91.9
295.22696	28.9
330.16879	6.1
330.29779	3.1
330.33521	4.0
331.08197	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0813
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
51.96975	0.2
55.01860	0.4
56.02653	0.4
65.12715	0.2
68.99799	3.2
71.01340	0.5
84.02113	0.8
91.05474	0.3
95.01330	0.2
98.20740	0.5
98.97535	0.4
98.98473	4.9
99.00830	2.6
103.05450	0.2
104.06247	0.2
107.72559	0.2
112.01595	2.3
118.04147	0.3
121.06517	0.6
127.00291	2.7
131.04935	12.9
133.02820	0.3
134.03653	1.3
135.04442	0.8
137.05962	0.3
139.00276	1.2
140.01050	2.2
145.06485	0.4
148.05194	4.8
149.06004	1.2
153.01826	1.0
154.99689	0.6
159.04442	1.0
165.01796	0.5
166.99745	1.9
168.00546	29.0
169.01295	0.8
172.05225	0.2
174.99220	0.2
175.03922	0.9
176.26472	0.2
176.98911	0.5
179.03528	0.3
181.06485	0.3
182.02110	0.9
183.02896	5.9
183.08150	0.2
185.00830	3.4
185.05943	0.3
186.01601	12.7
195.21339	0.2
196.05240	0.4
197.06021	0.5
200.04732	0.8
208.91689	0.2
211.07671	0.2
213.05554	0.3
214.06258	0.6
224.04710	0.3
225.05505	1.3
228.04189	0.6
229.04901	0.5
241.04987	0.6
242.05739	1.1
243.06680	0.4
245.04443	0.9
252.04118	0.6
253.08855	0.2
255.02927	0.8
256.03662	0.9
258.05212	0.3
259.06061	0.2
269.04407	1.1
270.05313	1.5
271.06024	1.5
271.08777	0.2
273.03949	1.6
275.08990	0.5
280.03531	0.3
284.03180	1.9
285.07562	0.4
287.05536	0.3
297.03964	1.1
298.04724	12.6
299.05505	1.0
301.03433	3.7
303.08484	0.3
313.07175	1.0
315.04977	0.8
316.01978	0.3
316.05780	12.8
331.08124	100.0
331.11118	3.9
332.08603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
55.05515	25.3
55.37188	2.4
57.03437	13.6
57.07066	4.3
59.04988	4.4
59.42279	2.3
67.05511	87.9
69.07072	23.3
70.11337	8.3
71.04990	4.4
71.08628	4.3
76.30132	2.1
79.05489	24.1
81.03418	5.3
81.07067	53.4
83.04971	11.2
83.08630	17.3
85.06522	2.4
87.04477	5.7
88.07647	3.1
91.05494	17.9
93.07049	23.8
95.04962	6.4
95.08602	22.0
97.06529	5.1
97.10167	10.3
97.25260	2.3
97.48576	2.4
98.98475	88.1
99.08122	2.5
105.07023	12.1
107.08596	13.9
109.10168	69.5
111.08085	7.1
114.51853	2.5
119.08581	15.3
121.06522	3.7
121.10155	10.5
123.11740	13.2
125.09633	7.6
131.08534	4.1
133.10121	5.7
135.11681	8.0
137.09631	7.7
139.11177	13.1
140.14348	4.5
141.12695	3.0
143.08685	2.5
147.11714	7.6
149.13240	6.8
151.07574	3.1
155.10670	28.2
161.13307	7.8
165.12740	4.1
173.11749	100.0
174.99161	3.1
175.14859	3.1
176.98975	4.5
177.12817	2.6
178.08621	10.8
179.14359	3.4
189.11253	2.9
193.12305	5.4
195.13821	4.5
211.13306	8.2
224.88234	2.2
259.20541	4.0
277.21616	30.1
294.24155	2.5
295.22659	17.1
330.17102	4.4
330.29962	11.4
330.33798	6.2
331.08118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44907	2.2
53.03933	4.8
53.86002	2.1
54.48273	2.2
55.01869	8.6
55.05513	39.0
57.03437	13.6
57.07074	8.3
63.23715	2.7
65.03918	2.9
67.05511	100.0
68.46597	2.6
69.03447	3.8
69.07072	33.2
70.76736	5.4
71.04976	7.1
71.08621	6.9
72.08147	2.3
79.05085	2.8
79.05502	36.9
81.03416	12.3
81.07063	79.1
83.04996	16.7
83.08620	26.3
85.06542	5.5
87.04466	10.2
91.05492	22.9
93.07055	47.2
95.04964	9.5
95.08617	44.1
97.06531	11.0
97.10181	15.4
98.98473	52.1
99.08110	5.7
100.14413	2.0
101.06022	3.9
105.07030	24.4
106.93096	2.3
107.08607	27.2
109.06507	5.0
109.10163	50.2
111.08080	10.2
112.33544	2.4
117.07047	3.3
119.08599	21.6
121.10149	18.5
123.08083	3.3
123.11729	15.4
125.09621	9.4
129.06999	3.4
131.08591	6.8
133.10149	10.5
135.08051	4.2
135.11714	10.7
137.09593	7.4
137.13199	3.1
139.11209	21.9
140.14388	4.6
145.10117	3.2
147.11703	10.6
149.13280	9.0
153.12708	3.3
155.10678	27.3
157.10146	4.3
159.11668	3.2
161.13293	9.3
163.14819	3.8
165.12767	6.3
171.11674	3.7
172.13380	4.1
173.11774	47.8
173.13200	3.9
175.11160	3.0
175.14896	3.9
176.99132	3.0
178.08684	3.0
179.14320	4.7
185.13293	3.4
189.11224	6.1
193.12291	7.8
211.13383	16.5
221.15466	3.3
222.77074	2.2
231.21107	3.2
241.19427	3.3
249.22198	5.7
259.20563	5.4
277.21637	53.2
295.22705	33.6
330.17154	3.8
330.29980	10.5
330.33694	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.0
56.96568	1.2
57.07060	2.8
60.88800	1.3
67.05507	10.6
67.36412	1.1
69.07090	5.9
70.06608	2.3
71.04985	1.3
71.08614	3.5
71.51711	2.0
74.69112	1.3
79.05495	4.1
81.03385	1.4
81.07063	10.5
83.04994	2.0
83.08632	2.1
85.10171	3.5
87.04461	3.1
88.07633	3.0
91.05481	3.9
93.07044	8.7
95.05000	1.2
95.08620	14.0
97.06544	2.4
97.10154	2.4
98.98478	100.0
99.08093	2.0
100.98872	3.0
105.07024	3.6
106.08607	1.5
107.04892	1.4
107.08615	3.2
109.10145	3.1
111.11703	1.9
113.09630	5.6
116.99543	2.0
119.08588	2.7
121.06499	2.2
121.10159	8.6
122.10436	1.6
125.09636	2.2
131.08585	1.3
133.10161	1.8
135.11687	3.2
139.11150	2.6
143.04898	2.8
147.11691	3.4
149.09583	1.9
151.07547	6.9
151.11176	2.0
163.06256	2.8
163.11235	1.4
165.12738	1.3
174.99222	4.9
175.07590	2.6
175.99554	1.5
176.98947	6.8
177.00287	1.3
178.08670	18.6
189.61203	1.2
193.12312	1.7
203.12769	2.5
211.13289	1.7
277.21692	6.1
295.22641	5.9
313.14264	2.2
330.17001	8.0
330.29977	6.0
330.33688	6.6
331.08093	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	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01886	3.6
55.05513	26.4
56.96548	3.5
57.03442	12.5
57.07076	5.8
59.04991	1.7
67.05507	64.3
69.03426	4.3
69.07068	28.0
69.23925	15.9
70.06592	3.3
71.04972	4.3
71.08622	3.7
77.22148	1.5
79.05498	21.6
81.03407	5.8
81.07061	66.5
83.04983	8.3
83.08629	20.4
84.51534	1.9
85.06539	3.2
87.04460	7.0
88.07622	2.6
91.05484	19.4
92.79604	1.7
93.06495	2.1
93.07051	32.9
95.04955	6.9
95.07191	1.8
95.08606	26.7
97.06524	6.8
97.10179	11.9
98.98471	100.0
99.08065	4.9
101.06007	3.5
105.07041	14.4
107.08608	15.4
109.06512	3.8
109.10162	37.4
111.08100	9.6
113.88371	1.7
117.07015	3.7
119.08594	15.3
121.06496	6.8
121.10144	12.6
123.08044	3.2
123.11700	16.1
125.09652	9.3
131.08469	2.1
133.10156	5.9
135.08072	2.4
135.11685	7.4
137.05983	2.2
137.09608	6.5
137.13228	2.3
138.41931	1.9
139.11194	7.9
141.12814	2.8
143.04967	2.9
147.11688	7.6
149.13275	5.5
151.07542	3.6
151.11140	2.8
153.09090	3.1
155.10672	21.1
159.11705	2.2
161.13275	7.2
163.14854	2.2
164.07094	1.8
165.12714	3.6
171.11642	2.3
173.11748	28.8
174.99194	5.1
175.11205	3.1
175.14912	3.1
175.99611	2.4
176.98897	5.3
178.08621	12.7
185.13292	1.7
189.11282	7.8
193.12224	5.7
211.13226	9.0
221.15334	2.3
231.21091	2.8
241.19441	3.2
249.22144	2.6
259.20547	5.0
268.30203	2.0
270.27872	3.2
272.02823	3.0
277.21649	38.9
294.24301	3.4
295.22681	21.6
300.02222	5.2
313.14166	2.0
315.04724	10.9
330.06870	16.3
330.16998	6.0
330.29959	14.3
330.33688	3.8
331.07898	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
56.05033	0.5
57.05805	0.7
58.99633	0.3
60.04526	0.6
63.75283	0.2
69.07054	0.6
69.68163	0.8
69.68573	0.8
70.06585	3.0
72.08157	100.0
74.06083	0.4
81.07057	0.3
84.04514	1.6
84.08141	2.2
86.09707	25.0
88.03992	1.7
91.05454	0.6
93.07042	0.4
98.98469	9.0
100.07612	0.5
103.05509	0.3
105.07059	0.3
107.05009	0.3
108.31764	0.3
109.06538	0.3
110.07176	0.6
116.07098	0.5
118.08662	0.8
120.04477	0.3
120.08162	0.8
121.06519	1.9
122.02743	0.3
129.10229	1.3
130.05031	0.9
131.04903	0.3
132.10190	1.9
135.04459	0.4
136.07613	1.1
137.05969	0.7
137.07983	0.4
137.43597	0.3
145.02829	0.3
149.09625	0.3
151.07553	0.4
163.04051	0.3
164.07092	1.1
167.07056	0.4
171.14929	28.7
172.15260	0.3
174.99260	0.8
176.98967	0.4
177.05511	0.5
178.08673	1.2
185.16495	13.7
198.11296	0.3
199.14426	21.6
208.05156	0.5
213.15994	7.9
216.12433	0.3
217.15443	1.4
223.04222	0.3
225.05746	0.3
231.17018	3.7
237.03224	0.3
272.55051	0.3
293.33649	0.3
315.08752	0.6
330.10794	0.8
330.17056	0.7
330.20490	0.5
330.23853	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1336
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
52.50132	0.2
53.70928	0.2
53.82449	0.2
55.05508	0.3
59.90020	0.2
63.02354	0.2
65.03932	0.5
67.05494	0.4
69.03461	0.2
69.07054	0.2
70.06577	0.2
72.64957	0.2
76.78307	0.2
79.05510	1.1
81.07072	0.3
82.07386	0.3
85.06543	1.0
85.48571	0.2
86.06869	0.3
86.09717	2.2
86.62419	0.2
89.03922	5.2
91.05490	7.4
93.07046	0.8
94.07387	0.3
95.04978	0.8
95.08604	0.4
96.08949	0.3
97.06520	0.3
98.20643	0.4
98.97526	0.3
98.98476	6.1
103.05463	0.2
105.04494	0.3
105.07033	0.3
107.04977	2.5
107.08681	0.2
109.10164	0.3
117.03388	8.9
119.04963	5.4
120.08073	0.4
121.06515	3.3
121.10172	0.3
133.02815	0.2
135.04428	17.2
136.05232	0.5
137.05946	0.7
139.07480	0.5
140.07874	0.4
145.02861	13.9
146.11754	0.8
150.13744	0.2
151.07558	21.9
152.04704	0.4
157.08534	0.4
157.13402	0.6
158.05966	0.2
158.08971	0.3
163.03915	100.0
164.04234	0.7
164.07039	1.3
166.21819	0.2
167.07057	0.7
168.10217	12.7
177.05482	1.5
178.08656	0.4
185.12938	0.5
208.05199	3.1
209.05986	0.3
223.04277	0.5
225.05318	0.3
227.07234	0.2
236.04721	0.7
240.04271	0.2
254.05815	0.4
269.08105	2.0
276.16739	0.4
282.05228	0.3
283.16763	0.2
286.08664	0.2
294.17816	0.5
312.19028	0.3
315.08627	5.6
330.10391	5.0
330.13995	1.4
330.21420	0.3
330.26254	0.4
331.07932	0.5
331.11707	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1338
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
53.90462	0.4
63.02357	0.4
63.81616	0.3
70.02958	0.4
70.06596	2.3
70.30274	0.3
71.17605	0.6
72.08181	1.7
72.08509	0.3
79.05517	0.4
83.81741	0.3
84.08156	1.8
86.09702	2.9
89.03922	4.7
91.05482	0.9
93.07040	0.6
98.97591	0.6
98.97723	0.6
98.98469	8.0
103.05480	0.8
107.04923	0.7
117.03384	20.6
119.04926	0.4
120.08088	0.7
121.06517	2.8
124.05288	0.3
129.10275	1.1
130.94894	0.4
134.03603	0.8
135.04410	1.1
137.05997	0.9
145.02852	51.3
145.06512	1.2
149.02304	0.4
149.05986	7.6
151.07547	0.6
162.05377	0.5
163.03946	0.8
164.07085	1.5
167.07100	0.6
175.99489	0.4
177.05476	100.0
178.05878	0.8
178.08635	1.0
194.05118	0.3
208.05107	0.4
229.01857	0.4
269.08389	0.4
312.12308	2.8
315.08640	1.0
330.07169	0.4
330.13324	2.0
330.17188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1336
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
63.02333	0.3
65.03928	0.5
70.95412	0.6
86.09660	0.8
89.03917	5.6
91.04919	0.5
91.05484	9.8
98.98458	1.3
103.05455	0.5
106.04164	0.4
107.04932	0.5
109.06522	0.4
115.36327	0.2
117.03385	20.2
117.75955	0.2
119.04131	0.3
119.04937	4.2
121.06506	3.1
134.03625	1.2
135.04427	3.2
137.05989	8.8
145.02850	51.7
146.03181	0.6
149.05981	6.3
151.07556	2.3
152.04695	0.4
163.03917	12.8
164.07080	1.3
167.07002	0.6
168.10197	1.2
177.05475	100.0
178.05843	0.6
179.06314	0.2
186.05499	0.7
194.08214	0.3
208.05241	0.7
254.05847	0.3
269.08279	0.4
278.15683	0.2
315.08728	1.4
330.13568	8.1
330.17194	0.5
348.32040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40128	0.3
51.02394	0.3
52.16927	0.4
52.33036	0.3
53.03943	1.7
62.39573	0.4
63.84476	0.4
67.05494	0.4
68.65811	0.4
69.07059	0.4
69.18002	2.2
69.18437	1.5
72.86415	0.3
77.03927	0.5
79.05494	3.0
86.09744	0.4
90.10478	0.3
91.05484	6.3
93.07050	9.4
95.04990	2.1
95.08595	0.4
98.21626	0.4
98.98472	14.0
103.05476	6.5
105.04531	1.1
107.04958	6.1
118.06546	0.4
119.04953	1.7
121.06508	100.0
122.06854	0.6
123.04424	2.9
133.02843	6.4
135.04420	8.2
137.05997	4.2
138.09151	1.4
146.06030	3.0
147.04396	0.5
149.05998	4.8
151.07555	0.8
152.04692	18.3
164.07074	53.0
165.05486	1.2
165.07494	0.4
166.08638	1.0
167.07053	22.1
174.99200	0.7
176.98909	0.6
177.05447	1.0
178.08691	1.9
187.54668	0.4
200.81012	0.4
204.19031	0.4
244.28084	0.4
312.05844	1.2
330.07175	0.4
330.13513	7.7
330.17007	0.7
330.21323	1.1
331.08029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1338
Annotation	N-trans-Feruloyldopamine
Peak:m/z	Relative Intensity
50.05972	0.3
53.03904	1.0
53.62640	0.2
55.01842	0.5
55.05483	0.4
56.05008	0.5
56.05253	0.2
56.96540	0.4
60.04482	1.1
65.03918	0.5
66.92231	0.3
67.05506	1.4
69.03410	0.2
70.06608	1.9
70.68685	0.3
71.51305	0.3
71.51724	0.3
72.08117	0.8
74.05997	0.3
77.03877	0.5
79.05457	1.0
81.03371	0.5
81.07038	0.3
84.04491	0.3
84.08148	1.7
85.02888	0.8
86.09673	1.0
89.03928	1.4
91.05006	0.4
91.05486	4.6
93.07040	7.6
95.04939	1.2
95.08590	0.6
97.02843	0.5
98.98465	9.1
103.05473	5.0
105.04487	0.5
105.89903	0.3
107.04927	0.8
108.02073	0.4
110.07137	0.4
111.04430	0.4
111.08124	0.3
117.03388	6.0
119.01937	0.4
119.04945	1.0
119.08581	0.3
120.08100	0.5
121.06504	100.0
123.04447	0.4
124.07590	0.3
125.06010	0.5
129.10251	0.6
133.02859	0.6
134.03629	0.6
135.04436	1.1
137.06003	1.3
138.09138	5.9
141.05504	0.7
143.04956	0.4
145.02844	17.2
146.03180	0.3
146.06013	1.6
146.11842	0.3
147.04411	0.7
149.05969	3.1
151.03906	40.5
151.04988	3.0
152.04669	2.0
163.04007	0.4
164.07065	34.6
167.07040	4.7
174.99278	0.9
176.99036	0.4
177.05469	30.3
178.08679	0.8
178.54866	0.3
190.95915	0.3
193.05067	0.5
206.08156	3.5
208.05182	2.9
208.06906	0.3
222.03210	0.4
223.04446	0.4
224.09198	1.6
224.13475	0.3
236.04710	0.6
254.05919	0.7
269.08069	2.4
272.07056	0.5
287.09369	0.4
300.06598	0.5
301.07193	0.4
312.09149	0.3
312.25565	0.4
315.08591	6.1
316.09106	0.5
321.65906	0.3
330.13730	18.4
330.26712	1.0
331.11725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01871	24.1
55.05482	1.2
57.03439	2.5
59.04991	2.6
60.02150	1.6
61.02921	1.2
65.03943	1.2
67.05508	1.2
69.03091	1.6
69.03432	18.9
69.07065	1.1
69.53047	5.6
70.06592	14.1
71.01352	22.4
71.04997	2.6
72.08179	5.3
72.08496	1.0
73.02522	1.1
73.02927	22.7
75.04484	59.4
77.29034	0.9
81.03426	15.5
82.41840	1.1
82.50793	1.0
83.01349	30.4
83.04954	1.7
83.06141	0.9
84.04494	2.9
84.08142	6.2
85.02498	1.3
85.02910	11.7
86.09700	11.3
86.37965	1.3
87.04466	6.3
89.02383	1.9
91.05469	1.9
92.04997	2.9
93.07045	1.4
95.01321	2.3
95.67949	1.0
97.02894	62.2
98.98472	19.3
99.00820	5.7
99.68626	1.1
101.02383	59.3
101.06007	3.8
102.04825	1.1
103.05450	1.8
107.04946	2.5
110.06045	31.8
110.07182	2.2
111.04459	12.4
113.02379	12.5
113.06010	2.5
115.03938	12.8
116.07082	4.9
118.07497	1.0
120.04469	1.8
121.06506	2.3
122.02747	2.3
123.04407	1.5
125.02348	17.1
127.03933	11.8
129.05487	61.3
129.10251	3.8
131.03404	1.3
133.02838	1.3
134.06035	1.2
136.07521	1.4
137.05980	3.6
138.05504	52.0
143.03398	19.5
147.06488	1.9
149.06041	5.2
150.05493	3.2
150.06689	2.1
150.09192	1.3
152.07120	2.5
157.04964	16.9
162.05490	1.6
163.03841	1.5
164.07033	2.0
168.10207	2.5
174.99248	2.1
175.06027	5.8
177.05487	13.4
178.08672	2.0
184.01909	2.7
185.02623	3.5
187.14429	1.8
193.07086	100.0
199.04297	3.3
209.08098	32.8
215.13957	1.4
217.11794	1.8
241.05247	4.8
288.75269	1.1
297.18857	1.1
312.10855	10.9
330.11819	22.0
330.20050	1.8
330.83871	1.2
331.12692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09228	0.6
53.03936	0.7
54.44348	0.6
55.01876	56.9
55.05516	1.2
56.05032	0.9
58.99583	0.7
59.04993	0.9
69.03432	4.6
69.07086	1.2
69.87940	1.1
69.88371	2.5
70.06589	9.7
71.01354	4.1
72.08157	3.9
73.02920	4.8
73.08482	0.8
74.06065	1.3
75.04484	10.0
76.02208	1.7
81.03429	3.3
83.01349	5.3
84.04504	1.5
84.08142	2.9
85.02898	2.6
86.09704	8.2
87.04466	0.7
88.03996	1.4
89.03915	1.2
91.05467	1.9
93.03422	0.6
93.07048	1.2
95.05005	0.8
97.02892	14.9
98.97596	0.6
98.97764	0.7
98.98466	10.9
99.00809	1.1
101.02386	10.3
103.05482	5.6
107.04948	2.4
107.08496	0.6
109.64343	0.5
110.06054	7.8
110.07151	1.4
111.04463	3.6
113.02368	1.5
115.03922	2.9
116.07096	4.2
117.03397	1.0
117.07458	0.7
120.08090	2.0
121.06499	4.4
121.08475	1.0
122.02715	6.2
122.06036	1.2
123.04420	0.9
125.02381	4.5
127.03911	3.3
129.05492	13.1
129.10245	2.1
131.04932	3.2
135.04385	1.0
137.05978	1.5
137.78810	0.5
138.05487	12.1
139.03876	1.1
140.04681	2.4
143.03354	3.9
145.02867	1.1
148.05148	0.7
149.05980	12.4
150.05525	5.8
151.03864	0.7
151.07503	0.7
152.07124	0.7
153.05487	5.6
155.07069	1.2
157.04974	3.5
159.04373	1.6
159.05565	0.9
163.03926	1.4
164.07069	1.1
167.07050	0.9
168.10242	1.0
175.06018	0.9
177.05484	41.7
178.08582	1.3
181.05006	0.9
181.08559	0.9
184.01927	6.5
185.02672	13.3
187.14413	1.9
193.07082	18.7
199.04256	9.7
203.11913	0.6
209.08099	100.0
210.08350	0.7
215.13954	0.8
217.11833	1.6
241.05327	17.2
310.18134	0.6
312.10706	1.9
330.09592	1.1
330.12595	2.5
331.13773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04077	0.2
53.03930	0.3
55.05511	3.4
56.96557	0.4
57.03432	0.6
57.07079	1.7
60.02812	0.2
63.73394	0.2
64.57012	0.2
67.05509	4.7
69.06731	0.4
69.07071	4.2
71.04976	0.3
71.08628	1.2
71.51749	0.3
71.52142	0.2
74.06079	0.4
77.01591	0.4
79.05488	2.7
81.03429	0.3
81.07054	5.0
83.08623	3.5
85.06544	0.3
85.10196	0.4
91.05491	0.7
91.36640	0.3
93.07047	3.6
95.08620	3.9
97.06532	1.4
97.10171	2.4
97.87635	0.2
98.98470	100.0
100.98884	0.8
103.03991	0.2
104.99272	0.3
107.08597	2.4
109.10162	1.9
111.08094	0.7
111.11677	0.4
116.99495	1.9
119.08597	0.3
121.10148	4.9
123.11732	1.2
125.09588	0.5
135.11694	3.5
137.13258	1.2
139.01541	0.3
139.11223	0.4
140.01088	1.2
149.13257	1.5
151.14842	0.4
153.12730	0.3
163.14879	0.9
174.97710	0.5
174.99232	9.2
176.98917	4.7
178.08643	0.4
184.24858	0.3
219.21080	5.0
223.14832	0.3
230.19922	0.2
237.22154	4.4
251.00046	1.2
252.99759	1.9
255.23306	0.6
311.25836	3.0
329.06546	1.3
329.15823	0.4
329.26889	0.7
329.32410	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
53.64399	0.3
53.70844	0.3
55.01871	0.9
55.05507	1.4
57.03437	0.4
58.63987	0.3
61.02937	0.4
67.05505	2.3
68.43910	0.3
69.03426	0.7
69.07085	1.9
70.06600	1.5
71.05003	1.8
71.08630	0.6
71.38696	0.3
71.51472	0.4
71.51906	0.3
72.08171	0.6
74.39870	0.3
79.05508	3.9
81.07061	4.4
81.85374	0.3
83.04971	1.0
83.08628	1.2
84.04518	1.9
84.08187	0.6
85.02908	0.5
85.06551	13.0
86.09703	1.0
88.11287	1.4
91.01939	0.3
91.05489	2.8
93.07051	10.9
95.04987	2.0
95.08049	0.6
95.08617	4.7
97.06555	3.3
98.98476	100.0
99.04476	0.4
99.08105	0.8
100.77595	0.4
100.98897	1.0
101.00885	1.0
105.07038	3.0
106.74184	0.4
107.04966	0.8
107.08607	3.9
109.06534	2.5
109.10195	2.1
111.04462	0.3
111.08097	4.5
111.24356	0.3
112.97810	0.3
113.06020	0.6
116.99545	1.4
117.03363	0.4
117.98537	0.3
119.01939	0.8
119.04949	0.5
119.08579	2.6
120.08147	0.4
121.06529	3.7
121.10160	3.1
123.08083	1.0
123.11734	0.9
125.06000	0.9
125.09627	0.5
128.24535	0.3
130.05005	0.4
130.08641	1.0
131.08594	1.0
133.06494	0.4
133.10139	1.7
135.04434	1.0
135.08049	1.0
135.11678	0.7
137.05989	1.5
137.09627	0.9
138.06332	0.5
139.07556	9.7
140.01108	0.4
141.09138	0.5
143.07040	0.7
143.08578	0.7
145.02853	1.0
145.10136	1.2
147.08084	0.6
147.11705	1.0
149.09633	0.9
149.13278	3.4
151.03941	0.4
151.07600	1.3
151.11278	0.5
153.09155	0.5
154.12259	2.2
155.08612	0.4
155.10649	0.9
157.08629	9.6
157.10033	0.8
159.08081	0.7
159.11694	2.4
161.09622	0.7
161.13231	0.4
163.03925	3.0
163.07503	0.4
163.14763	0.4
165.09225	1.0
167.07030	0.9
167.14328	2.4
169.08824	0.4
169.10196	0.6
171.11664	0.4
171.14867	0.5
171.29314	0.4
173.09682	0.4
173.13329	1.1
174.99242	9.9
175.07466	0.4
175.11301	0.4
176.98926	4.0
177.05525	1.0
177.12801	1.0
180.00594	0.7
181.08604	0.4
183.10239	0.4
187.14914	0.8
191.10846	0.3
195.13850	0.5
197.13231	0.7
198.01675	0.4
199.14481	0.7
200.12868	0.5
201.12767	0.7
205.15880	0.9
208.05128	0.5
211.14854	0.5
213.14815	0.7
215.14351	0.9
217.15628	0.6
219.13782	2.0
226.06212	0.4
227.07626	0.8
229.15898	0.9
233.15320	1.7
237.14891	2.6
239.14316	0.6
241.08794	0.4
247.16919	1.0
251.00063	0.7
251.16518	1.1
252.99719	2.0
254.05824	0.5
255.15866	2.4
257.15381	1.8
268.07083	0.8
269.08249	0.7
269.17590	0.5
275.16464	4.3
283.09814	0.5
283.20184	0.4
286.57477	0.4
293.17487	6.7
297.07422	0.4
301.10602	0.5
311.18542	3.7
314.04239	1.1
315.08725	1.3
329.06613	2.0
329.10284	1.4
329.21100	2.4
330.11130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01871	1.3
55.05507	2.0
60.04512	0.6
61.02919	0.6
65.03925	0.6
67.05500	3.8
68.68145	0.5
69.03408	1.3
69.07069	2.5
69.59807	3.1
69.67478	0.5
70.06604	4.3
71.05005	0.8
72.08155	1.2
77.03954	0.5
79.05500	4.4
81.03413	0.9
81.07059	7.5
83.04978	1.2
83.08603	1.6
83.81713	0.6
84.04520	1.2
84.08139	5.0
85.06547	22.1
86.09708	2.8
91.05496	3.9
93.03411	0.6
93.07048	17.5
95.04973	2.7
95.08613	7.3
97.06539	5.9
98.98470	100.0
99.08115	1.5
100.98853	0.7
103.05454	2.4
105.07057	3.3
107.04953	1.8
107.08615	3.4
109.06514	4.1
109.10191	2.7
110.07162	0.9
111.04453	2.3
111.08086	6.8
116.98658	0.5
116.99490	1.2
117.03395	2.0
117.07028	1.4
119.08604	3.8
120.08135	0.8
121.06507	4.8
121.10155	4.6
122.03585	0.6
123.08076	1.8
125.06008	2.1
129.10249	2.0
131.04938	3.9
131.08591	2.0
133.06493	0.8
133.10115	3.0
135.04417	0.9
135.08078	1.2
135.11679	1.3
137.05983	8.6
137.09628	2.0
139.03900	1.1
139.07547	14.0
139.08627	0.8
141.05458	0.7
141.09126	1.5
143.07062	1.0
143.08521	0.8
145.02858	3.6
145.06467	1.5
145.10156	1.7
147.04395	1.1
147.08072	2.0
147.11682	1.1
149.05981	1.4
149.09639	1.6
149.13252	4.8
150.06792	1.2
151.03949	3.3
151.04990	0.6
153.05469	1.7
153.09151	0.7
155.08290	0.5
155.10703	1.2
157.08611	17.3
157.09991	1.4
159.08055	0.8
159.11714	4.6
161.05989	3.1
161.09619	1.9
161.13341	0.6
163.03903	2.3
163.07523	1.5
165.06995	0.6
165.09166	1.8
167.07130	0.8
167.14258	3.2
173.11856	0.7
173.13277	1.5
174.99236	9.5
175.07582	0.8
175.14833	0.7
176.98927	5.1
177.05469	9.7
177.09129	1.4
177.12776	1.8
179.10698	0.7
181.06537	1.6
183.11664	1.0
187.07532	0.9
189.05537	1.0
191.08583	0.9
195.08076	0.7
195.13858	1.6
198.06818	0.6
201.12730	0.9
205.08653	1.9
205.15950	0.6
208.05240	0.9
209.05959	1.2
210.02028	0.6
211.14912	1.0
213.09193	0.9
213.14767	1.0
215.14273	0.7
219.08089	2.1
219.13795	3.9
223.07617	0.9
226.06297	1.2
229.15906	1.9
231.17471	0.7
233.15327	2.9
237.05525	1.1
237.14876	3.7
238.06221	0.7
241.08693	0.9
243.06612	0.7
247.07584	1.3
247.17001	2.0
249.18526	1.0
250.99995	1.1
251.07040	0.8
251.10645	0.8
251.16464	3.1
252.99834	1.8
255.15916	5.5
257.15399	3.1
265.18011	0.7
266.07043	0.7
269.08191	3.5
269.17493	0.7
275.07617	1.8
275.16461	7.9
279.10257	1.8
281.07687	0.8
290.08228	0.8
293.17484	9.4
293.20520	0.8
296.08029	1.0
297.07581	2.4
301.10867	0.7
305.08704	1.2
311.09494	0.5
311.12869	2.3
311.18475	6.4
314.04578	0.6
329.06558	1.0
329.10291	5.7
329.13992	5.4
329.19492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1495
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
55.01867	0.3
55.05499	0.4
56.05046	0.3
58.30160	0.2
65.03944	0.5
67.05491	0.2
69.67041	0.9
70.06596	6.9
71.06939	1.6
72.08156	1.7
73.08479	0.2
74.06088	0.2
79.05487	0.2
83.04993	0.6
84.04505	0.4
84.08151	1.9
85.02917	0.3
86.09715	3.3
87.10035	0.2
88.03989	0.4
89.04872	0.2
91.05488	24.1
93.07068	0.4
95.04992	0.3
98.20826	0.3
98.98473	46.3
100.98911	0.4
103.05482	0.9
105.07074	0.4
107.04950	2.3
109.06547	1.0
110.07185	0.4
116.07109	0.4
116.99517	0.8
117.03414	0.3
117.07018	0.3
118.06535	1.4
119.04951	16.2
119.08607	0.7
120.08110	9.8
121.06490	1.7
127.08702	0.3
128.05017	0.3
129.06984	0.2
129.10240	1.0
131.04916	0.3
132.08069	0.4
135.04466	0.3
136.07585	100.0
137.05981	1.4
137.07910	0.5
141.10155	0.3
143.08563	0.3
145.02864	0.6
146.06018	1.3
147.04436	0.7
147.08081	0.8
149.05963	0.5
153.05458	0.3
154.26054	0.2
164.07008	0.2
166.08646	5.0
166.09975	0.4
170.13730	0.3
174.99240	4.6
175.07565	0.2
176.98932	2.2
177.05482	0.9
184.15271	0.3
185.16527	0.3
189.09135	0.6
201.12424	0.3
206.08182	1.0
207.10228	0.6
210.02411	0.3
212.14771	0.3
215.13910	0.4
216.14276	0.5
229.15463	0.5
230.15808	1.1
236.08406	0.2
251.00084	0.4
252.99767	0.8
265.09106	0.2
283.14478	0.9
284.13004	0.6
297.09631	0.7
298.10324	0.9
312.12277	1.3
329.11887	1.9
329.15100	5.4
329.22656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.42244	0.3
55.01878	2.2
55.05512	1.1
56.05038	0.7
57.03447	0.6
57.07061	0.4
59.05001	1.2
61.78798	0.3
65.03934	1.1
67.05507	5.8
67.08289	0.3
68.02651	0.9
68.99792	0.9
69.03438	4.4
70.06594	8.2
70.06965	0.6
71.01355	0.6
71.04995	1.0
71.06927	1.0
71.17870	0.6
72.08156	4.2
73.02925	1.0
73.06573	0.3
74.06085	1.0
75.04459	0.4
77.01596	0.4
79.05492	8.5
81.03417	4.1
81.07058	42.8
83.01339	0.5
83.04991	1.2
84.04508	1.5
84.08142	3.5
85.02911	1.5
85.06548	5.2
86.09700	5.1
87.00848	0.6
87.04473	1.4
87.10060	0.4
88.04005	0.4
91.05484	10.7
93.07046	6.3
95.01318	0.5
95.04976	1.4
97.02895	7.3
98.98469	100.0
99.04450	0.8
100.98895	0.6
101.02382	1.2
101.06013	1.5
103.05463	0.8
105.07027	0.7
107.04953	0.5
109.06521	27.2
109.93978	0.3
110.07159	0.6
111.04443	18.2
113.05984	0.5
115.03954	0.8
115.05453	0.5
116.07120	0.9
116.98701	0.5
116.99466	1.7
117.07026	0.5
119.04942	6.0
119.08623	0.4
120.08120	3.1
121.06519	0.7
125.02357	4.3
127.03934	0.5
127.07560	4.9
129.05487	6.8
129.10255	1.4
130.05017	0.6
131.04919	0.6
133.02812	0.4
133.06488	0.3
135.04420	0.5
136.07573	8.4
136.08569	0.6
137.05980	48.9
138.06305	0.4
139.03926	0.6
140.08165	0.3
143.03438	0.7
143.04897	0.4
146.05959	0.4
147.04379	0.4
149.06050	0.6
151.03912	0.5
155.07033	3.1
157.04942	2.6
158.99615	0.3
160.05232	0.5
161.05994	0.7
163.03891	0.6
163.07594	0.4
164.07132	0.5
165.06944	0.4
166.08687	0.5
167.07054	0.5
167.10677	0.9
169.13403	0.4
170.13734	0.5
171.15038	0.4
173.08102	1.1
174.99226	10.9
175.06038	1.9
175.07576	1.7
176.98935	5.6
177.05475	0.9
187.07536	1.1
198.13194	0.7
199.14316	0.4
207.04703	0.5
207.10031	0.4
208.05124	0.3
211.07558	0.4
219.08087	0.3
223.07474	0.5
225.05693	0.5
251.00073	0.9
251.07103	0.4
252.38516	0.3
252.99788	1.8
269.10196	0.9
279.10236	0.9
283.11807	1.0
285.11325	1.1
297.09711	0.4
299.09158	0.6
299.12894	0.5
301.12961	3.5
311.12457	0.7
312.12473	0.5
329.12192	8.5
329.15671	6.1
329.22327	0.7
338.92245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0656
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
52.64619	0.2
53.00306	0.4
53.46499	0.2
55.01860	0.3
55.05490	0.2
61.78751	0.2
66.01083	0.2
68.99789	1.0
70.04456	0.7
82.00546	0.4
88.82111	0.2
91.01888	0.3
95.28404	0.2
97.10186	0.4
98.17267	0.2
98.20808	0.2
98.98468	11.7
107.08594	0.2
108.08933	0.3
115.05450	1.0
120.74592	0.2
121.06487	0.6
123.00787	0.8
124.01564	0.7
125.02354	1.0
125.09615	0.3
129.06984	0.2
130.28714	0.2
134.03630	3.1
136.01526	0.3
143.04968	0.3
145.02853	0.3
149.05988	0.5
151.00270	0.5
152.01038	0.5
153.01852	0.6
155.04929	1.4
157.06493	0.3
169.06447	0.2
171.04442	0.5
174.99159	1.2
175.03900	2.0
176.99001	0.6
177.01857	0.6
180.00542	21.9
181.01331	15.6
183.04460	1.4
183.79767	0.2
185.06000	0.6
190.11609	0.3
193.01346	0.3
195.04431	0.3
197.05823	0.3
198.01611	7.9
200.04776	0.3
211.03972	1.2
213.05457	1.1
215.06970	0.3
223.03935	0.3
225.05518	0.5
228.04144	0.4
229.04903	0.5
230.05806	0.4
239.03355	1.2
241.04991	3.7
243.06624	0.3
252.04227	0.3
253.04999	0.4
257.04477	1.4
258.05234	0.7
267.02829	0.7
268.03644	0.4
269.04459	10.4
271.05988	1.8
273.07544	1.2
276.20468	0.3
285.03928	0.3
286.04703	0.8
296.03159	1.9
297.03949	5.9
301.07132	0.6
311.05515	0.3
313.03452	0.9
314.04221	8.1
329.06555	100.0
330.06683	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.68458	0.3
56.20533	0.3
58.63351	0.3
67.16267	0.3
68.99824	0.4
69.59911	0.3
70.84656	0.3
78.84526	0.3
98.21510	1.0
98.98472	51.0
100.98903	0.4
115.05521	0.3
116.99526	0.7
131.04933	0.5
135.04430	0.5
139.00310	0.5
140.01093	0.4
145.15010	0.3
148.05179	0.6
156.05734	0.5
159.04509	0.4
160.01587	0.9
160.05167	0.5
161.05948	0.3
174.06790	0.7
174.99222	5.3
175.03943	1.3
176.98958	3.0
178.02647	0.4
184.05156	0.6
185.00894	0.3
185.06038	0.7
186.06764	0.4
187.03915	0.4
188.04675	0.7
208.03792	0.5
212.04642	0.6
213.05579	0.5
215.03401	1.0
230.05885	0.7
240.04276	0.5
241.04846	0.4
243.02979	0.8
244.03728	0.6
251.00070	0.7
252.99715	1.0
255.02927	3.1
258.05231	1.9
268.03650	0.6
271.02374	18.1
272.50372	0.3
283.02423	0.9
285.04037	1.0
286.04779	1.2
296.03082	4.8
299.01877	20.7
301.07117	0.5
311.05447	0.5
313.03342	0.4
314.04218	70.0
315.04678	0.6
329.06561	100.0
330.06769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0656
Annotation	Aflatoxin Q1
Peak:m/z	Relative Intensity
53.03948	0.4
55.01854	0.3
55.05502	0.4
67.01868	0.7
67.05497	0.5
69.07071	0.4
69.86487	0.6
69.86880	0.7
70.06593	0.3
71.04969	0.3
76.24144	0.3
77.01594	0.3
77.03943	0.4
78.52811	0.3
79.01344	0.3
79.01843	0.4
79.05497	0.5
79.23907	0.3
81.07046	0.7
89.03902	0.7
91.05492	1.1
93.07048	1.0
94.07385	0.3
95.04976	0.6
95.08596	0.5
97.06526	0.6
98.98471	100.0
100.98896	0.8
103.05489	0.6
105.03394	1.7
107.08599	0.5
109.10150	0.5
116.99528	1.4
117.03376	1.7
118.03738	0.4
119.08591	0.5
121.02845	0.3
121.06505	3.6
121.10112	0.5
122.06871	1.1
137.05960	0.5
138.09167	0.3
140.01089	0.9
141.07011	1.4
145.02847	2.9
145.06552	0.3
146.03174	1.0
148.07538	0.4
149.05972	0.6
151.07494	0.4
152.06223	0.8
153.07072	1.3
169.06506	6.2
174.99232	9.1
175.00696	0.6
176.01088	0.9
176.98936	4.5
177.05489	4.1
178.04546	0.3
178.05806	1.7
179.03416	0.4
181.06488	1.7
184.05232	0.4
187.20128	0.3
194.02126	1.1
195.11714	0.3
197.05998	5.5
209.05969	0.5
212.04768	0.3
225.05492	11.0
233.05829	0.4
240.04332	0.4
250.06068	0.4
251.00063	1.2
252.99683	1.7
253.04980	5.2
259.59485	0.9
260.09628	3.7
260.59769	0.8
265.08417	0.4
268.03619	2.6
281.04465	29.0
282.04910	0.6
283.24200	0.5
296.03186	5.1
298.42743	0.3
311.05505	87.6
312.05853	1.1
321.11322	0.3
325.10773	1.0
326.11063	0.8
329.06537	0.8
329.10135	0.3
329.21237	0.6
329.24951	0.6
342.13287	0.6
343.13510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0658
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
52.19846	0.3
52.85844	0.3
53.00323	0.4
55.05513	0.7
66.01065	0.3
67.05505	1.6
68.99784	1.4
69.07070	0.8
70.52212	0.8
79.05495	0.9
81.07043	2.0
84.08145	6.0
89.03918	0.4
91.05499	0.5
93.07054	1.1
95.01336	0.4
95.08622	1.9
97.02898	0.5
98.98473	92.4
100.98935	0.8
105.07037	0.5
107.08575	0.7
109.10184	0.8
115.05456	0.7
116.99509	1.6
119.04932	0.5
119.08590	0.7
121.06506	0.7
121.10112	0.7
123.00812	1.1
124.01581	0.7
130.08673	0.5
133.10132	0.4
134.03636	3.1
135.39363	0.3
139.01498	0.3
140.01071	1.3
145.02797	0.5
147.11604	0.4
149.06004	0.6
151.00244	0.6
151.03864	0.3
152.01048	0.6
153.01891	0.6
155.04953	0.8
163.03711	0.3
169.06441	0.3
174.99243	10.7
175.03893	2.1
176.98935	4.6
177.02048	0.4
177.05463	0.7
180.00551	21.7
181.01329	15.6
183.04413	1.0
185.05988	0.5
187.07611	0.3
197.05949	0.4
198.01611	13.7
211.03920	0.8
213.05441	0.5
221.66434	0.3
229.04901	0.4
239.03348	0.7
241.04988	2.3
251.00044	1.2
252.99716	1.6
257.04602	1.7
258.05347	0.6
261.22272	0.4
266.24847	0.7
267.02811	0.5
269.04468	5.1
271.06036	0.6
272.22803	0.3
273.07535	1.2
275.20279	0.3
276.20407	0.4
279.23087	1.6
281.86118	0.3
285.04248	0.3
286.04767	0.5
296.03140	2.0
297.04010	2.9
297.24088	0.4
299.05505	0.5
301.07187	0.6
311.05508	0.4
313.03397	0.6
314.04205	10.4
329.06561	100.0
329.27905	1.2
330.06848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0659
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
53.00312	0.4
55.01877	0.5
55.05514	0.4
66.01088	0.3
67.05511	0.5
68.99812	1.0
69.07070	0.6
69.28443	2.2
70.06571	0.3
72.28428	0.3
77.01623	0.3
79.05514	0.6
81.07070	1.6
82.00587	0.4
83.08660	0.3
84.80691	0.3
85.02961	0.3
86.09709	0.4
89.03928	0.5
91.05486	0.9
93.07066	0.8
95.05006	0.6
95.08635	1.1
97.02897	0.2
97.06580	0.3
97.10149	0.3
98.98480	100.0
100.98895	0.9
105.07040	0.5
107.04964	0.4
107.08643	0.4
109.10153	0.5
115.05466	1.1
116.42925	0.3
116.98805	0.2
116.99521	1.8
117.03362	0.3
119.04936	0.6
119.08612	0.6
121.06508	0.9
121.10163	0.2
123.00806	0.7
123.04452	0.4
123.11732	0.3
124.01624	0.5
125.02373	0.4
129.07042	0.4
131.08578	0.7
133.02866	0.6
133.10164	0.4
134.03702	1.8
135.04474	0.3
136.01579	0.3
136.07610	0.4
137.06039	0.9
137.07971	0.4
140.01099	0.6
141.07083	0.2
144.05679	0.3
145.02849	0.7
145.10231	0.4
146.29417	0.2
147.04402	0.4
147.08098	0.3
149.05995	0.8
149.13248	0.2
151.00284	0.5
151.03902	0.6
152.01041	0.3
153.01840	0.4
155.04912	1.6
157.10258	0.3
159.11763	0.4
161.06030	0.6
163.11229	0.2
171.04538	0.3
173.06049	0.4
174.99254	9.9
175.03922	1.6
176.98952	5.5
177.01714	0.3
177.05490	0.4
180.00563	14.9
181.01349	12.1
183.04454	1.4
185.05994	0.7
187.07587	0.5
195.04373	0.2
197.05975	0.6
198.01628	9.9
199.03862	0.6
200.04591	0.3
208.05244	0.5
211.03941	1.2
213.05493	0.9
213.09033	0.2
214.71498	0.3
215.03423	0.6
223.03856	0.4
225.05501	0.6
225.14084	0.2
226.06000	0.3
230.05769	0.3
239.03368	0.9
240.04228	0.4
241.05000	2.9
243.06641	0.5
250.99991	0.8
252.99821	2.1
253.05110	0.4
254.05652	0.3
257.04446	1.4
258.05286	0.8
267.02878	0.7
268.03671	0.3
269.04507	8.1
269.07983	0.7
271.06030	1.6
273.07559	1.2
275.19781	0.3
285.03915	0.4
286.04663	0.7
293.20966	0.3
296.03180	1.9
297.03998	4.5
301.07294	0.4
301.10550	0.5
311.01889	4.2
311.05457	0.8
311.09125	0.4
311.19873	0.4
313.03503	0.5
314.04272	7.4
314.07651	0.3
315.08762	1.1
329.06595	81.6
329.21234	0.9
330.06976	0.8
330.11005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0657
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03941	0.3
55.01876	3.3
63.62363	0.3
65.03938	0.3
67.05505	0.7
68.99793	2.5
69.03444	1.7
69.07063	0.5
69.61412	0.4
69.61819	1.3
70.06579	0.4
72.08124	0.3
74.96033	0.2
77.26467	0.2
79.01865	0.8
79.05503	0.7
80.97513	0.3
81.03409	1.4
81.07040	0.8
83.08634	0.2
83.58046	0.3
84.08168	0.4
86.09721	0.4
86.92364	0.3
91.05476	1.0
92.99782	0.5
93.07056	1.2
94.04213	0.4
94.07356	0.4
95.01346	0.3
95.04951	0.5
95.08611	0.3
97.02904	0.9
98.98471	95.4
99.00827	1.0
100.07610	0.6
100.98882	0.7
103.05463	0.9
105.03391	0.5
105.07049	0.7
107.04955	0.5
107.08602	0.4
109.02892	0.5
110.07180	0.4
116.99551	1.4
119.04957	0.5
119.08553	0.4
119.15714	0.3
121.02883	0.6
121.06510	4.6
121.10176	0.5
122.03635	0.3
122.06856	2.5
123.00787	1.3
131.04916	0.7
132.05707	0.5
133.02843	1.2
133.10136	0.4
134.03610	0.4
135.04411	0.5
137.02367	2.0
137.06010	0.7
137.07973	0.4
140.01106	0.8
141.01842	6.6
143.04874	0.4
145.02856	0.8
147.04385	0.3
148.05190	0.8
149.05855	0.3
150.03131	8.4
152.01100	0.4
153.01837	0.6
155.04869	0.3
159.04390	0.3
160.05301	0.4
161.02348	0.5
161.05894	0.4
163.03894	0.4
163.07530	1.3
164.07950	1.2
165.01843	39.7
166.02252	0.3
167.07016	0.5
168.00629	0.3
171.04398	0.9
174.06779	0.6
174.99243	9.9
175.07610	0.4
176.98929	4.4
177.05360	0.4
180.00462	1.7
181.01317	1.7
183.02901	19.4
184.05267	0.3
186.01524	0.3
187.03920	1.1
191.05426	0.5
191.07053	6.0
191.08800	0.3
192.07381	8.2
193.78500	0.3
196.00026	1.9
198.01581	1.9
199.03893	1.3
201.05478	0.8
202.06248	1.1
211.02444	0.7
212.04744	0.7
213.05527	0.5
214.01065	2.0
215.03496	1.6
217.05063	0.3
226.06081	0.3
227.03398	2.2
229.04924	1.2
230.05750	2.5
240.04192	0.6
241.05002	0.8
243.02840	0.6
250.99988	1.2
252.99750	1.7
255.02986	1.5
255.06570	0.4
257.04532	1.2
258.05301	0.9
268.03690	0.5
269.04535	1.3
269.07947	0.4
276.74686	0.3
283.02393	1.5
283.05502	0.3
285.03882	1.4
286.04791	2.1
296.03149	6.8
296.06317	0.5
297.03952	1.4
297.07355	0.5
301.03320	0.4
301.06973	0.3
301.10681	0.4
311.01947	39.2
311.05502	6.4
312.02203	0.7
313.03412	3.4
314.04224	40.8
329.06555	100.0
330.07089	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09129	0.8
53.03951	1.6
54.16474	0.8
55.01849	0.7
55.05510	6.2
57.03430	1.8
57.07093	1.0
61.44572	0.7
65.03931	1.5
65.81383	0.7
67.05141	0.9
67.05505	17.4
69.03433	1.1
69.04008	0.8
69.07071	11.4
69.71780	1.7
69.72192	3.5
71.04986	1.7
71.08620	1.0
79.05499	11.5
79.08586	0.7
81.03402	1.9
81.07059	21.2
83.04986	2.2
83.08620	3.6
84.04484	0.7
85.06542	1.1
85.10165	1.0
91.05478	11.2
93.07053	12.5
93.26226	0.8
95.04973	3.6
95.08611	10.8
97.06538	4.4
97.10175	2.2
98.09686	1.5
98.98473	100.0
99.98862	0.9
105.07031	7.9
107.04969	0.9
107.08600	7.4
109.06512	2.5
109.10183	3.1
111.08134	1.2
113.06734	0.9
116.98663	0.8
116.99525	1.5
117.07001	3.7
119.08584	8.8
121.06509	1.9
121.10156	6.1
123.08092	2.4
123.11713	2.1
125.09626	1.8
129.06995	1.0
130.93341	1.5
131.08578	3.7
133.10123	5.4
135.08049	1.3
135.11693	6.4
137.06004	2.2
137.09709	1.3
143.08589	1.0
145.10120	3.9
147.11661	4.4
149.09645	2.0
149.13312	1.6
157.10225	0.9
159.11708	2.9
163.11240	1.6
172.94365	3.8
173.13300	2.5
174.99255	8.2
175.99568	1.9
176.98949	4.1
177.12723	1.3
181.12228	4.3
185.13217	0.7
189.11226	1.0
190.95383	2.9
195.13799	3.4
212.16557	1.0
227.58871	0.8
232.96463	5.2
250.97668	2.1
252.99834	1.4
255.98154	0.9
275.20056	11.0
287.40356	0.8
293.21033	1.3
328.15289	3.9
328.18539	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	329.0654
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
51.12427	0.3
53.00306	0.4
56.97140	0.4
68.99786	1.8
71.21555	0.7
72.78891	0.4
82.00562	0.9
95.11026	0.4
95.23758	0.4
98.98468	33.1
105.19133	0.5
112.01566	0.4
121.06524	0.4
122.00015	0.8
123.00811	0.7
124.01554	1.0
129.06949	0.4
134.03647	4.4
136.01544	0.4
144.61572	0.4
151.03909	0.6
152.01094	1.0
155.04893	0.6
174.99205	3.4
175.03949	0.6
176.98950	1.6
180.00534	47.8
181.01309	10.3
183.04466	0.6
198.01598	20.4
211.03867	0.8
212.38158	0.4
239.03502	0.5
240.04143	0.7
241.04973	2.3
252.99734	0.5
257.04300	1.3
258.05038	0.5
267.02832	0.8
268.03604	0.7
269.01581	0.7
269.04453	11.1
271.05988	0.8
283.06104	0.7
286.04645	0.4
296.03119	5.9
297.03934	7.1
311.05466	7.3
313.03214	0.6
314.04202	23.5
329.06543	100.0
330.06894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05515	15.0
57.03443	2.9
67.05511	38.4
69.03429	2.8
69.07070	10.8
70.62505	1.4
70.62833	2.2
71.04999	3.6
72.47851	1.1
74.00312	1.5
76.66643	1.3
77.03980	1.4
79.05499	30.6
81.03424	3.7
81.07060	24.7
83.04976	3.6
83.08618	8.4
85.06553	1.7
87.10080	1.1
91.05487	18.2
93.07049	23.9
95.04983	10.4
95.08610	16.5
97.06538	3.1
97.10163	6.1
98.98475	100.0
105.07036	14.8
107.08594	18.6
109.06509	4.3
109.10163	21.6
111.08098	3.2
117.07037	3.8
119.08589	14.5
121.06581	1.5
121.10149	14.2
123.08151	1.5
123.11723	2.6
125.09634	4.8
129.06990	1.5
131.08569	5.9
133.10139	9.5
135.08040	3.0
135.11726	2.7
137.09651	9.9
139.11176	2.0
143.08493	1.5
145.10170	5.7
147.11688	3.8
149.09674	2.1
149.13281	1.5
151.11212	1.4
152.00555	1.2
155.10654	6.0
159.11702	3.2
161.13365	1.3
171.11720	2.4
172.13344	1.6
172.94345	5.2
173.11752	11.8
173.13197	2.7
174.99261	10.0
176.98921	3.0
183.11700	1.7
189.11235	4.8
189.12814	1.6
190.95445	4.5
193.12254	2.1
211.13359	3.5
212.67720	1.2
214.95389	1.6
224.10358	1.1
232.96500	5.8
250.97511	2.3
251.00078	1.4
257.19089	2.1
262.94070	1.4
270.19922	1.2
275.20068	10.8
293.21072	2.1
325.38873	1.3
328.15375	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01877	1.6
55.05514	9.2
56.96570	1.8
57.03447	1.0
59.04988	1.1
67.05507	19.4
69.03420	0.9
69.07068	6.5
71.04981	2.6
79.05499	21.1
81.03418	2.2
81.07064	13.3
83.04974	1.8
83.08618	5.4
85.06554	1.1
91.05482	13.1
93.07046	17.8
95.04998	5.0
95.08620	10.7
97.10156	4.5
98.21514	2.7
98.98473	100.0
105.07037	7.3
107.08593	7.2
109.06483	1.2
109.10160	9.6
111.08070	2.1
112.92361	0.8
115.05477	0.8
116.98647	1.0
116.99471	2.0
117.07016	2.0
119.08589	6.6
121.06517	0.8
121.10162	13.2
123.08117	0.9
123.11716	2.2
125.09641	3.5
127.36645	0.8
129.07040	1.3
130.93292	3.2
131.08571	2.7
133.10130	4.5
135.08034	1.0
135.11731	2.1
137.09604	3.3
139.11194	1.4
140.01103	1.3
145.02937	0.9
145.10138	1.9
147.11681	3.4
149.09648	1.9
153.09018	1.2
154.93307	1.0
155.10652	3.6
157.10085	0.9
159.11699	2.6
161.13286	1.0
163.11177	1.6
171.11763	1.0
172.94373	8.8
173.11790	7.7
173.13177	1.6
174.99242	8.5
175.17200	0.8
175.99582	1.8
176.98924	2.7
177.05464	2.2
189.11218	2.5
189.12729	0.9
190.95416	9.4
207.42670	0.9
208.96431	2.1
214.95372	2.1
232.96446	9.4
248.58815	0.9
248.96526	1.0
250.97409	4.2
252.99451	0.9
255.98082	2.4
257.19128	1.3
262.93814	2.1
273.99121	1.0
275.20071	6.9
280.94931	2.0
293.21152	1.9
298.95978	0.9
312.12225	1.5
328.15475	4.7
329.06729	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.00308	0.1
53.03954	1.0
55.01862	0.3
55.05506	0.1
58.45928	0.1
67.05502	0.2
70.06598	0.2
70.09354	0.3
70.09747	0.4
72.08160	0.3
77.03926	0.4
79.05502	0.9
81.03415	0.3
81.07051	0.2
89.03928	0.2
91.04900	0.3
91.05480	5.4
92.06291	0.2
93.07044	7.6
95.04967	1.3
95.08672	0.1
98.21531	0.2
98.98467	6.8
100.07621	1.6
102.04671	0.2
103.05466	7.6
103.35821	0.1
105.03380	0.6
105.04515	0.5
105.07034	1.6
107.04964	0.2
117.03404	0.2
118.04141	0.5
119.04938	1.4
120.05753	1.0
121.06506	35.4
122.06844	0.2
131.04932	0.4
132.05722	2.4
133.02864	1.2
133.06496	1.5
135.04445	0.1
135.08075	0.3
136.07545	0.3
137.06029	0.2
138.90775	0.1
145.02867	0.3
146.03639	0.4
147.04391	1.0
148.05191	7.2
150.06761	1.0
152.04715	0.2
160.05208	2.1
161.06000	0.6
163.07544	18.1
165.09119	0.4
172.64073	0.1
174.99237	0.6
175.06194	0.1
175.99568	0.2
176.04695	2.3
177.05447	0.3
190.08678	0.3
191.07031	100.0
192.07350	0.7
208.09659	0.4
212.20169	0.2
252.99707	0.2
262.02444	0.1
282.08139	0.2
311.01840	1.0
328.15442	23.5
328.29495	1.3
329.15540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01860	5.4
55.05514	44.8
57.03434	1.3
59.04996	1.3
67.05505	19.2
69.03436	6.6
69.07072	26.7
70.01122	6.1
79.05496	24.4
81.07056	21.6
83.04971	3.5
83.08167	1.8
83.08625	31.8
85.06538	2.1
91.05484	12.2
93.07050	10.8
95.04967	1.6
95.08604	11.6
96.38314	1.5
97.06527	3.9
97.10176	63.9
98.98472	100.0
105.07032	16.1
107.04958	2.7
107.08604	71.4
109.06531	2.8
109.10144	4.9
111.08064	2.3
116.99464	2.5
117.07010	2.9
119.08578	7.5
121.10164	2.8
123.08062	1.7
123.11754	2.7
124.11239	1.6
125.09641	51.1
127.16908	1.5
131.08545	2.6
131.68404	1.3
133.10139	10.1
135.08051	5.3
135.11658	2.7
143.10695	4.6
145.10135	7.5
147.11681	7.6
149.09639	9.8
151.11185	1.3
153.09108	4.7
157.10081	2.5
158.12106	1.3
159.11697	3.7
161.13202	3.9
163.11191	2.0
165.09117	1.4
171.10223	9.0
171.11577	2.1
172.94380	4.8
173.13258	3.3
174.99234	12.9
175.99524	1.8
176.98883	2.5
179.14291	3.0
180.00610	3.0
181.12338	3.0
182.61220	1.5
187.11217	1.8
189.11224	81.9
190.95334	2.1
197.13266	1.3
232.96458	5.2
239.17900	2.0
250.97464	2.4
257.19000	10.4
275.20084	88.5
280.04492	1.3
293.21002	11.8
298.72183	1.6
314.04474	1.6
328.15396	4.7
329.06570	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	328.1542
Annotation	(-)-Govadine
Peak:m/z	Relative Intensity
51.02385	0.2
53.03942	0.9
55.01866	0.4
61.22819	0.2
68.17262	0.2
70.56644	0.4
77.03924	0.3
79.05486	0.8
85.21185	0.2
90.14928	0.2
91.05480	5.7
93.07043	8.0
95.04955	1.3
98.98474	1.6
100.07619	0.6
102.04680	0.3
102.62442	0.2
103.04803	0.4
103.05469	6.8
105.03371	0.5
105.04509	0.7
105.07026	1.3
118.04199	0.2
119.04925	1.3
120.05769	1.1
120.06493	0.2
121.06505	36.0
130.04147	0.2
132.05708	2.1
133.02844	1.2
133.06503	1.3
135.08051	0.4
136.07552	0.3
146.03601	0.4
147.04413	0.8
147.35150	0.2
148.05186	6.0
150.06766	0.9
151.07448	0.2
160.05183	2.1
161.05968	0.6
163.07545	17.1
165.09068	0.3
176.04689	2.4
191.07030	100.0
192.07414	0.7
193.58856	0.2
208.09698	0.6
209.41530	0.2
211.80330	0.2
214.24791	0.2
248.92610	0.2
328.15436	27.4
329.15784	0.5
337.62451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91276	0.3
53.03939	0.5
54.31225	0.3
55.61396	0.3
69.80402	0.6
69.80789	0.8
71.99914	0.3
79.05500	4.1
81.07122	0.3
89.03915	3.6
91.05499	1.6
93.07044	0.5
95.04942	0.6
98.98469	13.1
103.05463	3.8
105.07036	15.0
106.04198	0.5
107.04942	0.4
107.08568	0.5
117.03381	16.7
118.30568	0.3
120.05735	2.3
121.06503	0.8
130.01173	0.3
134.03627	1.3
135.04440	0.7
135.08055	40.0
136.07579	0.4
145.02847	46.9
146.03191	0.3
149.05968	4.8
158.06027	0.4
163.03854	0.6
174.99181	0.8
175.99615	0.4
177.05473	100.0
178.05829	1.1
186.05551	1.3
191.07024	0.8
193.16321	0.4
214.03172	0.3
218.27739	0.4
240.45244	0.3
247.55693	0.3
259.59497	0.6
281.16357	0.3
328.15442	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	328.1178
Annotation	Terrestriamide
Peak:m/z	Relative Intensity
53.03920	0.4
55.05521	0.6
58.61435	0.3
59.95986	0.3
63.02371	0.5
67.05513	0.8
69.03441	0.7
69.07073	0.9
70.06607	0.5
71.08643	0.4
71.51147	0.3
71.51601	0.5
79.05495	0.7
81.07056	1.4
84.08144	0.4
89.03924	6.0
91.05493	2.1
91.27346	0.3
93.07040	0.9
95.04952	0.4
95.08601	1.1
98.41612	0.3
98.98471	13.4
103.05505	0.3
106.04153	0.6
107.04997	1.7
107.08588	0.4
109.10166	0.5
111.08105	0.4
117.03385	22.5
119.04945	1.4
120.08085	0.4
130.03214	0.3
133.02844	0.4
134.03641	1.4
135.04411	3.0
135.11766	0.4
136.07605	0.4
137.05980	1.2
145.02850	55.0
149.05983	8.0
149.07137	0.5
151.07536	1.7
163.03896	2.0
174.99229	1.4
175.99619	0.4
177.05475	100.0
178.04951	0.9
186.05557	1.0
219.79326	0.3
252.03149	0.4
292.97263	0.3
328.11752	2.4
328.15384	0.5
328.18857	0.4
329.06827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05513	1.3
56.05030	1.9
56.96567	1.3
57.03430	2.6
58.30876	0.8
59.03749	1.6
59.05000	0.9
63.00771	0.9
69.03436	10.1
69.07061	1.0
70.06593	15.4
70.17863	3.6
71.04989	1.2
72.08158	5.5
74.06097	1.3
76.63057	0.9
79.05486	1.8
81.03429	3.1
83.04971	0.9
83.06110	1.3
84.04502	4.2
84.08147	7.2
85.02911	9.4
85.06540	1.2
86.09732	4.8
87.03214	7.9
87.04409	1.6
88.03978	1.7
89.10855	1.1
91.05480	15.9
92.05824	0.9
93.07057	0.9
96.04573	0.9
97.02900	13.7
98.06052	1.2
98.98474	90.1
99.04447	3.1
101.02372	1.0
102.05568	1.7
103.05466	8.9
104.73666	0.9
105.04458	1.0
105.07037	9.5
107.04969	3.9
109.02881	1.5
110.07182	5.0
112.03985	7.2
112.07611	1.0
112.08748	1.0
114.05527	1.0
115.05464	1.4
116.07087	2.6
116.99511	1.3
117.05663	1.1
117.07020	1.5
120.08111	53.1
121.04910	0.9
124.07623	0.8
127.03951	7.3
129.06981	2.1
129.10217	3.0
130.06540	5.5
131.04945	4.0
132.08099	40.6
134.06049	1.0
134.09656	2.8
136.07603	1.1
137.05978	2.4
138.05423	0.9
143.05785	5.0
143.08589	1.2
144.08095	7.8
145.04935	1.3
149.05988	0.9
149.08105	1.2
152.07027	1.2
156.08054	3.4
158.65131	1.2
161.06882	3.2
162.07863	1.0
162.09061	4.4
163.03897	1.2
164.05643	1.0
166.04973	1.5
166.08650	24.1
166.12253	1.0
167.07375	1.0
168.08163	1.4
170.45163	0.9
170.67641	0.9
171.08020	1.6
172.94389	2.9
174.09059	1.3
174.99234	9.2
175.99553	1.7
176.99001	1.6
178.08640	9.0
181.36243	0.9
186.09164	2.1
186.12482	1.1
190.08617	0.9
190.95401	2.9
198.09109	3.6
200.10844	1.0
202.08612	3.2
208.96443	1.1
210.09096	1.9
216.10168	1.4
228.10172	1.5
232.96495	2.2
244.09610	4.5
246.11261	7.9
251.00012	1.2
252.99721	1.1
264.12326	26.6
282.13428	4.8
292.11807	37.4
310.12857	100.0
311.13174	1.2
328.04773	1.0
328.10214	2.2
328.14175	4.3
328.22290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1593
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02396	0.3
53.03947	0.4
55.01871	1.0
55.05506	0.8
55.73282	0.2
57.03424	0.6
65.03938	0.4
66.04718	0.3
67.05502	0.9
69.03452	0.6
69.07054	0.7
70.06592	0.9
71.52195	0.3
72.08160	0.4
77.01601	0.5
79.05482	2.2
80.97425	0.2
81.03418	0.4
81.07057	2.2
83.04984	0.3
83.08609	0.4
84.08145	0.7
85.02924	0.4
85.06536	0.4
86.09698	1.0
87.10056	0.3
91.05482	4.4
91.36191	0.2
93.03355	0.2
93.07029	1.2
93.07564	0.2
94.04179	1.9
95.04982	0.9
95.08613	0.7
97.06564	0.3
97.10209	0.3
98.98470	100.0
103.05470	11.3
105.04517	0.4
105.07037	6.2
107.04951	2.4
107.08607	0.6
109.06521	2.1
109.10169	0.6
110.42709	0.2
111.04438	0.3
115.05499	1.2
116.99474	1.7
117.07024	2.2
119.04976	1.0
119.08582	0.8
120.05734	0.6
120.08126	0.5
121.06499	4.8
121.10130	0.3
122.03649	5.1
123.04459	0.6
123.08076	1.6
123.11693	0.3
125.05989	0.5
128.06264	0.4
129.07014	0.7
131.04936	14.2
131.08586	0.7
133.02902	0.4
133.06500	23.3
135.08060	7.1
136.05180	0.5
137.05981	74.3
138.06313	0.3
140.01091	0.6
143.04973	1.0
143.08559	0.5
144.05692	0.4
145.02837	0.5
145.06494	5.2
145.10179	0.6
147.04411	0.5
147.08072	1.8
147.11716	0.4
149.05994	1.3
149.09607	0.8
151.03970	1.2
151.07545	8.7
155.08485	0.2
157.06467	2.3
157.10185	0.3
159.08113	0.4
160.05212	0.5
161.05981	0.7
161.09686	0.3
162.06746	0.7
163.07547	36.9
163.35983	0.2
165.09091	0.4
171.04507	0.3
171.08037	1.0
172.05067	0.2
173.06165	0.3
174.06752	0.3
174.99232	15.0
175.07545	3.8
175.11215	0.2
177.05487	0.8
177.09096	1.2
178.07802	0.5
179.08537	0.6
187.07497	1.2
188.08331	0.5
189.07227	0.4
189.09113	2.0
192.33258	0.2
194.07248	0.4
202.07838	0.7
203.07123	0.5
203.10669	1.2
206.07315	0.9
207.08105	1.4
211.07626	0.4
217.10143	0.8
218.07281	0.3
220.08839	0.7
221.09628	0.4
223.07573	0.5
234.06738	1.2
235.07558	1.4
235.11197	1.5
237.09085	0.5
240.07855	0.4
245.09666	0.7
248.08344	0.4
249.09131	1.7
251.00029	2.7
251.07112	0.5
253.08678	0.5
262.06250	0.4
263.07962	0.3
263.10678	2.9
264.11127	0.3
265.08563	0.6
267.06931	0.3
267.10129	1.7
268.07126	0.4
269.08148	0.3
273.18509	0.5
277.08618	2.9
280.10995	0.3
281.08264	0.3
283.09671	0.9
291.19565	2.4
291.26865	0.2
295.09677	1.8
295.13281	8.6
296.10321	0.2
299.12830	0.5
309.11307	0.8
312.10220	0.3
312.13693	0.3
327.08673	0.4
327.12204	3.9
327.15918	8.7
327.19882	0.5
341.96075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1228
Annotation	Eucalyptin
Peak:m/z	Relative Intensity
55.01869	2.9
56.88244	1.1
57.66535	1.1
67.31429	1.2
69.07056	1.0
79.05491	3.9
81.07041	2.1
91.05491	5.3
94.04187	1.3
98.20783	3.0
98.98478	90.2
100.11288	1.5
103.05470	8.1
105.07039	14.1
107.04987	8.0
109.06533	4.0
111.04455	1.7
115.05509	7.0
118.04122	1.0
119.04934	2.5
122.03649	2.8
122.76029	0.9
131.04944	66.0
132.05757	1.3
133.02882	7.9
133.06503	8.4
137.05988	28.9
140.01085	1.0
143.04926	3.4
145.06525	1.5
146.03641	9.3
147.04427	3.9
147.08035	1.3
149.06003	2.3
151.03926	2.2
153.07036	1.1
160.05185	2.1
161.05998	82.7
162.06799	1.8
163.03926	1.4
163.07561	3.1
165.05479	9.8
165.07005	3.0
166.07765	1.2
167.08603	1.5
171.04457	6.5
174.99225	13.3
175.07549	13.5
177.05551	6.8
177.06837	1.4
178.07790	11.4
179.08566	21.4
181.06488	6.9
182.15443	1.8
189.07004	9.1
191.07001	4.0
192.07452	3.7
193.06354	1.2
194.07335	1.8
195.08099	5.8
196.08899	4.3
203.07002	3.8
205.06537	3.9
206.07318	8.8
207.08069	33.7
208.08852	1.5
209.06001	3.5
210.06778	1.5
211.07561	1.8
215.07117	1.5
217.06516	6.1
218.07329	3.6
219.08139	1.2
221.06039	5.2
221.09602	2.2
223.07582	8.0
224.08337	12.0
225.09126	1.6
233.06036	2.7
234.06781	16.5
235.07565	37.3
236.08316	3.8
236.33307	1.2
237.05479	4.1
237.09181	2.4
238.09950	1.6
239.10703	8.5
241.08667	1.4
245.06134	2.9
247.07686	1.4
249.05510	2.5
249.09128	12.9
250.99895	2.5
251.07045	8.7
252.07874	10.1
253.08606	2.3
262.06311	7.6
263.07071	24.2
264.07843	4.0
265.08621	4.0
266.09409	3.6
267.10226	16.0
269.08051	2.0
277.08594	19.0
278.09225	1.2
279.06598	3.0
280.07346	3.5
281.08261	1.0
283.09616	2.7
284.10370	1.9
292.15698	1.1
294.08679	1.8
295.09686	100.0
296.10184	2.5
299.12900	3.8
309.11267	3.6
312.09991	1.4
327.12308	67.4
328.12744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1227
Annotation	Eucalyptin
Peak:m/z	Relative Intensity
55.01878	0.8
55.05505	0.9
56.94290	0.4
56.96565	1.1
62.54620	0.5
65.03935	0.8
67.05509	0.8
67.62448	0.5
69.03429	1.4
69.07088	0.5
69.97178	1.6
70.06590	2.6
71.04991	0.5
72.08164	4.2
77.01601	0.5
79.05493	1.4
81.03432	0.6
81.07055	0.8
84.08147	1.6
84.08968	0.8
85.02903	3.6
86.03262	1.0
86.09690	4.0
89.03933	0.7
91.03970	0.6
91.05483	3.2
93.07062	0.8
95.04982	0.9
95.08601	1.1
98.20811	0.6
98.98468	100.0
103.05447	3.5
105.03393	0.8
105.07028	5.7
107.04949	2.6
107.08596	1.1
109.06524	2.3
110.07169	0.8
111.04438	1.1
112.75444	0.5
115.05476	4.4
116.99474	1.3
117.03392	1.2
118.04226	0.5
119.04971	1.1
119.08590	0.7
120.08086	1.4
121.02867	2.4
122.03689	1.0
123.08083	0.6
129.10255	1.0
131.04930	29.6
131.08595	0.9
132.05650	1.1
133.02843	4.1
133.06506	3.4
133.10138	1.9
135.04425	1.9
137.05974	14.3
143.04916	2.0
145.02859	1.3
145.04967	1.0
146.03642	4.3
147.04378	1.4
149.05991	1.4
149.09680	0.7
151.03935	0.8
151.07452	0.7
153.05540	0.6
160.05202	1.3
161.05983	39.2
162.06747	1.3
163.03917	1.5
163.07547	1.0
165.04356	0.9
165.05489	6.1
165.06934	1.2
167.08551	0.8
171.04358	2.5
174.06642	0.5
174.99226	14.5
175.07552	7.3
177.05466	4.6
177.06879	1.0
178.05690	0.5
178.06252	0.6
178.07784	5.6
179.08542	9.1
181.06480	3.0
189.06999	3.9
190.07797	0.8
191.07051	1.2
191.08629	0.8
192.07816	3.1
194.07344	0.6
195.08038	2.6
196.08836	1.8
203.06990	2.2
205.06451	1.6
206.07307	4.7
207.08052	14.3
208.08681	0.6
209.06036	1.2
209.09552	0.6
209.11877	0.6
210.06769	0.6
214.08597	1.0
215.06906	0.5
217.06381	2.4
218.07317	1.3
219.08014	0.6
221.05907	2.1
221.09624	0.7
223.07504	3.7
223.09326	1.0
224.08339	5.2
225.09125	1.1
233.05894	0.8
234.06786	8.3
235.07556	13.9
236.08292	1.8
237.05420	1.9
237.09071	1.0
238.09869	0.6
239.10643	3.5
245.05898	1.3
247.07591	0.8
248.08440	0.6
249.05389	0.6
249.09123	5.8
251.00060	2.7
251.07062	3.7
252.07802	5.1
262.06204	1.9
263.07022	10.3
264.07819	1.9
265.08081	0.8
266.09479	0.7
267.07556	0.8
267.10196	8.4
269.08038	1.3
277.08609	7.7
279.06488	0.8
280.07300	2.0
283.08646	1.7
284.10645	0.6
294.08731	0.7
295.09656	43.4
296.10373	0.9
299.12802	1.0
309.11044	2.0
318.14169	1.0
327.12222	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	326.3055
Annotation	Oleoyl Ethanolamide
Peak:m/z	Relative Intensity
51.43275	0.4
53.07002	0.4
55.05243	0.5
55.05512	7.5
57.07076	1.6
62.06092	100.0
67.05509	5.4
69.07067	9.6
69.20750	4.2
71.08646	1.1
73.79079	0.4
79.05500	2.5
80.89008	0.4
81.07062	6.0
83.08622	5.4
85.10180	0.4
91.05491	0.5
93.07053	3.6
95.08612	5.1
97.06537	0.5
97.10172	2.4
98.21690	0.4
98.98479	1.1
107.08581	1.1
109.10157	2.0
111.08092	0.5
121.10146	2.8
123.49400	0.4
135.11703	2.1
149.13232	0.8
149.33911	0.4
151.14796	0.6
157.71558	0.4
247.24236	0.7
265.25253	0.8
268.64243	0.4
308.29398	3.2
309.27905	6.0
326.30539	30.9
330.09219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.05
Annotation	Boeravinone F
Peak:m/z	Relative Intensity
69.93173	0.3
69.93575	0.5
79.24693	0.2
81.50156	0.2
86.09663	0.2
86.70039	0.2
91.01859	0.5
98.98471	11.1
115.91248	0.2
116.99686	0.3
122.68425	0.2
141.06950	0.2
160.01558	3.9
174.99181	1.8
176.31935	0.2
178.02625	0.9
182.03598	1.6
185.05965	0.3
186.03093	0.3
195.04404	0.4
210.03145	1.7
211.66087	0.2
213.05458	0.3
214.02594	2.8
233.78159	0.2
238.02611	3.8
251.00053	0.3
251.03387	0.7
266.02106	6.3
284.03180	0.9
294.01587	23.6
309.03934	100.0
310.04160	1.1
312.02686	0.8
313.40356	0.2
327.04996	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38383	1.0
55.01862	2.4
57.03427	4.4
57.55787	1.2
58.99847	1.2
61.02901	1.6
67.23033	1.3
69.03413	2.7
69.07053	1.4
69.51722	6.5
69.52119	2.3
70.02944	8.9
70.06601	7.3
72.08147	2.4
73.02908	1.9
76.99944	1.1
78.35071	1.3
82.99844	3.0
84.08139	3.4
85.02905	3.8
86.09702	22.3
87.10031	3.9
94.99862	1.5
97.02875	2.2
98.98470	20.4
101.00885	20.9
103.09035	1.2
110.07175	3.6
111.07520	1.9
113.00868	15.8
116.24262	1.1
119.01926	20.7
128.58585	1.2
131.01918	22.1
131.03516	1.4
132.10188	1.3
132.49773	1.3
137.02901	2.3
137.06068	2.8
139.02481	2.0
143.01881	6.6
143.07274	2.3
145.08861	1.3
149.02908	2.2
153.01437	9.7
153.03194	1.4
155.01917	12.6
157.03514	13.0
160.08170	1.4
161.02972	14.3
161.08331	2.7
165.07321	1.7
167.01906	4.7
171.02525	52.5
171.04016	2.6
172.08182	5.3
173.02982	18.8
173.08365	6.6
174.99269	2.9
175.04507	3.8
182.02921	2.5
185.02939	16.0
189.03574	82.5
191.03992	2.5
191.09418	1.7
194.04134	1.5
195.02548	13.8
195.04196	2.2
207.02509	10.5
212.05223	2.1
213.03569	90.7
213.05263	4.8
214.03935	2.6
215.03835	7.8
225.03566	31.9
227.05086	6.7
231.04640	34.0
233.05061	22.0
236.05061	1.7
237.03612	7.6
243.04636	6.9
249.03676	2.7
255.04597	11.4
258.12006	2.5
258.17200	3.3
258.62048	2.3
267.04657	5.4
268.15564	1.5
274.16974	1.7
276.18546	2.4
281.10147	1.4
285.05649	3.1
286.16809	13.0
286.64230	1.3
303.06726	3.1
303.17599	4.8
304.17877	41.9
309.09497	2.2
314.66223	4.9
315.16431	1.9
322.18954	3.4
327.06741	100.0
327.10266	4.6
328.07053	2.4
345.07758	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	326.2327
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
51.78478	0.2
53.03945	0.8
55.01862	0.3
55.05513	1.7
57.07074	1.6
58.75718	0.2
65.03947	0.2
67.05511	5.1
69.03424	0.3
69.07076	9.8
71.12181	0.5
74.02432	0.5
77.03909	0.3
79.05499	18.4
80.22238	0.2
81.07061	12.0
83.04992	1.8
83.08617	1.1
84.73001	0.2
85.06567	0.3
86.09714	100.0
91.05484	6.1
93.07050	30.2
95.04984	1.2
95.08618	6.2
97.06528	2.4
98.98473	1.3
99.13687	0.3
105.04532	0.5
105.07039	3.1
107.04955	0.9
107.08605	15.2
109.06528	1.7
109.10115	0.6
115.05403	0.3
117.07018	2.3
119.08581	1.0
121.06537	0.7
121.10151	2.7
123.08098	0.8
125.05971	0.6
128.10721	2.8
130.08685	0.4
131.08592	2.2
132.10214	51.8
133.10132	6.8
135.08078	2.8
135.11700	18.5
139.07565	0.3
147.11681	0.3
149.13266	17.9
151.11226	1.9
151.14845	2.2
153.12761	2.1
156.10251	0.6
159.11697	2.1
177.12764	11.5
184.68362	0.3
188.12102	0.2
192.13863	1.5
192.88824	0.2
194.15448	0.4
195.13890	1.5
208.17052	0.8
220.95638	0.2
238.14362	1.4
253.60139	0.3
254.17554	6.1
262.21667	16.4
262.86716	0.3
263.22180	0.4
280.22714	3.1
290.21164	1.2
293.50546	0.2
308.22217	39.3
309.22424	0.5
326.23309	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	326.2328
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
51.02383	0.6
52.40673	0.5
53.03943	0.8
55.05508	2.2
57.03440	1.1
57.07069	1.3
62.03327	0.5
62.62164	0.4
67.05504	5.9
69.03402	0.8
69.07070	9.4
69.46680	3.7
71.08617	0.6
74.02448	0.7
77.03888	0.7
79.05499	19.7
81.07059	12.0
83.04980	1.2
83.08629	1.2
84.08167	0.7
86.09711	100.0
91.05477	5.4
93.07050	29.7
95.04986	1.2
95.08612	6.5
97.06537	2.4
98.20793	1.1
98.98475	35.8
99.74832	0.6
100.07624	0.7
105.04564	0.7
105.07018	3.5
107.04958	1.5
107.08603	17.0
109.06535	1.7
109.10143	1.1
110.07125	0.5
111.04433	1.1
111.08139	0.5
117.03402	0.8
117.07072	2.7
119.08587	2.0
121.06492	1.5
121.10140	3.3
123.08086	0.9
125.06003	0.6
126.09959	0.5
128.10718	2.4
131.08572	1.7
132.10213	52.9
133.10146	5.8
135.08080	3.3
135.11696	19.4
137.05975	0.8
144.99147	0.6
145.02907	1.6
145.78693	0.6
147.04538	0.5
149.13269	19.0
151.11200	1.9
151.14842	1.9
153.12770	2.0
159.11729	2.6
163.03949	1.5
164.04305	2.1
167.03421	1.2
172.87590	0.5
174.99216	4.4
177.05481	2.9
177.12743	11.2
192.13849	1.4
195.13831	1.0
206.15286	0.7
208.17143	1.4
211.02477	0.6
238.14514	1.3
241.95157	0.5
249.59920	0.6
251.00058	0.7
251.07057	0.6
254.17564	6.8
262.21664	17.8
267.10083	0.5
280.22760	2.5
290.21347	0.7
305.61780	0.5
308.22205	42.2
309.22693	0.7
326.11099	1.9
326.19766	1.1
326.23294	7.6
327.08710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2328
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
53.03967	1.2
55.05510	2.5
57.07065	1.7
65.75499	0.9
67.05515	5.3
69.03432	1.1
69.07078	9.8
70.09827	2.1
71.04987	0.9
72.08148	1.5
78.22354	1.0
79.05504	16.5
81.07063	13.7
83.04977	1.8
83.08633	1.3
86.09714	100.0
91.05491	7.8
93.07054	30.8
95.04987	1.5
95.08629	7.6
97.06534	1.6
98.21483	1.0
98.98475	81.3
105.07034	3.1
107.04964	1.5
107.08606	16.3
109.06512	1.3
109.10165	1.1
116.99518	1.5
117.07047	2.3
119.08594	3.2
121.10133	5.0
125.06043	1.1
128.10735	3.0
131.08588	2.7
132.10213	52.0
133.10135	4.8
135.08043	2.6
135.11710	18.6
137.06012	2.4
140.01091	1.0
149.13271	18.8
151.11188	1.0
151.14819	2.5
153.12784	2.1
159.11674	2.1
163.03941	2.6
163.07593	2.0
164.04297	3.6
174.99246	14.4
177.12772	9.9
191.07062	6.0
192.13844	1.8
206.06958	1.2
208.17035	1.5
222.06519	1.3
230.14401	0.9
234.06387	0.9
238.09305	1.2
238.14372	1.0
239.07184	1.3
240.07510	1.4
250.99994	2.9
251.06609	1.1
254.17537	6.8
262.21683	16.4
280.22681	2.5
290.21219	1.1
294.08490	2.2
296.06351	3.1
308.09933	2.5
308.22211	44.0
311.05078	1.2
326.07532	6.4
326.10275	6.1
326.14206	1.7
326.23456	10.6
327.12317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
55.05515	9.2
57.03439	0.7
57.07067	1.2
59.68906	0.5
67.05183	0.6
67.05505	6.0
69.03423	1.3
69.07069	6.5
71.08634	12.1
71.37808	0.9
78.79580	0.5
79.05497	4.9
81.03410	0.5
81.07056	7.9
83.04980	1.3
83.08628	3.6
91.05450	2.6
93.07061	4.9
95.04994	2.8
95.08610	3.7
97.06499	0.9
97.10168	6.3
99.08101	6.8
105.07031	1.7
107.04929	1.8
107.08610	4.8
108.05754	0.9
109.06493	1.4
109.10132	1.7
117.06987	0.6
119.08583	1.3
121.06503	4.4
121.10123	1.1
123.08061	1.2
125.09635	5.7
131.08559	1.0
133.10115	0.7
135.08022	2.0
135.11665	0.9
145.10146	0.6
147.11636	0.6
149.13242	0.5
151.11198	1.1
153.12706	0.6
159.11717	0.9
163.03838	1.0
163.11201	0.5
164.11945	1.1
165.12773	1.5
175.14966	0.6
177.12762	2.4
195.13895	0.7
203.12781	2.4
206.98929	0.6
219.13927	0.5
231.46310	0.5
237.14742	0.7
257.18967	0.8
275.20078	5.7
293.21106	100.0
294.21262	0.9
307.22696	14.0
311.98816	0.5
325.21310	0.6
325.27325	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27252	0.1
53.03917	0.2
55.01848	0.1
55.05485	0.2
56.96546	0.1
59.04971	0.2
67.05478	0.2
69.03400	0.2
69.07025	0.1
70.06567	0.4
71.18525	0.1
72.08138	0.2
79.05502	1.0
79.94137	0.1
81.07005	0.4
81.14388	0.1
84.08134	0.3
86.09715	1.1
91.05488	1.0
92.06256	0.2
93.07036	0.2
95.04962	0.2
97.02816	0.1
98.97488	0.2
98.98478	3.3
98.99117	0.2
100.11256	0.7
102.04678	0.2
103.05480	1.8
105.03401	0.5
105.04465	0.1
105.07036	2.0
107.04955	0.6
107.08585	0.3
115.05421	0.3
117.03380	0.2
117.07024	0.4
118.04185	0.5
119.04947	1.7
120.05731	1.4
120.08038	0.1
121.02861	0.4
121.06507	0.2
121.10114	0.1
129.10197	0.2
131.04893	0.3
132.05711	3.1
132.10187	0.4
133.02847	1.3
133.06499	1.5
133.10158	0.1
135.04430	0.3
135.08043	0.5
135.11659	0.4
137.05981	0.2
144.04399	0.2
145.02824	0.4
145.05397	0.2
145.06500	1.9
146.03600	0.5
147.04440	1.2
148.05202	8.5
149.13239	0.1
151.07549	0.4
159.04384	0.2
159.64287	0.1
160.05220	2.3
161.06012	0.6
162.05527	0.6
163.03882	0.7
163.07553	20.6
164.04268	0.7
174.06772	0.1
174.99194	0.5
176.04710	2.2
177.05452	0.5
177.12740	0.2
182.15494	0.2
188.05659	0.1
188.07082	0.6
189.09111	0.5
191.07039	100.0
192.07356	0.5
210.14888	0.2
239.95526	0.1
250.70406	0.1
253.87288	0.1
308.22287	0.3
326.11105	0.3
326.14001	4.6
326.23380	0.3
326.28110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01878	2.5
57.03437	2.8
59.05000	0.4
61.02916	1.1
61.42978	0.3
69.03436	18.7
70.06569	1.2
70.28664	1.4
70.28987	0.4
71.01363	1.1
71.05001	4.8
72.08162	0.7
73.02901	1.1
79.05497	0.6
81.03422	16.3
84.08145	0.5
85.02897	2.4
86.09682	0.7
87.04454	0.7
89.03917	2.5
91.05489	1.0
95.05003	0.5
97.02887	0.9
99.04459	5.8
106.94666	0.4
107.04974	0.8
109.02882	0.5
116.04990	0.4
117.03394	3.6
117.05527	2.0
117.07001	0.4
118.06544	4.7
120.08085	0.7
127.03893	1.8
129.10262	0.4
135.04427	6.6
137.05997	0.5
145.02859	4.9
145.06563	0.5
145.07620	6.5
147.09174	7.4
162.07896	1.1
163.03912	43.6
163.08681	1.2
173.05719	0.7
173.07129	10.2
175.08687	6.5
181.04938	0.6
191.08162	100.0
203.08188	0.5
215.11934	0.8
231.11389	0.5
233.09219	1.3
271.10712	0.9
289.11844	1.7
307.12891	33.2
325.13953	31.9
337.88916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01865	2.3
55.05513	12.4
56.96545	1.1
57.03426	1.6
57.07064	3.9
57.36377	0.7
57.89274	0.8
62.05794	1.0
62.06093	11.9
63.06419	1.3
67.05505	12.9
69.03428	4.1
69.07073	17.7
69.95078	3.5
71.04980	3.1
71.05358	0.9
71.08633	17.4
76.32106	0.8
76.63395	1.0
79.05492	10.8
81.07059	23.7
83.04988	1.6
83.08622	4.2
85.06522	2.0
91.05479	6.7
93.07043	11.9
95.04987	6.2
95.08608	19.7
97.06528	3.6
97.10162	2.1
97.56707	0.8
99.08092	17.2
105.07029	9.4
107.08582	8.0
109.06519	19.7
109.10163	7.4
111.04404	1.1
111.08052	2.1
117.07014	2.1
119.08575	6.3
121.06532	7.4
121.10143	7.0
123.08058	4.7
123.11695	3.1
125.05989	1.0
131.08549	4.6
133.10130	4.2
135.08035	3.7
135.11684	2.8
137.09576	1.3
137.13281	1.1
139.11198	5.9
141.09041	1.2
143.08585	0.9
145.10095	3.8
147.11685	2.8
149.09639	3.5
149.13239	1.9
155.08551	1.0
159.08018	1.0
159.11710	1.4
161.13219	2.6
163.03964	0.8
163.11168	2.9
163.14912	1.7
165.12764	43.2
167.06100	0.9
173.13280	2.7
175.11206	1.4
177.12767	3.8
179.14305	1.5
181.15852	11.0
183.11685	1.6
191.14314	3.2
201.12846	1.0
209.15350	1.6
227.98708	0.9
228.90067	0.8
243.21107	1.1
247.16902	1.0
251.16373	3.4
251.23622	2.0
261.22144	18.2
271.20609	3.3
275.19916	1.0
279.23087	6.4
289.21622	41.6
307.22681	100.0
308.23184	1.4
308.26724	3.5
325.07074	2.0
325.29224	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	325.0917
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03937	0.6
53.99809	0.3
55.01868	0.5
55.35679	0.2
56.95564	0.3
57.03429	0.5
59.07663	0.2
61.02928	0.5
64.14807	0.2
67.05503	0.4
69.03433	11.3
70.06586	1.6
70.79142	0.5
71.01336	0.3
71.04981	0.8
72.08141	1.0
77.38280	0.3
79.05492	1.1
81.03419	2.7
81.07043	0.3
84.04491	0.4
84.08141	0.7
85.02903	1.9
86.09711	0.9
89.03924	4.7
91.05482	0.6
97.02901	1.2
98.97581	0.8
99.04472	1.2
103.05470	0.4
105.07055	0.5
107.04954	1.8
109.02885	0.9
110.07169	0.5
110.97571	0.5
117.03388	7.4
117.05546	0.3
118.03694	0.3
118.06561	0.8
119.08622	0.3
120.08099	0.8
127.03922	4.5
129.10220	0.5
131.04916	0.5
133.06560	0.3
135.04425	14.8
136.07564	0.3
137.05975	0.9
145.02853	11.9
145.06512	0.4
145.07594	0.7
146.03186	0.6
147.09158	1.0
161.05992	0.5
163.03908	100.0
164.04285	0.7
173.07132	1.6
175.08707	0.8
177.05501	0.6
178.05833	1.1
181.04971	0.8
191.08180	12.6
215.11823	0.3
233.09274	0.3
235.08545	0.3
237.02815	0.5
247.06078	0.3
249.57550	0.2
307.08234	1.6
307.12888	4.2
325.09384	1.2
325.13913	3.9
325.17612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01878	2.5
57.03437	2.8
59.05000	0.4
61.02916	1.1
61.42978	0.3
69.03436	18.7
70.06569	1.2
70.28664	1.4
70.28987	0.4
71.01363	1.1
71.05001	4.8
72.08162	0.7
73.02901	1.1
79.05497	0.6
81.03422	16.3
84.08145	0.5
85.02897	2.4
86.09682	0.7
87.04454	0.7
89.03917	2.5
91.05489	1.0
95.05003	0.5
97.02887	0.9
99.04459	5.8
106.94666	0.4
107.04974	0.8
109.02882	0.5
116.04990	0.4
117.03394	3.6
117.05527	2.0
117.07001	0.4
118.06544	4.7
120.08085	0.7
127.03893	1.8
129.10262	0.4
135.04427	6.6
137.05997	0.5
145.02859	4.9
145.06563	0.5
145.07620	6.5
147.09174	7.4
162.07896	1.1
163.03912	43.6
163.08681	1.2
173.05719	0.7
173.07129	10.2
175.08687	6.5
181.04938	0.6
191.08162	100.0
203.08188	0.5
215.11934	0.8
231.11389	0.5
233.09219	1.3
271.10712	0.9
289.11844	1.7
307.12891	33.2
325.13953	31.9
337.88916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.79691	0.1
53.03940	0.2
55.01862	0.5
55.05500	0.6
55.58485	0.2
57.03430	0.4
57.07076	0.2
61.02916	0.3
63.02372	0.2
65.03944	0.2
67.05508	0.7
69.03433	10.3
69.07072	1.1
70.06595	0.9
70.09315	0.5
70.09713	0.3
71.04990	0.6
72.08169	0.3
73.02914	0.2
79.05124	0.2
79.05496	1.8
80.05836	0.2
81.03406	0.5
81.07053	1.8
83.01325	0.2
83.04990	0.4
83.08588	0.2
84.08140	0.6
85.02906	1.1
85.06528	0.3
86.09706	2.7
87.10048	1.1
89.03919	4.2
91.05476	1.8
92.05804	0.5
93.07037	1.2
94.07362	0.2
95.04969	0.8
95.08613	1.2
97.02908	1.2
97.06555	0.2
98.97575	0.3
99.04423	0.3
99.08113	0.2
103.05459	0.2
105.07038	1.2
106.07320	0.4
107.04951	2.2
107.08589	0.8
109.02879	0.9
109.06489	0.3
109.10154	0.6
110.71020	0.1
111.04426	0.2
111.08060	0.3
115.05429	0.3
116.98583	0.2
117.03383	7.3
117.07010	0.2
119.04935	0.3
119.08564	0.9
120.08929	0.3
121.06490	0.5
121.10134	0.6
123.04449	0.3
123.08058	0.3
123.11692	0.5
127.03922	5.3
129.07019	0.2
131.04910	0.2
131.08566	0.4
132.10243	1.0
133.02840	0.4
133.06490	0.7
133.10179	0.6
134.06815	0.3
134.10471	0.4
135.04419	15.0
135.11690	0.4
137.05989	1.1
139.11183	0.2
145.02853	11.3
145.06523	0.3
145.10089	0.3
147.08080	0.6
147.11685	0.4
148.08408	0.4
148.12064	0.3
149.09612	0.2
149.13263	0.3
151.03862	0.3
151.07532	0.3
152.11505	0.2
159.08040	0.2
161.05991	0.3
161.13269	0.2
163.03905	100.0
164.04271	0.6
165.07085	0.3
169.06555	0.2
173.05954	0.4
175.03889	0.2
175.07558	0.5
175.11195	0.2
176.11505	0.5
177.05510	0.3
177.07034	0.2
181.04973	0.7
181.06383	0.2
183.08035	0.2
185.05949	0.2
186.03024	0.2
186.06770	0.5
191.08394	0.2
194.07350	0.6
194.12582	0.4
195.08112	0.3
201.05463	0.5
205.06479	0.5
206.07196	0.2
209.09721	0.3
211.07536	0.2
219.08058	0.5
221.05930	0.7
222.06779	0.9
226.09013	0.2
233.05960	0.7
234.06665	0.3
236.08366	0.5
237.09074	0.9
239.07024	0.5
247.05928	0.2
250.06148	0.8
251.07021	0.4
255.17865	0.2
261.16772	0.3
263.06906	0.2
264.07785	0.6
265.08597	2.3
266.09167	0.2
267.06406	0.3
269.11603	0.2
277.04727	0.2
278.05777	0.4
279.10159	0.5
279.21506	0.4
281.08170	0.3
282.08875	0.4
289.18042	0.2
292.07315	0.4
293.08145	2.5
293.11401	0.3
294.08844	0.4
295.09467	0.2
297.11191	0.9
307.07816	1.7
307.26456	0.2
309.07678	0.2
310.08438	0.5
325.10913	4.6
325.14377	0.4
325.21912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07884	0.2
53.03934	0.4
55.01889	0.2
61.02913	0.2
63.02384	0.2
69.03436	9.3
69.86728	0.4
69.87143	0.9
70.06589	0.6
72.08166	0.3
79.05493	0.6
81.03399	0.2
84.08156	0.4
85.02902	0.4
86.09698	0.3
89.03921	4.4
92.25870	0.2
93.24364	0.2
95.04981	0.3
97.02888	0.8
99.04434	0.3
103.89330	0.2
107.04970	1.5
109.02871	0.6
117.03384	8.1
120.08058	0.3
123.04425	0.3
127.03917	4.7
129.10298	0.2
133.02849	0.3
135.04419	14.3
137.06026	0.3
145.02856	11.4
145.03999	0.6
159.26050	0.2
163.03909	100.0
164.04222	0.7
164.83688	0.2
167.94865	0.2
177.05507	0.5
181.04936	0.4
201.05417	0.4
247.06038	0.3
307.08124	2.1
321.90991	0.3
325.08902	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.95607	0.2
53.03930	0.2
55.05480	0.2
56.96569	0.2
57.03437	0.2
61.02942	0.4
62.31041	0.2
63.02372	0.3
69.03432	9.2
69.91183	0.8
70.06593	1.9
72.08163	1.1
74.06048	0.3
79.05489	0.9
81.03413	0.6
81.07044	0.4
84.04501	0.8
84.08158	1.1
84.28943	0.2
85.02913	1.3
86.09717	1.0
89.03924	5.1
90.59106	0.2
91.05489	0.3
92.00959	0.2
95.04980	0.2
97.02887	1.4
98.97525	0.2
99.04443	0.4
99.08097	0.3
105.07042	0.4
107.04958	1.8
109.02878	0.9
109.06517	0.5
110.07208	0.3
114.09127	0.3
117.03391	7.5
117.09127	1.5
120.08082	0.5
127.03922	3.7
127.07586	1.0
129.10248	0.5
132.08112	1.2
135.04422	15.4
136.07576	0.4
137.05946	0.6
138.06317	0.2
145.02856	12.1
147.04425	0.3
163.03911	100.0
164.04268	0.6
173.06073	0.3
177.05511	0.4
181.05005	0.7
185.06064	0.2
201.05498	0.4
207.62032	0.2
209.79802	0.2
211.10912	0.2
212.11098	0.3
221.08479	0.2
226.00168	0.2
237.02301	0.9
247.80130	0.2
280.11951	0.5
307.08151	2.2
325.08954	2.0
325.12354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07811	0.2
53.03928	0.3
54.05429	0.2
57.03424	0.4
61.02920	0.4
63.02391	0.2
69.03436	10.2
69.76901	0.7
69.77309	0.5
70.06580	0.8
71.05000	0.4
72.08141	0.5
79.05491	0.8
81.03431	1.3
84.04530	0.2
84.08144	0.5
85.02936	0.5
86.09715	0.6
89.03930	4.2
91.05511	0.3
97.02885	0.9
98.20863	0.3
99.04469	1.0
107.04958	2.1
109.02895	0.4
117.03389	7.6
123.04453	0.3
123.57306	0.2
127.03928	4.2
135.04427	13.7
137.05994	0.3
145.02856	11.1
145.07605	0.3
147.04480	0.2
147.09222	0.4
163.03914	100.0
164.04213	0.8
167.05345	0.2
173.07170	1.0
175.08722	0.3
181.04922	0.7
191.06451	0.3
191.08183	6.6
220.88054	0.2
225.06668	0.7
233.06075	0.2
253.06226	0.2
269.92587	0.2
293.08090	0.4
307.08142	1.7
307.12845	2.1
325.08398	2.4
325.13632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0921
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03946	0.3
55.01871	0.4
61.02924	0.2
63.02366	0.3
66.84840	0.2
69.03432	9.7
70.02921	0.7
70.06595	1.0
72.08150	0.6
79.05502	1.0
81.03404	0.8
81.07027	0.3
82.06558	0.2
84.04509	0.4
84.08139	0.6
85.02892	0.8
86.09707	0.7
89.03915	4.4
91.05499	0.4
95.08615	0.3
97.02907	1.1
98.97565	0.3
99.04463	0.6
99.23313	0.2
105.07011	0.4
107.04978	1.9
107.78181	0.2
108.79382	0.2
109.02850	0.6
110.06063	0.4
111.04451	0.3
117.03390	8.3
120.08120	0.5
123.04453	0.3
127.03921	4.5
129.10226	0.3
133.02870	0.3
135.04425	14.2
137.05986	0.3
140.16472	0.2
145.02852	11.7
145.07646	0.2
147.04503	0.2
149.06042	0.3
160.96271	0.2
161.05939	0.2
163.03908	100.0
164.04222	0.8
173.05920	0.4
177.02000	0.2
177.05521	0.3
180.13792	0.2
181.04932	0.6
191.08182	2.4
201.05528	0.3
205.06577	0.3
247.05861	0.2
272.13470	0.3
293.08047	0.6
307.08127	1.6
307.12854	0.7
307.20221	0.3
325.08752	1.5
325.14023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.01646	0.2
53.03951	0.3
55.01863	0.7
55.05503	0.7
57.03428	0.7
61.02933	0.9
67.05508	0.9
69.03433	6.4
69.07081	0.8
69.64285	0.1
69.64598	1.0
69.75707	0.1
70.06583	0.2
71.04979	0.2
71.87975	0.2
79.05489	1.4
81.03412	0.6
81.07053	1.1
82.03572	0.2
83.04984	0.4
83.08617	0.4
85.02901	1.3
85.06530	0.2
89.03918	4.1
90.62317	0.2
91.05479	0.7
93.07072	1.1
95.04975	0.8
95.08614	1.0
97.02898	1.0
97.06528	0.3
97.10173	0.6
98.21496	0.3
99.04476	0.3
99.08096	0.2
103.05456	0.3
105.07026	0.7
107.04953	2.3
107.08604	0.8
109.02885	0.6
109.06520	0.8
109.10162	0.6
111.08077	0.4
115.05356	0.2
117.03387	6.6
119.08574	0.6
121.02883	0.2
121.06509	0.5
121.10158	0.5
123.04417	0.4
123.08045	0.4
123.11697	0.3
125.09634	0.6
127.03922	3.0
129.06967	0.2
131.08514	0.3
131.19380	0.2
133.02863	0.3
133.10156	0.2
135.04424	14.1
135.08066	0.3
135.11729	0.4
137.05988	0.3
137.09627	0.5
139.11200	0.2
145.02852	11.1
145.10123	0.4
149.09656	0.2
153.09209	0.2
157.10118	0.3
159.08096	0.4
161.06001	0.2
163.03909	100.0
164.04237	0.7
173.05948	0.2
173.13313	0.2
177.05515	0.2
177.48396	0.2
181.04967	0.7
187.35492	0.2
189.11215	0.4
201.05469	0.3
204.28830	0.2
205.06400	0.3
219.08286	0.2
219.87300	0.2
222.06627	0.2
233.05925	0.2
233.15327	0.2
237.09245	0.2
247.06076	0.2
250.06281	0.3
264.07803	0.2
265.08594	0.6
271.17023	0.4
280.04364	0.2
289.18042	0.7
289.25323	0.2
293.08112	0.7
295.06033	0.4
297.11041	0.2
307.07822	1.2
307.19058	0.8
325.03635	0.3
325.09256	3.8
325.20950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2899
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05507	7.2
56.96558	1.3
57.07068	2.1
62.06091	100.0
67.05505	20.0
69.07065	8.3
69.53057	5.2
71.08613	1.4
79.05479	5.3
81.06595	1.2
81.07054	19.5
83.08616	3.7
85.26415	0.7
91.05471	3.2
93.07045	5.7
95.05019	0.9
95.08609	16.3
97.10161	2.8
99.08089	1.6
105.07034	1.9
107.08578	2.9
109.06509	1.4
109.10146	5.6
111.08074	0.9
116.08099	0.7
116.79566	0.8
119.08589	1.5
120.23479	0.7
121.10132	2.1
123.08114	0.9
123.11710	2.4
133.10138	1.3
133.26434	0.7
135.11707	1.4
137.13277	1.1
149.13248	1.3
165.12787	2.3
173.13298	1.1
175.14844	0.8
198.33702	0.8
215.70563	0.8
245.22937	1.4
263.23770	1.3
289.21643	2.4
291.24899	0.9
292.66678	1.9
297.14395	0.8
301.67300	1.5
306.27921	1.8
307.22726	3.6
307.26276	35.7
324.28986	29.4
324.32767	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2173
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.78041	0.2
53.03942	0.6
55.01865	0.4
55.05513	2.1
57.05824	0.3
65.03959	0.3
67.05510	3.9
69.03433	0.7
69.07076	9.0
70.06584	0.3
70.75736	0.7
70.76103	0.2
71.04990	1.9
74.02432	0.3
77.03953	0.4
77.33909	0.3
79.05499	10.0
80.99492	0.3
81.07069	8.1
83.04968	0.4
86.09715	100.0
91.05491	20.4
93.07050	5.9
94.07870	0.3
94.99780	0.3
95.04983	1.8
95.08617	3.4
97.06531	0.4
102.50236	0.2
103.05509	0.5
105.07041	35.7
107.04966	1.5
107.08603	2.6
109.06522	2.2
109.10153	0.6
113.96627	0.3
115.05469	0.4
115.74129	0.2
117.07032	1.5
119.04989	0.3
119.08595	12.6
119.09465	0.7
121.06551	2.2
121.10155	1.4
123.08094	1.0
124.07680	0.3
128.10707	2.0
129.07024	1.7
130.08673	0.5
131.08583	15.4
132.10219	47.4
133.06505	1.1
133.10143	37.7
135.08133	0.3
136.07602	0.3
137.05981	0.6
142.07790	1.4
145.10138	0.9
147.08064	0.8
147.11702	24.5
149.09624	2.8
149.13255	2.2
151.07578	1.0
151.11197	11.7
156.10242	0.6
157.10124	1.9
163.03860	0.6
165.12779	0.8
175.11206	12.9
192.13846	7.1
192.15506	0.5
193.12245	1.8
220.13348	0.5
236.16275	0.3
238.14378	4.7
254.17516	0.4
260.20123	13.5
268.02579	0.3
278.21188	8.3
282.17014	0.3
283.52393	0.3
288.19666	0.6
306.17282	0.8
306.20648	17.2
324.09790	0.3
324.18097	0.5
324.21738	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	324.2898
Annotation	Linoleamide MEA
Peak:m/z	Relative Intensity
55.05520	4.5
57.07077	0.8
62.06094	100.0
67.05508	15.3
69.07072	5.8
69.81493	3.8
70.02972	0.7
75.51545	0.6
79.05486	3.2
81.07062	15.4
83.08625	3.6
89.20787	0.7
91.05516	2.8
93.07040	3.2
93.49448	0.7
95.08620	12.4
97.06534	0.7
97.10201	1.0
98.06043	0.8
99.04514	0.7
105.07057	1.2
107.08629	1.7
109.10165	4.3
114.47179	0.7
119.08595	1.5
119.12701	0.8
121.10183	1.3
121.52881	0.7
122.84430	0.6
123.11733	1.6
133.10197	1.3
151.14885	0.7
190.42349	0.8
245.22803	2.2
263.23761	1.3
284.65121	0.7
306.27930	3.3
307.26529	2.6
324.28973	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	324.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05505	2.0
56.96569	2.0
59.30727	0.7
67.05495	3.7
69.03436	1.4
69.07073	7.9
69.27352	1.3
69.27750	5.7
70.06599	6.6
71.04985	3.1
72.08163	3.6
74.02463	1.4
79.05505	7.7
80.38117	0.7
81.07066	9.3
84.04494	1.9
84.08139	5.9
85.02913	2.5
85.06535	0.7
86.09712	100.0
91.05486	20.5
91.06023	1.2
93.07048	6.6
95.04975	2.1
95.08644	3.7
98.21485	1.1
98.97604	2.4
99.04466	1.2
103.05472	1.3
105.07036	29.3
107.04949	2.5
107.08601	4.2
109.06524	1.9
110.06056	0.7
110.07158	1.0
116.98638	2.0
117.07043	1.7
119.04951	0.8
119.08589	10.2
120.08131	1.9
121.06496	2.9
121.10162	1.6
123.08070	1.2
124.07486	0.7
127.03867	1.0
128.10751	1.6
129.07051	1.8
129.10269	2.9
130.08650	0.9
131.00204	0.9
131.08575	12.0
132.10217	46.8
133.06509	1.9
133.10141	30.2
135.04393	1.0
136.07613	1.0
137.05994	8.0
144.04431	0.9
145.02847	1.0
145.06602	0.7
147.08023	1.1
147.11696	20.5
147.12820	1.3
149.09631	2.5
149.13281	2.0
151.11189	10.7
157.10167	1.4
161.05920	1.1
162.02185	1.6
163.03886	5.3
165.12752	0.8
173.01285	0.9
175.11197	10.5
177.05530	0.9
192.13887	5.0
193.03175	1.0
193.12311	2.0
200.30157	0.7
201.00706	0.8
208.02866	0.7
226.03972	1.8
235.07570	0.8
236.08237	0.8
238.14406	3.4
241.00237	0.7
250.06187	0.7
253.05766	0.8
260.20105	9.9
265.08643	0.9
266.08875	0.7
278.21219	7.1
281.08142	1.1
282.58701	0.7
288.19757	1.1
292.10428	1.0
293.08060	1.5
294.08578	1.0
306.20660	10.9
306.24609	1.1
309.07562	1.1
324.09705	4.1
324.13373	2.1
324.21552	5.0
325.10861	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2171
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03939	0.8
55.05510	2.3
67.05509	3.5
69.07073	7.2
70.06619	0.7
70.77510	1.0
71.04987	2.3
72.08159	0.5
74.02431	0.8
79.05496	7.6
81.07060	6.9
83.04985	0.8
84.34920	0.5
85.02910	0.9
86.09708	100.0
91.05482	17.4
93.07027	4.4
95.04982	1.1
95.08607	3.0
99.04462	0.7
105.07033	29.5
107.04955	0.7
107.08614	2.7
109.06521	1.6
115.94797	0.5
117.07029	1.9
119.08584	11.0
121.06488	1.2
121.10169	0.7
123.07986	1.1
128.10751	1.7
129.06984	2.2
131.08568	13.6
132.10207	45.4
133.06491	0.7
133.10133	28.2
136.07661	0.5
142.07756	0.7
145.10158	0.6
147.08052	0.9
147.11690	19.8
149.09639	2.7
149.13287	1.5
151.11182	8.7
156.10185	0.6
157.10210	1.4
163.03883	0.7
165.12810	0.9
175.11188	10.4
192.13806	6.0
193.12228	2.3
238.14381	4.9
254.17662	1.2
260.20108	11.6
264.75970	0.5
278.21155	8.3
294.89218	0.5
306.20630	14.7
306.24011	0.7
324.21695	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	324.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05505	2.0
56.96569	2.0
59.30727	0.7
67.05495	3.7
69.03436	1.4
69.07073	7.9
69.27352	1.3
69.27750	5.7
70.06599	6.6
71.04985	3.1
72.08163	3.6
74.02463	1.4
79.05505	7.7
80.38117	0.7
81.07066	9.3
84.04494	1.9
84.08139	5.9
85.02913	2.5
85.06535	0.7
86.09712	100.0
91.05486	20.5
91.06023	1.2
93.07048	6.6
95.04975	2.1
95.08644	3.7
98.21485	1.1
98.97604	2.4
99.04466	1.2
103.05472	1.3
105.07036	29.3
107.04949	2.5
107.08601	4.2
109.06524	1.9
110.06056	0.7
110.07158	1.0
116.98638	2.0
117.07043	1.7
119.04951	0.8
119.08589	10.2
120.08131	1.9
121.06496	2.9
121.10162	1.6
123.08070	1.2
124.07486	0.7
127.03867	1.0
128.10751	1.6
129.07051	1.8
129.10269	2.9
130.08650	0.9
131.00204	0.9
131.08575	12.0
132.10217	46.8
133.06509	1.9
133.10141	30.2
135.04393	1.0
136.07613	1.0
137.05994	8.0
144.04431	0.9
145.02847	1.0
145.06602	0.7
147.08023	1.1
147.11696	20.5
147.12820	1.3
149.09631	2.5
149.13281	2.0
151.11189	10.7
157.10167	1.4
161.05920	1.1
162.02185	1.6
163.03886	5.3
165.12752	0.8
173.01285	0.9
175.11197	10.5
177.05530	0.9
192.13887	5.0
193.03175	1.0
193.12311	2.0
200.30157	0.7
201.00706	0.8
208.02866	0.7
226.03972	1.8
235.07570	0.8
236.08237	0.8
238.14406	3.4
241.00237	0.7
250.06187	0.7
253.05766	0.8
260.20105	9.9
265.08643	0.9
266.08875	0.7
278.21219	7.1
281.08142	1.1
282.58701	0.7
288.19757	1.1
292.10428	1.0
293.08060	1.5
294.08578	1.0
306.20660	10.9
306.24609	1.1
309.07562	1.1
324.09705	4.1
324.13373	2.1
324.21552	5.0
325.10861	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.97168	0.4
55.01874	0.8
62.03610	0.5
70.84042	0.7
70.84383	0.9
73.91473	0.4
78.90281	0.4
79.05474	2.1
81.07038	1.3
91.05479	1.9
93.07019	0.5
94.04194	0.5
98.97583	1.4
103.05482	2.5
105.07030	9.4
107.04926	0.5
109.06527	1.8
115.05452	3.2
116.98613	0.5
118.04169	0.7
119.08570	0.5
122.03670	2.3
128.06190	1.3
131.04910	1.4
133.06494	6.8
137.05978	23.0
139.05443	0.7
141.07011	0.9
143.04936	0.7
143.06046	1.0
145.06505	0.9
146.03629	4.7
149.05969	0.8
151.07516	0.7
152.06232	0.5
156.05640	0.5
161.05981	65.5
162.06700	0.8
165.07053	0.9
167.04956	0.8
168.05750	0.5
169.06364	0.6
171.08064	0.8
175.07523	1.4
181.06473	0.7
184.05180	1.3
189.07056	1.1
191.08514	3.1
192.09334	1.6
199.07529	10.4
202.05859	0.8
202.07762	17.4
203.08551	25.5
204.09279	1.9
205.06467	2.7
205.10165	0.5
206.07278	0.6
207.08043	0.6
209.09775	0.5
213.06979	0.9
215.08600	1.5
216.09193	0.6
218.07320	0.9
219.08058	9.7
220.08829	8.8
221.09651	1.1
229.06609	0.6
230.07245	4.7
231.08043	45.6
232.08804	7.6
233.05948	1.1
233.09604	1.0
234.06796	1.1
235.07552	1.5
235.11194	2.0
237.09145	1.1
241.06410	0.8
242.07285	1.0
243.08087	0.9
245.09644	2.0
247.03712	0.5
247.07579	8.2
248.08321	22.3
249.09123	2.3
252.11533	0.5
258.06818	3.2
258.99878	0.8
259.07544	37.5
260.08325	26.2
260.11145	1.1
261.09039	1.4
262.09958	1.8
263.07745	1.0
263.10669	18.1
263.82343	0.4
264.47318	0.5
265.08640	2.4
273.05139	0.5
273.09033	1.3
274.09662	0.7
275.07068	4.1
276.07825	17.1
277.08594	4.6
280.10831	0.8
290.09341	1.4
291.10147	100.0
292.10849	6.5
293.08075	3.8
295.10428	0.6
295.13278	2.5
298.45459	0.5
307.09906	0.7
308.10397	4.3
323.12772	69.7
324.13141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01864	1.1
55.05511	1.2
67.05501	0.7
68.86797	0.7
69.03424	1.4
69.07071	2.4
69.33687	0.9
69.34088	4.5
70.06599	1.5
71.04972	0.8
74.01974	0.7
79.05486	2.0
81.07065	3.7
84.08154	1.3
84.96041	0.7
86.09716	0.9
90.93507	0.8
91.05484	2.8
93.07047	2.2
94.04177	0.9
95.04961	1.4
95.08611	2.8
97.06534	1.0
97.10208	0.9
98.97586	2.0
103.05469	2.9
105.07040	11.4
107.04991	4.2
107.08566	1.5
109.06518	2.1
109.10186	1.7
111.08105	1.0
115.05471	4.3
119.04919	1.0
119.08592	1.8
120.08117	0.8
121.06522	1.1
121.10139	1.8
122.03665	1.7
123.04475	1.2
123.08074	0.8
123.11653	1.1
124.84548	0.7
128.06210	1.0
131.04900	1.7
131.08597	0.7
133.06525	6.0
137.05984	24.6
139.05420	0.8
143.01930	3.1
145.06461	0.8
146.03604	5.0
147.04384	2.0
147.11707	0.8
149.05956	1.3
156.05617	0.7
159.08083	1.2
159.11720	0.9
161.03021	2.8
161.05998	65.9
162.06737	1.4
167.04819	0.7
167.07048	0.8
171.08072	1.3
175.07565	1.6
177.05536	2.2
184.05318	1.8
189.07004	1.1
189.09244	0.9
191.08621	3.0
192.09471	1.6
199.07570	11.5
202.07777	16.0
203.04048	2.7
203.08568	25.0
204.09322	1.9
205.06541	2.8
205.10236	0.9
206.07153	0.8
215.08569	1.3
217.06444	1.1
219.08098	9.1
220.08855	8.5
230.07297	4.4
231.08073	43.2
232.08797	6.6
233.05991	1.1
233.09557	1.1
234.06712	0.7
234.10153	0.9
235.07629	1.4
235.11165	2.5
237.09096	0.9
245.09639	1.0
247.07582	6.9
248.08356	21.5
249.09183	2.6
252.05235	1.1
252.07608	0.8
258.06845	4.5
259.07562	33.1
260.08344	27.2
261.05457	0.8
261.08990	2.1
262.09845	2.4
263.07056	1.4
263.10721	19.5
263.19476	0.7
265.08694	1.6
273.09152	1.3
275.06946	4.4
276.07864	16.1
277.09271	4.6
290.09283	1.1
291.10178	100.0
292.10947	6.5
293.08072	5.4
295.07095	0.7
295.13309	3.3
308.10345	4.9
310.49274	0.8
323.09579	4.2
323.12799	71.5
324.12903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.79557	0.6
53.11302	0.6
53.19928	0.6
55.01891	1.5
55.05541	0.9
56.96601	1.5
57.03455	0.7
59.05039	0.9
67.05553	1.9
69.03454	0.7
69.07094	1.7
70.06618	1.8
71.05025	0.8
72.08167	0.8
79.05535	2.9
81.07056	3.2
83.08652	0.7
84.08186	1.4
85.02933	0.7
85.06567	0.7
86.09705	6.2
87.10052	1.2
91.05476	3.4
93.07069	1.2
95.05000	1.5
95.08627	1.5
97.06551	0.8
98.97586	4.8
103.05531	2.2
105.07033	12.8
107.04992	1.1
107.08635	1.2
109.06574	2.3
109.10193	0.7
110.07231	0.8
115.05444	4.3
116.98631	0.8
117.07065	1.0
119.08630	1.7
121.06535	0.7
122.03689	1.0
128.06256	1.1
131.04976	2.3
131.08595	1.2
132.08907	1.1
132.10274	2.2
133.06491	7.2
133.10138	1.5
137.05986	13.0
137.06960	1.0
139.05417	1.2
141.73721	0.6
143.06041	0.8
145.02869	1.8
145.06569	0.8
145.10153	1.0
146.03642	5.8
146.07266	0.7
147.04448	2.0
147.08101	1.2
147.11699	1.3
149.06036	2.1
149.09697	0.9
150.09996	0.8
159.04456	0.7
159.08044	1.1
161.05984	82.3
162.06696	1.2
163.07541	0.8
165.07062	0.9
167.04953	1.6
167.43556	0.7
171.08046	1.0
175.07608	1.2
175.11125	0.7
177.05501	2.1
184.05237	1.4
189.07008	1.6
190.07724	0.9
190.22627	0.7
191.07173	0.7
191.08499	3.0
192.09425	2.5
193.12303	2.0
199.07581	5.1
202.07761	15.6
202.09497	0.9
203.08545	29.8
204.09265	1.8
205.06534	2.2
206.07269	0.9
207.08105	1.4
213.07115	0.9
215.08565	2.1
218.07256	0.7
219.01706	1.0
219.08060	7.3
220.05284	1.2
220.08829	9.7
221.09474	1.1
230.07259	4.2
231.08055	48.5
232.08812	6.2
233.05937	1.1
233.09528	1.0
235.07549	2.1
235.11282	1.5
237.09125	0.9
242.07341	0.8
245.09747	1.4
247.07524	8.3
248.08318	21.3
249.09154	2.4
258.06824	5.3
259.07562	39.2
260.08325	29.6
261.05679	0.8
261.08972	2.6
262.06128	0.7
262.09860	2.1
263.07147	1.7
263.10681	18.6
265.08655	3.0
273.09094	1.0
275.07080	4.0
276.07819	18.3
277.08572	4.3
277.19858	1.8
280.07394	0.8
290.09341	1.0
291.10150	100.0
292.10806	3.8
293.03162	0.8
293.08051	5.9
295.10025	1.1
295.13373	2.5
299.05444	2.2
308.10324	4.0
323.09283	5.7
323.12747	83.9
324.12891	1.0
324.21625	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01880	1.4
55.05523	1.6
56.96582	1.1
65.03939	1.0
67.05508	1.6
69.03432	1.0
69.07091	2.4
69.42353	3.6
69.42758	1.2
70.06587	2.0
71.05001	0.9
72.08167	0.7
79.05496	3.2
81.03416	0.9
81.07069	3.8
81.07463	0.7
83.04969	0.8
83.08614	0.8
83.44347	0.7
84.08156	1.4
85.02889	0.9
85.06554	1.0
85.14925	0.8
86.09697	1.0
91.05489	3.4
93.07065	2.5
94.04221	0.8
95.04972	1.5
95.08621	2.3
97.06526	0.7
98.20765	1.0
98.97590	1.5
103.05495	3.0
105.07037	10.8
105.67612	0.7
107.04946	4.0
107.08611	1.9
109.06541	3.0
109.10175	1.6
111.08124	1.1
115.05457	3.9
116.98641	0.9
117.03313	0.7
117.07034	0.7
119.08630	1.3
121.06512	0.8
121.10149	1.3
122.03669	1.4
123.11749	1.1
128.06285	0.9
131.04950	1.4
131.08669	0.8
133.06496	6.4
134.65099	0.7
135.11710	1.0
137.05984	26.0
139.05444	1.1
143.01913	4.1
145.10150	1.1
146.03616	4.8
147.04376	1.3
147.11647	0.9
149.05949	1.3
149.13254	0.8
161.03026	3.0
161.05983	64.4
162.06677	0.9
165.07001	1.4
167.04933	0.9
168.05730	0.9
169.06540	1.0
171.08069	1.2
175.07594	1.8
177.05464	2.2
184.05194	1.4
189.06921	1.5
191.08554	4.7
192.09393	2.7
199.07545	12.5
202.07759	16.0
203.04039	2.5
203.06685	1.5
203.08568	26.2
203.10440	1.5
204.09363	1.9
205.06451	2.3
215.08578	1.2
218.07359	1.4
219.08009	10.1
220.08792	8.2
221.09688	0.8
230.07297	3.3
231.08054	42.3
232.08830	6.3
233.06096	1.3
233.09644	1.0
235.07539	1.2
235.11055	3.2
237.09195	1.0
241.06433	0.7
243.08121	0.9
245.09637	1.6
247.07576	8.2
248.08334	21.1
249.09143	1.9
252.05272	1.5
258.06769	3.5
259.07535	32.8
260.08325	27.9
261.05270	0.7
261.09177	2.4
262.09796	1.7
263.06653	1.0
263.07632	1.0
263.10699	19.1
264.11252	0.7
265.08633	3.1
273.09119	1.0
275.07034	4.1
276.07803	17.6
277.09241	6.0
280.11002	1.1
291.10156	100.0
292.10861	5.6
293.08041	3.0
295.13248	1.7
305.17413	1.6
305.24673	0.8
308.10324	3.5
323.09982	2.9
323.12775	68.8
323.18668	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1277
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
51.79749	0.4
55.01872	1.1
63.26569	0.4
67.05511	0.4
69.07111	0.4
70.06567	0.4
70.56039	0.8
70.56405	0.9
70.63269	0.4
71.23952	0.4
79.05488	1.9
81.07057	0.9
85.02943	0.4
91.05479	1.4
94.04183	0.8
95.04964	1.2
95.08627	0.7
98.97600	0.6
103.05476	2.4
104.30817	0.4
105.07037	10.0
107.04966	0.7
107.08579	0.8
109.06539	1.5
115.05461	4.2
118.04152	0.5
119.04910	0.4
119.08575	0.9
122.03675	2.0
124.90469	0.4
128.06215	1.1
129.07045	0.7
131.04927	1.7
133.06500	6.1
137.05984	25.6
139.05460	0.7
141.06958	0.7
143.04924	0.5
143.06020	0.8
146.03625	4.7
147.04416	0.8
149.05984	0.9
151.07526	0.8
156.05713	0.8
157.06537	0.5
159.08095	0.7
161.05986	66.7
162.06621	0.6
165.07039	0.8
167.04932	1.2
171.08092	1.2
175.07550	1.5
177.05435	0.7
179.08542	0.5
181.06441	0.5
184.05240	1.1
185.06079	0.5
189.07001	1.3
191.08548	2.7
192.09366	2.5
199.07553	11.6
202.05833	0.7
202.07771	17.4
203.08563	28.6
204.09322	1.8
205.06551	2.4
207.08110	0.5
213.07047	0.8
215.08571	1.5
217.06459	0.7
217.10030	0.8
218.07368	1.0
219.06021	0.5
219.08083	8.5
220.08827	9.2
221.05952	0.6
221.09544	0.6
222.06790	0.9
229.06396	0.5
230.07219	3.7
231.08058	47.1
232.08823	8.1
233.06004	1.1
233.09642	1.1
234.06775	1.0
235.07579	1.4
235.11209	1.8
237.09041	1.5
241.06506	0.7
242.07402	0.6
243.08115	1.0
245.09625	1.8
246.10356	0.5
247.07576	8.3
248.05763	0.9
248.08353	21.9
249.09062	2.0
258.06854	4.0
259.07553	35.6
260.08337	25.7
261.05597	0.6
261.09146	2.3
262.09900	2.0
263.10678	20.0
265.05127	1.1
265.08585	2.2
273.09283	1.3
274.09723	0.6
275.07022	3.7
276.07813	18.9
277.08582	4.9
280.10995	0.9
290.09183	1.1
291.10156	100.0
292.07562	0.8
292.10803	6.2
293.08029	3.9
295.10153	0.5
295.13208	2.3
307.09485	0.5
308.06744	1.5
308.10455	4.9
323.09473	3.3
323.12766	65.9
324.13104	0.8
331.07175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78445	0.7
55.05519	1.4
63.77125	0.7
67.05516	2.4
71.52249	0.8
79.03992	0.6
79.05526	2.5
81.07082	2.9
83.04986	0.7
86.09719	0.9
91.05482	3.8
93.07083	2.2
95.04985	2.0
95.08634	2.1
98.00439	0.7
103.05495	1.8
105.07040	10.4
107.04990	1.4
107.08591	1.4
109.06519	2.2
109.10181	1.5
115.05478	3.0
119.08596	1.7
121.06564	1.5
121.10130	1.0
122.03693	1.6
124.86927	0.7
128.06267	1.1
131.04961	1.2
132.05754	0.9
133.06508	4.1
135.08109	2.1
137.05981	19.6
142.76419	0.8
143.08586	0.9
146.03659	3.6
147.04453	0.9
149.06050	1.9
159.08020	1.2
161.05991	61.4
167.04958	0.8
171.08093	1.4
181.06569	0.7
185.13261	1.4
190.07883	0.7
191.08514	4.0
192.09419	2.6
195.07991	0.8
197.13211	0.7
199.07513	5.7
202.07755	16.4
203.08565	25.6
204.09238	1.6
205.06540	2.7
208.75653	0.8
213.07065	1.0
215.08652	1.7
219.08076	8.9
220.08859	6.7
229.06606	1.5
230.07307	3.9
231.08058	48.3
232.08826	6.4
233.09705	1.7
234.06703	1.3
235.07524	1.2
235.11235	1.8
237.09109	0.8
243.08118	1.0
245.09711	1.6
247.07556	7.7
248.08351	19.5
248.10817	1.6
249.09096	1.8
258.06781	4.1
259.07556	36.2
260.08328	28.5
261.09036	0.8
262.09970	1.1
263.07678	1.1
263.10672	16.9
263.13303	1.4
265.08530	2.2
273.09137	1.9
274.09991	1.2
275.07019	5.2
276.07800	17.6
277.08694	3.6
280.10907	1.2
290.09167	1.0
291.10159	100.0
292.10696	5.5
293.08063	2.6
295.13309	2.3
303.30557	0.8
305.17508	2.1
308.10382	3.2
323.09366	4.9
323.12766	71.2
323.27298	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	322.274
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03950	0.8
55.05502	3.0
57.07076	1.6
58.56546	0.5
60.04522	0.8
61.37101	0.5
62.06088	100.0
67.05506	13.7
68.18687	0.6
69.07069	2.8
70.84087	1.4
75.66930	0.5
79.05491	10.5
81.07058	18.3
83.08630	1.7
85.10195	0.9
91.05488	4.5
93.07044	12.5
95.04975	1.0
95.08606	13.5
97.06564	0.8
97.10187	1.1
98.06059	0.7
105.07022	3.5
107.08587	9.1
109.10169	5.7
111.08088	0.7
117.07029	1.7
119.08584	1.7
121.10135	6.5
123.11726	1.9
130.08659	1.0
131.08551	3.8
133.10167	2.2
135.11667	3.0
137.13277	1.3
140.03773	1.0
144.10188	1.0
145.10139	2.3
147.11726	1.7
149.09576	0.7
149.13310	2.2
151.14873	0.6
158.11809	1.2
159.11713	1.6
161.13266	1.5
163.11269	1.0
163.14790	1.4
171.81175	0.6
172.13368	0.7
173.13318	1.7
177.16423	2.3
186.14961	1.4
187.14865	1.0
198.14891	0.6
200.16504	1.2
214.18001	1.4
238.18163	0.6
243.21107	5.0
261.22156	7.5
282.38013	0.7
304.26306	3.1
305.24722	2.6
322.27444	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	322.2742
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
53.03089	0.3
53.03950	0.5
55.05515	3.3
56.96553	0.3
57.07082	0.7
60.04528	1.0
62.06092	100.0
65.03947	0.5
67.05510	14.8
69.07067	3.4
69.36514	1.2
69.36938	1.0
70.02959	0.4
71.04973	0.3
71.08631	0.4
79.05498	9.3
81.07059	15.4
83.05018	0.4
83.08631	1.5
85.06520	0.4
88.66688	0.3
91.05485	5.1
93.07053	11.1
93.07646	0.6
95.04975	0.6
95.08610	12.2
95.97195	0.2
97.06557	0.7
97.10185	0.5
98.06107	0.6
98.20787	0.5
99.04474	0.3
105.07037	2.6
107.08590	6.6
109.10158	5.4
111.08062	0.4
117.07038	0.7
119.08562	2.2
121.10152	5.3
123.11716	2.9
125.09640	0.4
130.08653	0.5
131.08595	1.5
133.10152	1.8
135.11691	3.8
137.13272	1.0
144.10185	0.5
145.10097	1.4
147.11722	1.0
149.09566	0.3
149.13289	2.2
151.14799	0.4
158.11743	0.3
159.11710	1.2
161.13275	1.2
163.14847	1.5
172.13326	0.6
173.13235	1.4
175.15065	0.5
177.16405	1.4
180.93643	0.3
186.14906	0.6
187.14868	1.0
200.16516	1.1
201.16406	0.3
213.55115	0.3
214.18079	0.7
226.18045	0.4
228.19643	0.4
233.22653	0.4
240.19531	0.3
243.21097	2.1
261.22147	3.6
266.21158	0.4
291.19376	0.6
304.26379	2.9
305.24823	2.5
322.27435	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34789	0.7
55.05504	3.5
55.99221	0.7
57.07075	2.1
60.04512	1.4
61.80235	0.8
62.06093	100.0
67.05509	15.7
69.03426	0.9
69.07054	3.1
79.05490	12.3
81.07063	18.6
83.08606	2.3
85.06552	1.1
85.10199	1.1
85.43995	0.8
85.74606	0.8
91.05464	4.9
92.34092	0.8
93.07049	14.2
95.04960	1.5
95.08610	13.5
97.06513	1.0
105.07028	3.2
106.29886	0.8
107.08598	8.5
109.10171	5.0
111.88085	0.8
117.06989	1.3
119.08583	3.0
121.10159	6.4
123.11715	2.8
130.08649	0.9
131.08575	3.1
133.10158	1.7
135.11694	3.9
137.13290	1.2
140.03789	2.4
144.10243	1.2
145.01480	0.8
145.10188	2.1
147.11707	1.1
149.13274	1.9
151.14803	1.1
158.11734	1.0
159.11700	1.9
161.13268	1.7
163.14890	2.3
172.13321	1.1
173.13298	2.9
177.16428	2.9
186.14828	1.0
198.14734	0.8
200.16486	1.3
214.18126	1.1
240.19566	1.2
243.21173	5.3
261.22113	5.8
264.52261	0.8
295.62988	0.9
299.05905	0.9
304.26358	2.8
305.24753	2.6
322.21072	1.7
322.27475	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	322.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
55.05509	2.4
56.05029	1.1
56.96557	0.9
57.07066	0.9
57.79165	0.5
58.06611	0.7
58.13148	0.5
63.21343	0.6
65.03931	0.7
67.05506	3.0
67.94360	0.5
69.03426	3.2
69.06731	0.9
69.07076	11.7
70.06596	5.7
70.64215	1.6
71.05000	1.7
72.08154	1.6
74.02460	0.9
75.58859	0.5
78.52228	0.6
79.05497	7.8
81.03435	0.9
81.07071	2.4
83.04998	1.3
84.04501	0.9
84.08147	5.0
85.08463	0.6
86.09711	100.0
91.05482	12.8
91.06032	1.0
93.07046	10.8
95.04978	2.9
95.08617	1.4
98.97588	2.6
103.05474	1.2
105.04579	0.7
105.07037	17.8
107.04962	4.2
107.08609	11.8
107.09308	0.9
109.06557	1.3
110.07179	1.0
112.07605	0.6
115.05495	1.7
116.06285	1.4
117.07027	13.5
119.08589	5.4
120.08138	2.1
121.06541	5.0
121.10142	3.6
123.08086	2.0
128.10718	3.5
129.07004	3.0
129.10260	2.5
130.07787	5.9
130.08643	0.9
131.04938	0.7
131.08577	36.4
132.10213	29.3
132.64940	0.5
133.06497	0.7
135.04414	0.8
135.08034	0.6
135.11696	2.2
136.07547	0.6
137.06012	4.0
143.08569	2.9
145.02913	0.7
145.06500	1.9
145.10133	42.3
147.08087	1.9
147.11699	5.8
149.05994	1.9
149.09630	34.8
155.08539	0.9
163.11200	10.3
165.12769	1.2
173.01302	0.8
173.09637	8.4
177.05556	2.1
182.15408	0.6
191.10693	8.7
192.13983	0.8
206.15356	2.7
208.13351	1.5
220.13373	1.3
240.67549	0.5
241.06534	0.5
252.16032	1.3
258.18546	10.8
275.06949	0.6
276.19601	32.7
278.17532	0.7
286.18280	0.7
291.10361	0.7
300.16708	0.7
304.19049	14.1
322.11792	1.3
322.20160	16.5
340.01868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09843	0.5
53.03939	0.8
55.01871	2.6
55.05510	2.3
56.05018	0.5
56.96559	1.8
57.03429	0.6
57.07072	0.8
58.06601	0.8
58.21837	0.5
60.04515	0.8
60.79686	0.5
65.03938	0.8
67.05512	3.4
69.03437	2.8
69.06728	0.9
69.07071	11.9
70.06594	6.1
70.32659	1.5
71.04991	2.2
72.08149	2.7
74.02440	1.3
74.06094	0.5
78.76141	0.5
79.05498	7.6
81.07064	3.4
82.71861	0.5
83.04985	1.5
83.53068	0.4
83.55966	0.4
84.04510	0.7
84.08137	4.8
85.02924	0.7
86.09708	100.0
87.10051	0.7
91.05483	11.9
93.07050	8.8
95.04966	2.9
95.08609	1.7
97.02882	0.6
98.97610	1.5
103.05470	1.9
105.07034	17.5
107.04955	4.8
107.08603	12.6
109.06548	1.2
110.07171	1.5
112.07606	0.5
112.08743	0.6
115.05447	1.7
116.06239	2.1
116.07050	1.1
117.03444	0.5
117.07022	13.0
118.03703	0.6
119.08596	4.9
120.08086	2.5
121.06517	4.8
121.10142	4.3
123.04517	0.6
123.08086	0.9
128.06221	0.9
128.10727	3.8
129.07031	2.7
129.10236	2.0
130.07793	4.9
130.08635	1.0
131.08574	36.5
132.10210	32.7
133.10182	0.5
135.04460	0.6
135.08043	0.9
135.11729	1.8
136.07512	0.6
137.05975	3.2
138.09048	0.4
139.56317	0.6
143.08569	2.1
145.02849	1.2
145.06490	1.5
145.10129	40.1
147.08075	1.7
147.11693	7.1
149.06036	1.4
149.09624	37.9
161.06018	0.6
163.11179	10.5
165.12646	1.1
173.09636	7.1
175.12022	0.7
177.00845	0.5
177.05493	1.9
178.48938	0.5
191.10669	10.2
206.15425	4.0
208.13354	1.4
214.87688	0.5
216.12570	0.6
220.13379	1.8
234.18570	0.7
252.16130	1.0
258.18546	12.9
259.07675	0.6
264.46967	0.5
276.19583	33.1
290.08963	0.5
300.11093	0.5
301.07703	0.7
301.57782	0.8
302.08090	0.6
304.19061	11.6
322.14417	1.1
322.20172	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	322.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31468	0.7
53.03949	1.0
55.01873	2.6
55.05519	1.6
56.96566	6.6
57.03421	0.9
57.07067	1.1
57.84460	0.6
58.06601	0.7
59.14006	0.6
60.04483	0.7
67.05504	2.5
69.03423	2.8
69.07075	10.7
70.06598	3.7
70.31624	2.5
70.44726	0.7
71.04995	2.0
72.08131	0.8
74.02440	1.0
79.05504	8.2
80.20967	0.9
81.03443	1.0
81.07066	4.5
83.04991	1.1
83.14541	0.6
84.08151	2.0
84.96040	1.7
85.02921	3.1
85.17440	0.7
86.09714	100.0
91.05495	10.1
93.07047	9.1
95.04982	2.6
95.08612	2.4
97.02888	2.0
98.97595	10.3
103.05469	1.6
105.03393	5.4
105.07047	18.3
106.03752	3.1
107.04962	5.9
107.08595	13.2
109.02901	1.3
109.06558	2.0
109.10170	1.1
110.97617	1.8
115.05483	1.9
116.06287	0.8
116.98656	3.2
117.03353	1.0
117.07032	16.7
119.08608	5.3
120.08104	1.4
121.06519	5.5
121.10139	4.8
127.03951	0.8
128.06204	1.1
128.10718	3.6
128.98630	1.9
129.07030	3.2
130.06491	0.7
130.06920	0.9
130.07811	5.6
130.08597	0.8
131.04976	1.3
131.08578	37.4
132.10220	29.5
133.06525	1.5
134.99712	0.9
135.04448	1.1
135.08047	1.1
135.11710	1.4
137.05991	6.9
143.00151	0.8
143.08595	2.7
144.85735	0.7
145.02902	1.4
145.06552	1.3
145.10135	43.8
146.99706	1.0
147.08073	2.7
147.11699	6.5
149.06013	1.9
149.09637	40.1
155.08519	0.7
158.99677	1.2
161.01289	1.7
161.05997	7.2
163.11211	10.7
173.09634	7.6
174.09215	1.5
175.09564	2.6
177.00693	0.9
177.05550	1.8
178.05872	0.8
179.02173	0.9
191.10709	9.2
192.67458	0.7
199.07652	1.0
201.00716	1.0
202.07796	1.3
203.08621	3.1
206.15384	3.8
208.13408	2.0
219.01797	4.2
220.13309	1.8
231.08191	2.8
232.08601	0.9
237.02769	4.8
238.12697	1.3
247.07556	1.1
248.08385	1.3
252.16107	1.0
258.18546	13.6
259.07532	2.4
260.08368	2.6
262.09412	1.0
263.10660	1.2
275.77084	0.8
276.08026	1.7
276.19601	35.3
279.09543	0.8
290.09055	1.7
291.10120	9.3
293.03214	0.9
299.05768	1.3
304.19119	13.6
307.09583	1.7
322.11865	4.3
322.20169	15.2
323.09543	1.0
323.12875	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	322.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.6
56.05039	0.9
60.04525	0.7
67.05520	0.8
69.03441	3.3
69.07073	1.1
70.03791	0.5
70.06597	13.6
71.06916	0.7
71.51521	0.8
72.08159	94.4
74.09709	0.6
79.05451	0.6
80.12583	0.5
84.04512	1.3
84.08147	7.2
86.09714	8.0
91.05470	1.4
93.07054	1.2
102.05554	0.7
103.05454	2.6
104.07092	0.7
105.03417	0.7
107.05006	0.9
110.07145	1.4
116.07140	4.0
117.03400	1.7
118.03715	1.2
118.08688	1.1
119.08581	0.9
120.08111	79.5
121.08449	0.8
123.08099	1.1
127.03913	1.4
129.10245	100.0
131.04897	1.6
137.05975	1.8
137.06981	0.5
145.02841	4.0
146.03160	3.6
146.05942	0.7
147.06297	0.6
149.05995	1.8
153.07515	0.7
156.07727	0.7
157.09737	29.1
163.03867	1.1
164.07091	1.1
166.08649	40.8
175.11957	0.6
177.05475	6.0
177.10204	5.4
178.05817	8.8
190.09830	0.7
191.11832	1.7
205.09732	2.5
218.80113	0.5
219.11176	0.8
234.02174	2.6
234.34459	0.6
322.12128	1.3
322.18735	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1761
Annotation	Gly Phe Val
Peak:m/z	Relative Intensity
55.05513	1.8
56.05047	1.0
60.05642	0.4
69.03444	0.7
69.07055	0.3
70.06594	4.7
71.05024	0.4
71.06953	0.5
71.52217	0.4
72.08159	21.0
77.03922	0.4
80.95644	0.3
81.07055	0.3
84.04510	0.8
84.08153	1.8
85.02901	0.6
86.09701	3.5
89.10803	0.4
91.05500	0.7
93.07051	0.7
100.43800	0.3
103.05444	1.8
105.03426	0.4
105.07014	0.4
106.03697	0.6
106.04900	0.7
110.07157	1.1
112.08727	0.3
113.07150	1.0
116.07064	0.5
117.03415	0.5
118.08667	5.4
120.08111	100.0
121.08479	0.9
125.09612	0.5
129.10255	1.1
130.06511	0.6
143.11681	0.4
145.02812	1.7
146.03200	1.2
146.06160	0.4
157.09755	0.8
162.05502	0.4
163.91260	0.4
166.08614	3.2
172.99164	0.4
174.08829	0.3
177.05421	1.6
177.10237	46.8
178.05833	2.2
178.10664	0.4
205.09726	15.9
214.06720	0.4
223.10704	2.2
224.07837	0.3
234.02203	0.9
265.15527	1.3
271.09677	0.4
276.14233	0.5
299.09167	1.2
317.09952	0.4
322.11807	0.6
322.15579	1.3
322.18900	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87970	0.2
59.18534	0.2
63.58702	0.2
69.36275	0.2
71.37350	0.3
98.97568	0.5
101.00884	0.9
116.98624	0.2
117.76068	0.2
119.01967	1.2
123.98589	0.2
140.98843	0.7
142.19011	0.2
144.13867	0.2
154.81659	0.2
158.99895	2.3
161.66432	0.2
177.00967	9.3
178.01044	0.3
182.99829	2.4
201.00943	10.5
202.01094	0.2
202.93524	0.4
218.03558	0.2
219.02017	100.0
220.02110	2.2
220.94522	0.3
221.02461	0.6
224.02596	0.3
238.95566	3.2
242.01288	0.4
242.03625	5.1
243.03731	0.2
249.01109	0.2
256.96649	7.2
257.96631	0.3
261.97266	0.3
262.95633	0.6
274.94577	0.3
274.97705	1.1
279.98221	0.8
280.96637	1.9
298.97693	39.9
299.18546	0.2
299.97812	0.7
303.98367	0.2
307.93027	0.5
308.43066	0.3
309.95743	0.2
316.93484	0.4
317.43753	0.2
319.43777	1.2
319.93948	0.3
321.99277	5.8
328.44440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35868	0.4
55.05504	1.1
56.05031	1.5
57.00089	0.4
57.56094	0.5
58.99587	0.4
60.04528	1.3
60.05639	0.9
65.03947	0.4
69.03437	1.0
69.07059	1.7
70.06600	15.2
71.06915	0.4
71.51133	0.5
72.08164	52.9
74.06086	1.9
82.06546	0.5
83.06107	0.7
84.04517	3.1
84.08158	7.7
85.02908	1.2
86.06078	0.6
86.09233	0.6
86.09718	11.2
87.05587	0.7
87.10043	0.5
88.03977	1.0
89.10805	20.9
91.05482	1.4
98.06070	1.0
98.97547	0.6
102.05540	1.1
103.53782	0.5
107.04928	0.6
110.07159	3.0
112.08718	1.1
114.09142	0.7
114.99886	0.4
115.08751	2.2
116.07105	1.8
119.04945	0.7
120.08119	8.2
127.03889	0.6
129.10275	3.7
130.06517	0.8
130.08698	0.5
132.04483	2.0
135.02533	0.6
136.02190	3.2
136.07573	1.1
137.06015	3.0
143.11754	0.7
145.02846	1.6
146.06000	0.9
147.04451	1.2
149.00545	1.2
149.05974	0.8
150.03711	0.9
151.02147	1.4
152.07149	0.6
160.03961	35.0
161.04759	5.8
162.05379	0.5
163.02097	1.2
163.03821	0.4
164.01675	18.5
164.07069	3.4
165.05515	0.9
175.11937	1.2
177.05489	1.9
178.03244	3.4
178.05838	0.8
188.01675	9.2
188.03458	4.4
189.00081	3.9
192.01176	5.2
204.01144	0.8
206.02751	3.4
207.10216	0.4
216.01152	0.6
216.99646	0.6
219.15025	1.0
223.10818	1.0
234.02220	100.0
235.02493	1.0
237.02934	0.6
262.07095	0.5
276.39172	0.5
288.57932	0.6
293.64865	0.5
305.09592	21.3
322.12244	43.7
322.18640	2.8
323.11789	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03946	3.7
55.05514	13.0
57.07080	4.2
67.05508	8.8
69.07085	8.8
70.55104	3.0
71.52301	3.2
75.55910	3.0
76.33783	3.4
79.05491	15.3
81.07061	14.3
83.04990	4.0
83.08640	3.3
91.05495	9.7
93.07052	12.2
95.08605	9.9
97.10188	5.7
105.07031	6.2
107.04943	4.0
107.08605	15.3
109.06523	12.0
109.10201	4.3
111.08057	3.9
119.08580	7.1
121.10148	5.7
123.08080	48.8
123.11797	4.1
125.09598	4.5
133.10100	4.2
135.08069	8.0
137.05986	3.9
143.41058	4.0
145.10106	6.2
147.11734	4.3
147.66798	3.8
149.09628	8.9
153.09183	3.3
164.26100	3.7
179.14331	17.3
187.14821	3.7
217.14354	3.3
243.63641	3.7
265.17999	17.5
275.20044	9.8
303.23190	4.8
321.24295	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03952	0.5
55.01874	0.8
55.05271	0.4
55.05513	6.3
56.96573	0.4
57.03440	0.4
57.07078	1.9
59.04995	0.5
65.03932	0.4
67.05177	0.4
67.05506	5.6
68.87834	0.3
69.03432	0.6
69.07069	5.6
70.64159	0.8
71.04986	1.3
71.08622	1.0
79.05489	3.7
81.07059	9.2
83.04992	1.0
83.08618	2.8
85.06528	0.8
91.05472	1.8
93.07042	4.8
95.04968	0.7
95.08611	9.0
95.35493	0.3
97.06514	1.4
97.10159	2.0
98.97603	0.4
99.08102	0.7
101.05972	0.3
105.07043	2.2
107.08598	4.6
109.06516	9.7
109.10152	3.3
109.86521	0.4
111.08099	1.7
117.07032	0.7
119.08565	3.2
121.06478	0.4
121.09313	0.5
121.10133	4.4
122.07301	1.0
123.08070	52.5
123.11697	1.3
125.09631	0.4
131.08577	1.1
133.10156	1.7
135.08057	5.3
135.11673	1.1
136.08824	0.7
137.09612	3.2
137.13200	0.6
139.11185	1.3
142.36089	0.3
145.10126	1.4
147.11693	1.1
149.09602	1.9
149.13260	0.6
151.11159	0.5
159.11684	0.7
161.09520	0.3
161.13269	0.9
163.11212	0.7
163.14766	0.4
165.12746	0.6
167.14304	0.4
173.13237	0.6
175.14748	0.3
177.12766	0.8
179.14313	27.8
185.81017	0.3
187.14857	0.7
190.95583	0.3
191.14241	0.5
193.15788	0.6
203.12836	0.5
205.15955	0.9
211.14777	0.4
219.17345	0.4
223.16896	0.5
223.45058	0.3
240.11929	0.8
247.16930	1.1
253.17923	0.4
261.22253	1.2
265.18005	16.0
279.19543	0.9
279.23013	0.3
285.21973	0.4
303.23199	3.8
321.24240	100.0
322.24680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96270	0.5
56.96559	1.0
60.04504	0.7
60.44330	0.4
67.05506	1.1
69.03426	1.5
69.07076	1.3
70.06588	1.0
70.20843	1.7
72.08174	0.6
79.05489	1.0
81.07045	3.2
83.04976	0.6
84.04530	0.5
84.08123	0.8
85.02927	0.4
86.09706	97.5
91.05487	1.7
93.07044	3.8
95.04987	0.8
95.08611	1.9
97.02881	0.6
98.97592	1.9
103.05444	3.2
105.03401	1.1
105.07026	1.4
107.04955	1.4
107.08599	2.6
109.06500	0.8
109.10151	1.7
109.69106	0.5
110.97601	0.5
114.01121	0.4
116.98635	0.7
117.03381	0.7
119.08582	1.5
120.08104	100.0
121.08444	0.8
121.10154	1.5
127.35416	0.5
128.10716	50.1
129.10211	0.5
131.04955	2.0
131.08595	0.8
133.10129	1.6
135.11703	0.9
137.09592	0.7
145.02863	1.6
145.10155	1.3
147.11697	1.3
149.06000	2.4
149.09619	0.8
149.13264	0.9
151.11221	0.6
156.10201	14.8
157.10283	0.7
165.09116	0.8
166.08643	63.7
173.01175	0.5
175.14908	0.7
177.00818	0.7
177.05457	3.4
199.14757	0.8
207.96771	0.6
208.11070	0.5
215.17996	0.6
237.02922	0.8
240.93800	0.6
246.06754	0.8
247.07458	0.5
261.09229	1.1
285.22202	0.5
289.08710	0.9
303.23251	0.8
306.08701	0.6
321.11218	3.0
321.16910	1.2
321.24289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31055	0.5
51.10143	0.6
53.03945	0.9
55.05510	1.1
56.96578	0.6
67.05506	7.8
69.03429	6.2
69.07040	0.6
70.06593	7.7
71.05006	0.9
71.51444	0.5
72.08165	3.0
74.06055	0.6
77.03939	0.8
79.05487	1.1
81.03417	0.6
81.07065	1.7
83.06123	0.6
84.04502	1.5
84.08138	5.4
85.08463	0.6
86.09705	3.5
89.03931	1.4
91.05450	2.8
93.07056	1.9
94.06563	8.8
95.04992	0.8
95.08608	1.2
97.02906	0.8
97.06559	0.6
98.97578	0.8
99.04475	0.9
103.05460	0.7
105.07041	1.0
106.06573	0.5
107.08585	0.9
108.08106	0.9
110.07159	1.6
116.04958	0.7
117.03375	5.2
119.08582	0.6
120.08113	2.0
121.06466	0.7
121.10173	0.6
122.06028	27.7
127.03917	2.3
129.10249	1.8
130.05038	0.8
130.06596	2.6
131.04980	0.8
131.08632	0.7
132.01854	0.5
132.05714	1.0
134.06044	1.1
135.04434	0.7
136.07579	62.7
137.05994	1.8
140.07101	0.9
145.02846	13.8
145.10179	0.6
146.06036	1.7
147.04419	0.6
147.08073	0.7
149.05969	2.7
158.06068	0.5
159.09203	0.7
161.07159	0.8
162.05499	5.9
163.03841	0.7
164.07066	100.0
165.07396	0.9
166.05151	0.6
171.05560	0.8
172.03960	1.7
173.07138	1.0
174.05511	0.8
175.07462	0.6
177.03896	0.8
177.05469	26.9
182.08130	78.7
188.07059	0.7
189.06651	4.4
190.04977	2.4
199.04958	0.7
217.06004	0.7
234.02187	1.2
235.07085	1.4
249.18474	0.9
251.38226	0.5
275.06970	0.6
286.10736	0.6
289.08615	0.7
303.06131	0.6
303.13248	1.3
304.11691	1.7
321.06879	1.4
321.10568	2.2
321.18909	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04532	2.6
67.05489	0.4
69.03426	1.1
70.02956	5.7
70.06592	1.5
71.04981	0.4
71.50889	0.2
72.08144	0.4
74.02450	1.3
74.70724	0.2
79.05475	0.3
81.07049	0.4
84.04492	0.2
84.08142	0.6
86.09699	0.8
88.03996	1.8
89.03905	0.4
91.05498	0.4
93.07037	0.4
94.06553	0.5
95.08573	0.3
98.97556	0.2
102.05547	24.8
116.03453	0.8
117.03380	1.0
118.06517	1.0
121.82014	0.2
122.06031	2.3
127.03917	0.3
128.04955	3.5
132.04446	1.7
136.07573	0.8
137.05942	0.4
145.02856	2.6
146.06012	100.0
147.06325	0.4
148.04868	0.3
148.06053	6.4
150.05508	0.4
158.11478	0.3
160.03954	0.2
164.01604	0.4
174.05515	18.1
177.05470	4.4
192.06602	0.6
224.10298	1.3
234.02122	0.5
243.07669	3.1
261.08749	1.7
275.10260	6.7
287.30792	0.2
289.08176	1.7
293.11380	0.3
303.09900	1.6
303.13031	0.4
321.10754	3.5
321.15186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65821	1.3
55.01851	2.0
55.05498	1.7
56.05019	1.5
56.96560	3.5
57.03196	1.9
57.03439	25.8
60.04518	1.4
61.02938	3.9
69.03429	13.4
70.04812	6.7
70.06597	19.4
71.01024	1.8
71.01358	21.0
71.04607	2.4
71.04993	45.7
72.08148	7.5
73.02922	33.5
74.06092	3.2
75.04469	3.5
75.75401	1.7
81.03378	1.6
83.01352	3.6
83.04951	2.6
84.04488	5.2
84.08144	9.1
85.02908	59.9
86.09708	6.6
89.06033	19.9
91.05495	3.4
95.01336	13.0
97.02319	2.0
97.02897	26.4
97.96783	1.7
98.97574	7.1
99.00839	7.7
99.04486	4.3
101.02374	9.0
101.06020	1.7
103.03938	7.3
103.05456	1.7
104.05325	1.8
109.02868	1.5
110.07161	5.6
110.97570	3.7
111.04417	3.6
113.02375	28.9
116.07089	2.7
116.98616	2.5
117.01815	1.5
117.03435	1.5
120.08105	3.6
122.07184	1.6
127.03880	1.8
128.98621	1.8
129.10234	4.0
131.03403	10.1
136.06215	4.4
137.05934	5.0
140.01704	1.5
141.01820	33.5
142.08621	2.5
145.02809	2.7
145.04950	3.7
145.08606	100.0
147.04440	1.6
149.06020	2.0
153.05420	1.9
159.02873	11.2
159.06519	2.1
163.09674	8.7
167.06995	2.8
169.04964	3.5
177.05461	4.7
180.08784	5.3
187.06032	3.5
187.09653	13.5
197.04422	4.6
208.04868	3.1
215.05482	5.8
219.01680	3.5
219.14749	1.6
229.06866	2.2
235.07141	4.8
237.02844	3.1
261.12421	1.8
269.73300	1.7
273.06934	2.2
275.11215	2.1
285.09647	2.8
287.75616	1.5
297.08020	6.0
303.06305	2.8
303.10623	7.5
303.13638	1.8
312.08633	1.8
321.11771	20.9
321.15109	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19001	0.2
60.04528	2.8
60.40619	0.2
69.03426	2.7
69.34441	1.9
70.02596	0.4
70.02956	5.6
70.06597	1.1
72.08141	0.7
74.02435	1.0
77.03980	0.2
81.03416	0.3
84.08144	0.6
84.50491	0.2
86.09701	0.8
88.03996	2.0
89.03921	0.6
91.05467	0.5
97.02907	0.3
98.21571	0.5
102.05546	24.3
103.05434	0.3
105.03359	0.3
116.03466	0.8
117.03391	2.1
118.06550	1.3
118.07294	0.2
120.08127	0.5
122.06020	0.3
127.03931	1.0
128.04964	3.6
129.10239	0.3
132.04445	1.5
136.07558	0.9
137.05820	0.2
145.02849	5.4
146.06010	100.0
147.06299	0.4
148.06049	6.5
149.05972	0.8
163.03935	0.5
164.07063	1.5
174.05510	18.9
177.05476	11.6
182.08228	1.2
192.06596	0.8
232.06882	0.4
233.08011	0.3
233.12930	0.4
234.02336	0.4
243.07684	2.9
261.08792	2.1
275.10278	8.1
285.12466	0.3
289.08118	1.6
303.09689	1.7
303.12976	0.3
321.10980	4.9
321.14902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	2.8
60.04531	0.7
61.01161	1.4
68.05029	1.4
69.03444	0.7
69.07079	0.5
69.37817	2.8
70.06597	100.0
71.05051	0.3
71.06943	0.4
72.08154	1.9
74.06073	0.4
81.03391	0.4
84.04508	1.0
84.08148	1.7
85.02895	0.5
85.06536	0.9
85.07655	0.4
86.09711	20.9
91.05509	0.7
93.07038	0.6
93.79259	0.4
96.04449	0.4
97.02937	0.6
102.05556	0.6
103.05487	0.5
104.05328	4.0
110.07202	0.8
113.07140	7.3
116.07097	7.5
116.69055	0.4
120.08115	10.6
120.08958	0.7
127.08688	46.1
128.07109	0.9
129.10243	0.9
130.06505	0.5
131.08548	0.5
132.10284	1.0
133.03223	1.9
137.06030	0.8
143.11807	12.9
145.02888	0.4
146.11806	0.5
149.05991	0.6
150.05855	6.9
151.03935	1.0
155.08165	32.6
161.07442	2.5
166.08708	1.5
171.11296	4.5
173.09236	2.1
177.05513	2.2
177.10258	2.2
189.06995	1.4
205.09767	0.6
217.13385	0.5
256.09821	0.4
263.13916	8.4
274.15701	0.5
286.02502	0.4
295.85355	0.4
302.15067	0.8
303.13379	2.1
304.30301	0.5
320.12195	0.5
320.16022	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	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04495	0.9
61.40649	0.7
63.00463	0.7
64.84109	0.6
69.03438	0.8
70.06587	1.2
71.51196	1.2
72.08129	1.0
81.03400	0.9
82.99827	3.8
84.08104	2.0
85.02888	2.2
86.09754	0.8
90.54044	0.7
97.02874	1.1
101.00878	19.0
113.00871	6.2
113.03488	1.3
115.02419	5.0
118.08646	1.7
119.01932	14.4
128.64546	0.7
131.01918	11.2
133.03476	11.9
136.34962	0.7
137.02925	1.3
137.05954	3.1
143.01891	8.9
145.03450	2.6
155.01895	17.7
157.03487	3.6
159.01428	1.1
159.05016	1.0
159.07669	0.9
161.02951	6.9
167.01910	0.8
168.99841	1.4
171.01387	1.0
173.02968	26.8
175.04527	9.9
177.02432	2.8
183.01427	3.9
185.03009	3.6
187.00899	3.8
187.04483	1.3
189.02422	1.0
191.04025	1.7
195.01401	1.0
196.99271	1.1
200.07715	1.6
201.02446	76.1
201.07608	4.2
202.02658	1.6
203.03934	3.4
204.12225	1.1
205.01990	0.9
213.02431	10.3
215.00351	2.5
219.03506	100.0
220.03723	1.7
221.05119	2.7
224.04036	1.1
229.01984	2.0
231.03505	8.9
231.07068	1.3
233.05026	1.8
233.06989	1.5
237.04561	2.7
242.05099	3.1
245.05167	1.2
247.02943	7.2
249.04558	6.3
261.04541	12.5
261.07483	1.0
261.08142	0.8
265.03952	1.5
279.05560	3.1
289.03854	1.6
313.58771	0.8
321.06558	7.7
321.11423	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	319.2269
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03942	3.3
55.05516	13.2
57.07059	2.6
59.04994	5.4
67.05511	18.6
69.03432	19.8
69.07071	11.8
69.65280	8.9
71.05000	9.5
76.11317	1.5
79.05505	17.1
81.07061	100.0
83.08628	5.4
84.77950	1.5
91.05486	15.0
93.07049	46.8
94.28221	1.5
95.04993	4.2
95.08613	62.0
97.06541	14.7
97.10181	10.4
99.08107	2.2
105.07037	43.2
107.08605	59.1
109.06504	6.8
109.10165	35.9
111.08085	4.5
111.11710	2.5
117.07016	3.5
119.08583	34.5
121.06520	5.7
121.10153	43.4
123.08041	7.6
123.11725	14.6
125.09652	28.1
127.11189	5.9
130.07768	2.1
131.08574	11.5
133.10144	36.7
135.08064	6.4
135.11699	27.8
137.09625	9.0
139.11188	5.8
142.07835	1.8
143.08556	6.5
144.09381	2.4
145.09070	2.2
145.10147	29.8
147.11693	15.3
149.09625	3.5
149.13272	12.5
151.11180	4.6
151.24814	2.0
153.12801	2.9
157.10159	9.7
159.11679	22.8
161.09647	8.9
161.13261	18.2
163.11201	6.1
163.14885	3.5
165.12801	3.0
169.10197	1.9
171.11726	8.0
173.13248	13.6
175.11160	6.5
175.14841	5.1
177.12695	2.5
177.16374	2.3
185.13309	2.4
187.14868	10.2
189.12811	1.9
189.16389	2.8
191.14331	10.5
191.17943	20.5
197.13280	6.1
199.14839	8.7
201.16396	23.3
213.12781	2.5
213.16359	6.1
215.14279	3.4
215.17964	2.7
217.15771	2.4
219.17438	32.1
227.14166	3.0
231.17426	6.9
255.21115	10.1
265.19528	3.0
273.19089	2.1
273.22089	32.4
283.20551	17.3
291.23257	7.8
301.18317	3.4
301.21646	43.8
306.53250	1.7
319.18796	6.1
319.22711	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	12(S)-HEPE
Peak:m/z	Relative Intensity
55.05515	12.4
57.03431	2.3
57.07074	4.4
59.04993	3.9
65.83266	1.9
67.05515	22.5
69.03428	22.0
69.07072	14.7
70.06561	2.3
71.04995	14.9
71.51639	3.4
79.05490	20.8
81.07058	100.0
83.04955	4.0
83.08604	7.7
84.08155	3.2
85.06543	4.3
86.09682	2.4
91.05482	18.9
93.07043	51.7
94.29601	2.1
94.76483	2.1
95.04972	10.6
95.08613	53.8
97.06520	9.9
97.10179	7.6
99.08080	3.0
105.07032	44.9
107.04981	6.9
107.08594	59.0
108.05239	2.8
109.06519	8.6
109.10158	37.9
111.08083	6.3
117.07034	5.7
119.08591	33.2
121.06509	9.2
121.10151	46.5
123.08089	7.2
123.11699	15.9
125.06001	3.0
125.09641	20.6
127.11195	5.7
129.07030	4.1
129.44792	2.4
131.08565	14.3
133.10135	51.0
135.08038	9.0
135.11687	27.9
137.05956	5.2
137.09602	9.9
139.11113	3.7
143.08569	5.3
144.09306	3.9
145.10133	33.0
146.04303	2.0
147.08032	2.5
147.11671	21.4
149.09637	3.9
149.13229	11.3
151.11143	4.7
156.09329	2.3
157.08940	2.6
157.10086	13.8
158.10913	2.6
159.11700	27.3
161.09630	14.5
161.13252	14.8
163.07582	2.9
163.11195	8.7
163.14870	5.6
165.12746	2.8
171.11674	8.8
173.13290	12.0
175.11168	5.3
175.13512	2.5
175.14877	9.2
177.05499	2.5
177.16396	3.8
178.05037	3.9
179.14293	2.3
183.02913	4.7
185.13257	3.6
187.14830	14.4
189.16353	6.2
191.14284	17.5
191.17958	16.3
197.13223	7.2
199.14879	11.7
201.16432	24.5
203.14374	3.4
209.13350	2.7
211.14912	4.0
213.12695	3.4
213.16391	7.0
215.14311	4.6
215.18004	2.4
217.16287	2.5
219.17413	30.1
223.14929	2.3
231.17474	5.8
255.21062	9.1
265.19382	2.6
273.22104	28.7
283.20575	20.9
291.23239	4.9
301.21588	44.8
301.24960	2.2
319.08081	4.8
319.12360	3.5
319.22614	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	319.2272
Annotation	(+/-)-12-hydroxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03936	5.0
55.01846	2.6
55.05517	17.0
56.96546	2.6
57.07055	4.4
59.04987	3.3
59.48274	2.3
65.03954	2.2
67.05513	21.8
67.96105	2.3
69.03434	15.2
69.07081	15.4
69.62641	13.5
70.06574	6.2
71.04977	11.8
72.08142	3.2
79.05503	21.0
79.44176	2.6
81.07063	100.0
82.04781	2.5
83.04973	7.4
83.08604	7.6
84.08123	4.7
85.06539	4.7
86.09692	3.5
91.05489	22.0
93.07057	46.9
95.04970	7.6
95.08619	62.6
97.06522	16.9
97.10165	7.1
98.97550	2.9
99.08092	4.5
103.22188	2.3
105.07043	50.3
107.00517	2.3
107.04947	5.8
107.08606	64.0
109.06514	11.4
109.09483	3.7
109.10165	45.3
111.08082	7.3
113.02349	4.2
117.07014	5.4
119.08583	36.2
120.08118	2.5
121.06489	6.9
121.10154	44.5
123.08110	11.9
123.11706	12.9
125.09655	21.7
127.11133	6.0
129.06969	2.5
131.08597	16.2
133.10135	39.9
135.08038	9.8
135.11703	26.9
137.05981	9.6
137.09573	7.9
139.11227	4.8
142.07816	3.0
143.08594	5.2
145.10147	32.6
147.08012	5.6
147.11699	18.7
149.13295	17.2
151.11208	4.6
153.05429	2.8
153.12752	3.8
157.10133	11.3
159.02829	3.0
159.11681	26.3
161.09694	13.0
161.13271	15.1
163.11131	4.5
163.14908	3.3
165.12753	2.7
169.10091	3.3
171.11710	6.5
173.09566	6.8
173.13240	15.8
175.11263	6.1
175.14830	7.1
177.05463	3.7
185.13281	5.0
187.14854	12.1
189.12691	3.3
189.16466	6.1
191.14340	13.1
191.17943	18.2
197.13283	7.5
199.11066	3.3
199.14838	11.6
201.16388	24.7
203.17863	6.1
211.14786	2.6
213.12874	2.5
213.16402	8.1
215.14349	7.3
217.15933	4.0
219.17474	25.4
227.17810	3.2
231.17523	8.2
241.15903	3.2
255.21027	7.5
265.19583	4.3
273.22131	26.0
283.20673	13.3
291.23236	4.3
301.11786	3.4
301.21628	43.5
304.07089	3.2
319.12607	2.9
319.22589	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2267
Annotation	12S-HEPE
Peak:m/z	Relative Intensity
53.03939	2.6
55.01872	3.6
55.05508	13.7
56.96547	2.6
57.03430	3.2
57.07090	3.3
58.81678	2.4
59.05000	3.4
59.51089	2.1
65.03918	2.8
67.05503	33.6
69.03432	12.8
69.07064	25.7
69.65028	12.5
71.04991	24.6
79.05499	15.7
81.07057	52.9
83.04961	3.4
83.08602	5.7
85.06528	2.8
87.00812	2.6
91.05483	20.7
93.07047	49.1
95.04956	9.9
95.08612	40.2
97.06532	6.0
97.10172	4.7
99.08124	10.9
105.07031	52.4
107.08591	43.5
109.06500	8.8
109.10160	94.8
111.08076	3.0
111.11714	2.5
115.05406	2.6
116.09142	2.3
117.07000	5.7
119.08584	39.1
121.06528	11.9
121.10148	94.2
123.08068	6.9
123.11719	21.2
125.09633	19.7
127.07556	6.8
127.11180	7.5
129.06958	3.9
130.07794	2.5
131.08585	20.8
133.06468	2.2
133.10133	43.7
135.08051	9.6
135.11699	29.1
137.05942	5.7
137.09610	38.2
137.13275	5.3
138.52293	2.5
139.11168	25.0
141.12738	3.0
143.08563	11.3
145.10121	30.2
147.08061	17.2
147.11691	14.7
149.09610	9.7
149.13263	3.1
151.11177	2.3
153.12721	11.4
155.08548	2.5
155.10667	5.6
156.09332	4.0
157.10115	19.5
159.08064	6.2
159.11708	21.3
160.08890	2.9
161.09625	43.7
161.13260	6.4
163.11179	18.2
165.09123	33.4
165.12759	2.9
167.08565	3.4
169.10139	5.1
171.11678	17.5
173.09634	18.9
173.13269	24.5
175.11188	34.4
175.14816	6.4
177.12732	4.6
179.10674	6.9
181.12225	6.6
182.10957	5.1
183.11707	4.6
185.09679	2.3
185.13255	6.5
187.11169	5.3
187.14819	17.7
189.12770	6.5
189.16396	3.0
191.10649	5.8
191.14320	8.2
193.12082	3.0
195.11668	2.7
197.13277	19.0
199.11166	4.8
199.14874	5.1
201.12660	4.3
203.14345	12.2
203.17873	3.3
203.64664	2.5
209.13324	3.7
211.14825	7.9
212.15569	2.9
213.12828	15.4
213.16376	20.4
215.14322	32.4
217.15866	3.5
223.14818	4.1
227.14326	6.8
229.15881	4.4
231.17461	38.6
233.15361	11.1
241.15889	3.4
241.19505	4.7
255.21100	7.6
259.20502	4.9
265.19501	7.2
265.42340	2.5
273.18985	2.9
273.22021	13.2
283.20566	43.6
291.07019	2.2
301.21613	100.0
319.19489	3.5
319.22672	78.9
326.06464	2.3
334.87006	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
55.05498	3.3
56.05028	5.8
56.96555	5.2
57.03439	2.9
60.04527	5.8
61.02925	2.8
61.72720	1.3
61.76733	1.3
66.76417	1.3
69.03422	4.8
69.07053	3.2
69.24368	9.5
69.24765	3.4
70.02947	4.9
70.06590	40.2
71.06922	5.8
72.08154	20.0
73.08485	1.4
74.06068	4.5
79.05479	2.6
81.03411	2.8
81.07057	3.3
83.06079	2.6
84.04514	9.6
84.08139	26.4
85.02898	12.9
85.04020	6.4
85.06522	1.6
85.08479	1.6
86.03232	1.6
86.09705	24.2
87.05590	20.1
87.10027	3.4
88.03990	4.1
91.05483	6.7
93.04494	1.5
93.07076	2.5
95.04955	1.8
95.06138	1.2
95.08615	3.1
97.02902	6.4
97.12343	1.2
97.83508	1.5
98.02431	2.0
98.06084	1.8
98.21474	2.4
98.97574	3.8
102.05537	2.9
103.05414	2.2
105.03433	1.9
107.04942	2.3
110.06044	2.0
110.07157	18.6
111.04438	2.5
111.08113	1.4
112.08707	2.5
113.09622	1.7
115.08668	2.3
116.07089	4.7
118.06519	13.4
119.04931	4.1
120.08083	9.2
121.02861	8.7
121.06484	3.6
122.03192	7.2
123.04475	1.8
127.03918	1.6
129.10242	13.7
130.05063	2.7
130.06526	72.0
131.04915	2.0
132.08102	11.2
135.04448	1.4
136.06198	1.6
136.07585	4.3
137.05972	6.7
137.20097	1.3
139.03929	10.1
139.07504	3.6
139.11182	2.0
140.04263	8.2
140.07129	1.7
141.06654	2.4
142.06357	5.0
143.11830	2.9
144.08061	15.7
144.12120	2.1
145.04990	2.5
146.06013	66.0
147.04422	3.7
147.11340	1.9
149.05969	3.4
150.05467	1.9
151.03952	3.3
154.06532	5.4
156.07813	3.0
157.07526	2.8
157.08623	4.6
158.08344	2.2
158.99756	1.6
159.07956	2.7
159.09178	21.9
163.03923	4.1
165.05438	3.8
169.07616	19.1
169.20435	1.4
170.06020	13.8
171.09195	10.3
177.05479	2.9
179.07001	3.8
181.07617	2.1
182.06047	5.3
187.08658	3.6
188.07063	100.0
191.06938	2.4
199.08672	3.9
202.12646	1.8
205.09758	19.3
211.08589	2.7
215.08212	6.0
217.13846	1.6
219.01704	2.1
221.07140	4.1
222.07751	2.0
225.03156	2.1
225.06612	3.4
237.02875	1.7
239.08261	7.7
243.07660	19.0
244.10745	2.3
256.10672	4.2
260.10275	21.0
273.13507	8.6
274.07553	1.9
284.10330	11.5
285.08710	39.2
287.05481	1.8
301.12665	4.5
302.11377	35.8
319.13724	15.1
339.03928	1.7
344.30399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3002
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
52.79760	0.4
56.41133	0.4
57.07080	8.6
58.06578	1.2
70.06595	17.0
70.68314	1.3
71.08646	3.4
72.08171	0.7
74.06068	0.5
84.08140	0.4
85.10183	1.1
86.09668	0.6
88.07635	21.6
99.88867	0.4
102.09187	13.4
132.10182	1.4
135.46831	0.5
146.11775	1.0
150.11292	0.7
175.82657	0.6
212.23705	0.9
256.26364	41.3
257.26654	0.6
300.28918	2.4
318.30035	100.0
319.30350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1176
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03953	0.9
55.01878	1.3
55.05504	0.8
56.05036	0.8
60.04530	0.5
65.03945	2.0
67.05502	2.6
69.03441	1.4
69.07070	0.8
69.86597	2.0
70.06599	3.8
72.08149	2.0
79.05495	1.4
81.03423	1.4
81.07059	1.4
83.05005	0.7
84.04501	1.4
84.08135	4.4
85.02899	1.7
85.06494	0.6
86.09714	2.6
89.03921	2.1
91.05482	3.6
93.03442	0.6
93.07063	1.2
93.27281	0.4
95.04977	1.7
95.08605	0.9
97.02873	1.2
98.21466	0.7
98.97575	1.3
103.05480	1.3
105.04510	0.5
105.07014	0.8
106.04147	0.5
107.04955	1.3
107.08609	0.7
108.02106	2.3
109.02887	0.8
109.06510	0.7
110.07149	0.6
111.04456	1.0
117.03367	2.5
119.04950	0.5
120.08112	2.2
121.02878	4.4
121.03696	0.5
121.06526	4.0
123.04415	0.9
127.03915	1.3
129.10234	1.5
130.06560	0.6
131.04886	0.6
132.08089	1.0
133.02847	0.7
133.08423	0.9
134.03656	1.6
135.04462	1.3
137.05992	7.1
141.05466	1.9
143.40329	0.5
144.08043	0.8
145.08424	0.6
147.11691	0.5
149.05983	69.2
151.03917	82.7
151.05032	10.3
151.07413	2.6
152.06155	0.8
153.05670	1.0
153.06958	6.2
159.09175	1.6
160.09525	2.3
161.05948	1.2
163.03976	0.7
167.07037	0.9
169.06464	0.8
170.07309	0.7
177.05473	100.0
181.04939	0.3
181.06482	9.6
181.43863	0.5
182.07332	0.6
185.09653	0.6
195.08122	1.3
197.05943	0.5
198.06766	1.4
199.55948	0.5
201.29970	0.5
209.06013	3.7
213.09142	6.0
223.07504	0.8
226.06236	1.5
230.74075	0.5
239.06786	0.6
240.07767	0.8
241.08582	7.3
269.08020	2.3
273.11215	16.7
276.07867	0.5
283.09677	1.2
290.09467	0.7
291.09970	0.6
301.10718	12.2
302.15793	2.3
319.09448	1.6
319.12888	1.4
319.18610	0.6
319.26974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1812
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
69.07072	1.9
70.06593	1.8
71.12617	1.1
72.08154	0.6
74.02441	1.7
84.08144	1.2
86.09705	100.0
87.10016	1.0
113.10721	1.3
115.05418	0.8
118.06538	5.0
120.08125	1.7
130.06548	7.7
130.08652	0.7
132.08099	14.8
137.05997	1.1
141.10216	5.5
142.06477	2.9
143.07272	1.0
144.08073	13.3
146.06010	31.8
147.50691	0.6
158.08394	1.2
159.09183	26.2
160.07578	1.7
170.06018	5.8
188.07066	75.6
189.07460	0.9
205.09723	63.7
272.17618	2.3
273.15967	1.8
300.16858	0.7
301.15448	12.7
303.04550	0.7
318.06998	4.6
318.18118	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	318.1813
Annotation	Trp Leu
Peak:m/z	Relative Intensity
52.34864	0.3
53.28040	0.3
55.05508	0.4
56.96533	0.5
57.07070	0.7
67.05533	0.3
69.03426	0.9
69.07076	1.5
69.16879	1.1
69.17300	2.7
70.06585	2.1
72.08149	1.2
74.02433	5.0
81.07072	0.4
84.04490	1.0
84.08148	2.2
86.09703	11.6
88.04000	0.6
91.05519	0.6
97.02895	0.5
98.21520	0.9
98.97581	1.1
103.05465	0.6
103.60973	0.4
105.07030	0.5
107.04965	0.6
107.08576	0.4
110.07121	0.9
112.07587	1.2
113.10775	1.1
115.05449	4.1
116.07066	0.4
117.05757	2.3
117.07028	1.7
118.06541	1.7
120.08113	1.5
121.34528	0.4
129.10240	1.3
130.06525	22.9
130.08582	2.4
132.08087	50.0
136.42889	0.4
137.06007	0.4
140.05006	0.4
141.10246	1.2
142.06526	8.0
143.07281	1.0
144.08083	39.5
145.32043	0.4
146.06038	0.5
154.02087	0.4
158.08382	0.9
159.09175	100.0
160.07570	4.4
160.09570	0.8
170.06012	17.8
171.09195	0.4
172.07553	0.6
177.10088	0.4
181.92827	0.4
187.08777	1.0
188.07051	2.2
194.19809	0.5
205.09671	1.2
255.15004	0.8
259.14362	0.7
272.17551	0.4
273.15955	2.5
294.95123	0.5
301.15463	57.3
302.15826	0.7
303.04532	0.6
309.10715	0.4
318.06818	1.9
318.10306	0.7
318.18079	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	318.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.6
53.74247	0.5
55.01859	0.5
55.05514	1.5
56.05034	2.2
56.96563	0.6
60.04531	1.3
69.03434	0.9
69.07064	2.6
69.75545	0.9
69.75950	2.2
70.02979	0.6
70.06204	0.7
70.06596	11.2
72.08160	32.7
74.06070	0.5
75.05602	1.6
76.04009	2.0
80.05056	0.5
83.06107	1.0
84.04509	16.9
84.08152	4.2
85.02900	2.0
85.04854	0.5
85.08485	1.2
86.09710	95.8
87.05618	0.7
87.10039	0.9
88.03994	1.2
91.05508	1.1
96.04486	1.5
96.08126	0.6
96.45443	0.5
97.02920	0.8
98.97618	0.7
99.04400	0.5
99.05488	0.5
102.05552	6.7
104.05332	0.7
106.04996	0.5
107.04961	1.9
110.07153	0.8
110.97610	0.7
112.08759	0.6
116.07082	0.9
119.04927	1.1
121.02892	1.1
123.04424	0.5
124.03955	2.1
125.04327	0.6
126.04595	0.6
128.00233	0.6
128.04961	0.6
129.06584	1.6
129.10255	2.1
130.05025	2.1
131.04944	0.7
132.10216	2.0
135.04404	0.7
137.05991	7.2
138.05519	1.9
139.03964	0.7
141.06589	2.2
141.10229	2.0
143.11798	16.1
146.06032	4.7
147.04416	0.9
148.06058	10.6
156.04442	1.2
156.06581	3.1
156.10265	1.1
157.13354	1.2
159.07690	2.3
163.03877	0.9
164.07085	16.1
167.08511	0.7
168.72528	0.5
169.09692	1.0
170.04443	0.6
170.11829	0.6
171.11317	6.3
174.05510	1.7
183.11336	1.0
185.12932	0.8
185.16502	24.7
187.07170	2.2
187.10789	1.1
189.12379	1.2
192.06569	1.7
194.09674	1.5
195.08101	1.3
197.12860	11.7
197.14424	0.5
198.13206	1.0
200.14041	0.9
201.12396	6.5
201.14215	1.2
204.08011	1.1
205.08344	1.8
205.11827	1.7
207.06841	0.6
213.15976	13.7
215.13924	5.0
220.07623	0.6
221.08311	1.5
222.09142	12.1
223.07529	1.2
223.09537	0.5
225.12361	7.4
228.16711	0.5
229.11812	3.1
229.13817	0.6
233.08344	0.6
235.30046	0.5
236.07001	1.3
239.09354	0.5
240.10265	4.1
241.08640	1.1
243.13501	1.3
250.08644	9.0
251.07027	0.6
251.09418	10.3
252.06554	1.7
253.07330	1.6
254.08075	0.8
266.08130	1.3
267.08951	4.7
268.09698	100.0
269.10217	1.2
276.07639	0.8
286.10754	5.3
300.12314	26.5
300.19284	1.5
312.32581	0.6
318.13525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
82.99879	0.4
84.08107	0.3
85.49332	0.3
98.21360	0.3
98.97574	0.4
101.00886	4.4
102.15247	0.3
109.28082	0.2
119.01926	10.4
119.74756	0.3
120.02000	0.2
137.02959	1.7
142.03496	0.9
149.08215	0.6
161.02917	0.5
175.04483	0.3
177.00824	0.3
177.05417	0.3
178.01047	0.8
178.04605	0.4
179.00650	0.6
192.06299	0.5
193.07198	0.4
196.05646	1.0
203.02428	0.3
203.04129	0.3
204.02609	1.0
210.07251	0.4
217.05705	0.3
218.06586	0.6
219.02029	0.8
220.02144	0.5
220.05661	0.8
221.01851	0.7
223.10410	0.3
235.06714	4.5
238.06702	0.8
239.06288	0.6
245.01880	0.3
246.97940	0.3
250.05479	2.9
253.07834	30.9
254.94429	0.3
257.07281	0.6
258.99835	0.6
262.03229	0.3
263.02881	3.5
268.06537	16.3
271.08887	27.3
276.04688	1.3
276.09351	0.6
276.97147	0.5
277.00906	0.3
277.07782	7.8
280.06497	0.8
286.07584	8.5
294.05780	0.6
294.10385	0.6
295.08878	100.0
296.09131	1.3
297.09451	0.5
313.09933	24.2
314.10028	0.3
318.06973	1.3
318.10468	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79710	0.6
55.01876	43.0
58.28012	0.6
60.04528	3.2
69.03420	1.4
69.07076	2.5
70.06596	20.9
71.02574	1.5
71.06940	3.4
72.08147	4.2
84.04509	1.4
84.08166	5.3
85.02888	1.1
86.09712	17.5
87.05587	1.3
87.10051	4.6
87.10504	0.9
88.03973	0.9
91.05493	6.3
97.02877	1.6
97.06568	0.7
103.30225	0.6
105.07049	1.1
107.04989	1.0
110.07176	1.7
111.04472	1.5
112.08767	0.8
116.07099	14.2
117.07442	8.0
119.04948	44.9
120.08106	4.0
129.10236	3.1
130.06517	0.7
136.07567	6.3
137.05971	5.5
141.10199	0.7
147.04420	57.4
151.03920	0.7
153.05431	1.6
154.08652	1.3
155.06810	1.8
161.05910	1.0
166.08566	1.1
173.12865	4.5
174.13205	4.5
179.07045	100.0
185.04237	2.5
199.18091	1.9
200.18474	0.9
201.12416	1.4
202.12744	1.5
230.15857	1.1
281.16043	1.2
316.68073	1.2
317.06714	3.9
317.12030	23.2
317.15396	1.5
317.18405	1.2
326.10175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06322	0.5
58.06598	6.3
59.07378	2.5
59.18352	0.4
60.40699	0.5
70.11067	1.7
72.08144	0.9
74.09724	28.9
74.19572	0.4
84.08148	0.5
95.32632	0.4
100.07587	0.7
112.89576	0.4
118.08642	0.8
122.04902	0.4
132.10187	0.5
136.94020	1.3
137.05969	1.6
138.06277	2.1
156.04259	1.2
156.07538	0.5
156.08704	6.1
158.06636	11.2
166.95047	0.5
173.05338	0.7
174.09778	8.3
176.07692	16.1
182.65149	0.4
191.06406	0.8
199.09254	0.4
200.07690	96.6
201.07890	0.5
218.08751	67.7
219.08984	0.7
228.28806	0.4
241.10381	1.2
243.11899	1.9
245.09734	0.4
261.12918	3.6
273.16629	5.9
274.10110	1.7
275.14572	0.6
314.87427	0.5
317.15582	100.0
318.15833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
55.05518	2.9
56.05034	3.3
56.96570	1.2
58.06600	1.5
60.04515	3.6
60.05651	1.2
67.05518	1.0
69.03441	2.8
69.07067	5.2
70.02952	0.9
70.06595	25.6
70.38945	1.9
71.06316	0.9
71.06927	5.9
72.08162	55.8
73.08479	0.9
74.02441	3.6
74.06079	1.1
74.09719	1.5
75.05602	5.1
81.03451	1.1
82.68708	0.8
83.06104	2.2
84.03994	1.3
84.04508	27.2
84.08150	71.0
85.02926	6.3
86.03233	1.2
86.09712	100.0
87.05594	7.4
87.10028	1.1
88.03999	2.2
88.05376	0.8
89.07155	2.8
90.05513	1.6
91.05488	4.6
92.05787	3.9
95.55167	0.7
97.02897	3.4
98.97594	2.9
101.00891	1.7
101.07157	5.4
101.10783	2.3
102.05555	3.8
102.09214	0.9
107.04977	1.9
110.07171	2.3
112.08763	0.9
115.08695	5.3
116.03490	2.6
116.07103	1.6
116.98656	1.1
118.08662	3.2
119.01904	2.4
119.04942	3.8
120.05293	1.7
124.03960	2.5
125.04308	1.1
129.06638	1.3
129.10251	36.3
130.05006	33.8
130.08684	4.4
131.01915	1.3
131.96190	1.1
133.06099	33.2
136.06200	3.1
136.07533	1.1
136.93121	4.4
137.05968	23.4
138.06326	23.4
141.06694	0.9
141.10307	1.0
143.01892	1.5
143.08174	2.9
143.11809	19.5
145.04961	1.1
147.03226	1.0
147.04405	1.3
147.07655	43.6
147.11295	4.7
150.05537	0.9
152.07068	0.9
154.08624	3.5
154.94186	7.8
155.08984	3.8
157.03625	1.1
157.13367	29.8
158.99733	1.0
161.02971	2.0
164.07072	1.2
166.07365	0.9
166.08690	2.6
169.09737	1.4
170.04521	2.6
171.11247	4.3
171.14970	1.1
172.95224	5.0
173.03032	0.9
175.04716	0.9
175.10759	8.6
176.07635	0.9
177.00864	1.1
179.07013	1.6
183.07729	1.3
183.11292	2.8
183.14970	2.6
184.15358	4.6
185.02917	1.2
185.12874	15.0
186.08810	1.1
186.12471	2.7
187.07155	2.6
187.10913	1.1
189.12404	2.6
190.96400	1.2
196.95287	2.1
197.12891	2.8
197.16486	1.1
199.04616	1.0
200.07710	3.6
200.10349	2.7
204.09735	5.3
204.13470	3.0
212.14758	3.0
214.96289	8.2
214.99832	2.4
215.07626	2.0
218.08746	2.1
226.96400	1.6
228.13501	2.4
229.11777	1.2
242.14990	1.9
245.05150	1.1
253.07918	1.1
285.09494	1.1
287.06271	0.9
294.12140	1.2
295.09030	1.0
299.09732	1.0
299.17365	2.4
300.08893	1.3
300.12308	1.2
300.15561	1.4
300.19052	1.1
312.09277	0.9
316.99036	1.1
317.07715	1.8
317.11426	3.8
317.14636	5.0
317.18805	4.9
317.21960	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	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.00238	1.1
55.01820	0.4
55.05421	0.5
55.51871	0.5
65.03871	0.9
67.05402	1.6
68.71554	0.5
68.99696	3.0
69.06995	0.9
69.12395	0.4
70.06507	0.8
70.47134	0.5
71.01264	0.5
71.04932	0.5
79.05390	2.2
81.06952	1.7
82.07313	0.8
83.01231	0.5
85.02828	0.9
91.05475	2.4
93.03327	0.6
93.06972	1.0
95.01237	1.6
95.01823	0.4
95.04893	1.2
95.08519	1.8
97.02801	2.0
97.06464	0.6
103.05421	1.0
105.03348	0.6
105.06974	1.1
107.01305	0.6
107.04961	15.1
107.08521	1.3
109.10070	1.2
115.05399	1.2
117.03309	0.6
119.04883	0.6
119.08501	0.9
121.02865	2.3
121.06437	0.5
123.00802	4.2
123.04356	0.5
125.02277	2.1
128.06198	0.9
129.06970	3.0
131.04889	1.4
131.08521	0.6
133.02858	9.0
133.10130	0.6
135.04359	0.5
137.02272	0.9
137.05940	0.6
138.03073	1.4
139.05388	0.7
141.06992	3.3
145.02873	3.7
145.06432	0.7
147.04442	0.8
149.02332	1.2
151.00233	2.0
151.03853	0.5
153.00696	0.5
153.01819	3.0
153.06802	0.6
155.03365	0.5
157.06508	5.5
159.04399	0.8
163.03992	1.1
167.03354	1.5
167.04849	1.1
168.00455	0.8
169.06488	2.0
171.04379	1.1
173.06024	1.0
173.13222	0.7
175.11156	0.5
177.01846	13.1
177.05475	1.4
181.01328	100.0
185.05988	8.5
193.01413	1.3
195.02924	0.5
195.04408	1.2
197.05995	1.6
199.03955	1.0
213.05496	4.6
223.02295	0.6
223.04182	0.8
225.05507	2.3
229.05472	0.4
237.70462	0.5
241.04984	7.4
243.06540	21.1
253.04947	3.4
259.00778	0.8
269.04636	1.3
271.06027	23.1
274.02924	1.2
274.05383	0.7
280.23740	1.4
281.04572	0.6
285.04211	0.7
287.00262	0.6
289.05215	0.6
299.05505	26.1
299.16931	0.6
302.04465	1.5
317.06854	18.6
317.17746	0.5
317.21487	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
55.01867	1.0
56.02655	0.5
57.36749	0.2
58.34158	0.2
62.37719	0.2
68.67109	0.2
68.99789	2.6
69.08958	0.2
69.85471	0.7
69.85877	0.5
70.00558	0.4
70.06589	0.3
71.01344	0.9
72.08150	0.2
76.44996	0.2
81.03452	0.2
83.54722	0.2
83.73794	0.2
83.85297	0.2
84.02131	1.6
84.04503	0.4
84.08129	0.3
86.09710	2.5
87.10029	0.6
92.02622	0.4
93.03404	0.3
99.00825	4.0
105.03406	0.4
107.04941	0.5
112.01590	5.1
119.04830	0.2
120.08154	0.2
121.02855	0.5
127.00280	4.4
130.06500	0.2
133.02869	0.2
134.03664	2.0
135.04405	0.4
137.02359	0.6
139.03860	0.3
140.01041	4.1
149.02341	0.2
153.01840	2.8
154.99808	1.3
155.03352	0.2
157.13380	0.7
158.13689	0.8
161.02316	1.1
161.05995	0.2
163.03978	0.2
165.01735	0.2
168.00545	50.4
169.01318	3.6
183.02901	7.8
183.04536	0.4
185.12907	0.4
186.01605	19.6
186.13162	0.3
201.05531	0.6
203.03450	0.3
217.04980	0.6
218.05804	0.3
228.04141	0.8
229.04936	1.7
232.03839	0.3
235.06020	0.4
245.04439	0.9
246.05278	0.8
256.03644	0.6
257.04462	1.6
260.03098	0.3
261.07553	0.6
268.81516	0.2
271.06021	0.3
273.03940	0.8
274.04776	1.6
284.03146	3.4
285.03964	2.1
289.07184	0.4
299.05603	0.3
301.03366	0.6
302.04211	9.4
317.06561	100.0
318.06851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.1
55.01858	0.1
55.05501	0.2
56.05033	0.2
56.11344	0.1
56.96558	0.2
65.03934	0.6
67.01880	0.2
67.05489	0.3
68.99795	0.4
69.03410	0.3
69.07054	0.4
70.06593	1.0
71.04987	0.1
72.08140	0.3
73.72661	0.1
74.58447	0.1
75.08533	0.1
79.05480	0.3
81.03435	0.1
81.07046	0.4
83.04953	0.1
84.04481	0.2
84.07769	0.1
84.08152	0.8
85.02911	0.3
85.08413	0.1
86.09707	1.6
87.10045	0.4
91.05464	0.4
92.02622	2.3
93.03411	2.6
93.07050	0.3
94.04155	0.1
95.01331	0.1
95.04980	0.2
95.08621	0.2
97.02872	0.2
98.97573	0.4
103.05465	0.1
105.03400	0.1
105.07020	0.4
107.04967	0.6
107.08563	0.2
109.02879	0.4
110.07167	0.3
110.97585	0.1
111.00813	0.4
111.04465	0.2
116.98615	0.2
117.03396	0.1
117.05431	0.1
117.07026	0.1
119.04909	0.1
119.08588	0.2
120.02126	0.1
120.08107	0.4
121.02868	2.0
121.06510	0.3
122.03673	0.3
123.04419	0.2
123.23860	0.1
124.01582	0.1
125.09631	0.1
126.03150	1.0
127.03892	0.1
129.07039	0.2
129.10213	0.4
131.04947	0.2
131.08586	0.1
133.02888	0.2
133.06552	0.1
133.10135	0.3
135.04442	0.2
135.08083	0.2
136.01509	0.1
137.02341	0.5
137.05995	0.3
138.09183	0.1
139.03903	1.5
143.08585	0.1
143.11777	0.1
145.02820	0.3
145.06485	0.2
145.10158	0.2
146.11740	0.2
147.04413	0.2
147.11868	0.2
149.02370	0.1
149.05984	0.2
150.03117	0.2
151.03915	1.5
151.05014	0.1
153.01828	15.2
154.02217	0.1
155.04916	0.2
157.10147	0.2
159.04279	0.1
161.05992	0.2
163.03909	0.5
163.07550	0.2
164.07114	0.2
165.01866	1.0
166.02670	0.2
166.08742	0.2
169.06400	0.1
170.02126	0.2
171.14682	0.1
173.06020	0.3
176.04716	0.2
177.01920	0.1
177.05486	1.1
179.03358	0.3
179.07103	0.1
183.02850	0.3
183.04460	0.4
185.05952	0.1
187.03911	0.3
189.05446	0.2
190.06212	0.2
192.04192	0.2
197.06247	0.1
200.04604	0.6
201.05484	1.6
203.03410	1.3
203.13889	0.2
204.04175	0.1
204.14156	0.2
205.05147	0.1
211.04066	0.1
217.04953	2.7
218.05757	1.1
219.02995	0.5
228.04184	3.4
228.06403	0.2
229.04956	6.3
230.05568	0.1
231.02895	1.0
232.03665	0.3
233.04588	0.1
239.03403	0.2
243.06558	0.2
245.04459	3.5
246.05234	3.1
246.07771	0.1
247.02393	0.1
256.03735	0.6
257.04437	4.3
259.02386	0.2
260.03192	0.6
261.07578	0.4
271.06055	0.5
273.03937	3.5
274.04715	6.7
284.03195	0.8
285.03940	7.0
286.04620	0.3
287.01862	0.3
288.06317	0.3
299.05679	0.2
299.09198	0.3
299.19876	0.2
301.03418	0.4
302.04211	20.1
317.06549	100.0
318.06912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
50.47266	0.3
55.01868	0.6
55.05502	0.5
56.02649	0.7
65.97084	0.3
67.05496	0.6
68.99796	2.1
69.07059	0.4
69.36847	2.1
71.01349	0.8
71.04988	1.1
79.05473	0.8
81.07044	1.3
84.02123	1.5
84.08125	0.7
89.03909	0.3
91.05459	0.8
93.07040	1.2
95.08593	0.5
99.00834	3.4
99.04379	0.3
105.07024	1.1
107.04944	0.6
107.08585	1.2
109.06513	0.4
112.01595	4.5
119.08592	0.9
121.06515	0.5
121.10126	1.0
123.08074	0.6
127.00284	5.0
131.04942	0.6
131.08591	0.3
133.10158	0.9
134.03622	2.1
135.04384	0.8
137.02354	0.4
137.05975	0.4
137.09581	0.4
140.01054	3.3
145.10141	0.8
146.06039	0.4
147.11661	0.4
149.09595	0.4
151.03893	0.7
153.01883	0.4
154.99754	1.2
159.09164	0.8
159.11646	0.3
161.02354	1.1
163.07565	0.5
165.09123	0.3
168.00554	47.0
169.01347	3.9
175.14827	0.4
177.05438	0.5
181.01324	1.1
183.02910	7.5
183.04503	0.5
186.01608	22.1
187.02022	0.3
188.07155	0.6
200.04672	0.5
228.04164	0.6
229.04967	0.4
245.04509	1.1
246.05278	0.8
256.03534	1.0
257.04437	0.8
261.07690	0.7
271.06061	1.0
271.14462	0.8
271.20532	0.4
274.04776	0.5
284.03174	3.6
285.03925	1.0
285.11639	0.3
289.07126	0.4
299.05435	1.4
301.03336	0.9
302.04242	19.2
310.90839	0.3
317.06573	100.0
318.06885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
56.96576	0.3
65.03940	0.7
66.18832	0.3
67.05499	0.6
68.99785	0.4
69.03426	0.3
69.07063	0.3
76.51556	0.3
77.81315	0.3
79.05498	0.6
81.07042	1.5
92.02638	2.7
93.03414	2.4
93.07063	0.4
95.08628	0.5
98.21511	0.9
98.97591	1.0
108.67976	0.3
109.10194	0.4
112.99198	0.3
117.03381	0.3
121.02876	1.9
121.10160	0.5
126.03148	1.2
137.02344	0.6
137.05980	0.3
139.03897	1.3
145.02892	0.3
151.03905	1.2
153.01836	15.2
161.47282	0.3
165.01825	1.1
173.01277	0.4
177.05481	1.0
179.03366	0.3
179.37810	0.3
181.01361	0.6
187.03880	0.4
200.04774	0.6
201.05481	1.5
203.03371	1.1
217.04990	2.3
218.05811	1.0
219.03040	0.6
228.04152	3.2
228.94209	0.3
229.04984	6.9
229.07034	0.3
231.02859	0.9
243.06610	0.3
245.04478	4.0
246.05254	2.4
256.03549	0.8
257.04483	3.8
260.03143	0.9
269.10663	0.6
271.06039	0.4
273.03958	3.1
274.04761	6.1
284.03201	0.7
285.03952	7.6
302.01382	0.3
302.04230	21.1
317.06580	100.0
318.06821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01845	0.3
62.74490	0.3
64.88525	0.3
65.03940	0.4
67.20415	0.3
68.99807	0.6
69.07072	0.5
69.62183	1.7
70.06583	0.6
80.16042	0.3
84.04520	1.6
86.09712	5.2
86.10195	0.6
86.78490	0.3
87.10023	1.3
92.02629	2.6
93.03416	2.4
111.00832	0.5
121.02885	2.0
126.03165	1.0
129.06650	0.3
129.10162	0.3
130.05020	1.6
132.10207	0.3
139.03926	1.9
140.72295	0.3
151.03902	1.4
153.01836	14.5
157.13409	1.8
158.13747	1.4
163.03926	0.4
165.01855	1.2
166.02655	0.4
177.05458	0.6
183.89461	0.3
185.12866	0.7
186.13216	0.6
197.12981	0.4
200.04628	0.7
201.05490	1.8
203.03423	1.3
214.10733	0.4
215.13930	0.5
217.04965	2.5
218.05766	0.7
219.02945	0.6
220.26451	0.3
228.04167	3.1
229.04948	6.4
231.02917	1.2
232.03673	0.4
245.04430	3.3
246.05260	3.6
257.04434	4.3
260.03281	0.6
261.07690	0.4
271.06009	0.7
273.03946	3.0
274.04745	5.9
284.03214	0.7
285.03940	7.4
299.19769	1.0
300.93433	0.3
301.03516	0.4
302.04227	19.4
317.06564	100.0
318.06918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03965	0.2
55.05516	0.5
57.03439	0.2
65.03925	0.6
65.51314	0.1
67.05519	0.2
68.99817	0.4
69.03457	0.3
70.06592	0.9
70.75955	0.3
72.08156	1.2
73.08516	0.2
81.07090	0.2
84.04532	0.2
84.08137	0.8
85.02914	0.2
86.09712	0.9
87.10043	0.2
89.18387	0.1
91.05508	0.3
92.02628	2.5
93.03413	2.8
93.07049	0.2
95.04986	0.2
95.08573	0.1
97.02937	0.2
97.10194	0.2
98.97602	0.3
101.06030	0.2
105.07061	0.3
107.04962	1.5
109.02863	0.2
109.06528	0.1
110.07170	0.2
111.00829	0.4
111.04446	0.6
111.98974	0.1
119.08665	0.1
120.08112	0.3
121.02863	2.0
121.06548	0.1
122.03691	0.3
123.04485	0.3
125.09607	0.3
126.03151	1.0
129.10277	0.4
131.04938	0.3
133.02887	0.2
133.06483	0.2
137.02376	0.5
137.05994	0.4
139.03908	1.5
143.11824	0.4
144.12186	0.2
145.02913	0.2
145.06491	0.3
146.11801	0.4
147.04422	0.2
150.03160	0.2
151.03918	1.3
152.01212	0.2
153.01836	15.3
155.04973	0.3
161.06015	0.2
162.03299	0.2
163.03938	0.4
165.01804	1.2
166.02606	0.2
167.07053	0.1
168.00609	0.2
171.11423	0.2
173.05992	0.4
177.05481	0.3
179.03445	0.2
179.07082	0.2
183.02905	0.5
183.04398	0.3
187.03947	0.2
187.11183	0.2
189.05626	0.1
189.11243	0.2
190.06342	0.2
199.07620	0.1
200.04654	0.7
201.05501	1.2
203.03380	1.4
217.04993	2.3
218.05768	1.0
219.02924	0.5
228.04170	3.0
229.04974	6.5
231.02982	0.8
239.03372	0.2
245.04469	3.4
246.05252	2.8
247.02393	0.2
256.03668	0.5
257.04468	4.3
260.03253	0.7
261.07562	0.4
271.06061	0.3
273.03955	3.3
274.04742	5.8
281.08951	0.2
284.03143	0.9
285.03952	7.0
286.04669	0.3
288.06210	0.4
299.05499	0.2
301.03500	0.4
302.04224	20.5
303.04562	0.2
317.06561	100.0
318.06943	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.00375	0.1
55.05519	0.2
56.96558	0.1
57.07066	0.2
57.36942	0.1
65.03943	0.6
67.05504	0.2
68.99773	0.6
69.03427	0.2
69.07086	0.5
69.78552	0.2
69.78828	0.6
70.06582	0.6
72.08166	0.4
73.81894	0.1
81.07044	0.2
84.04528	0.5
84.08142	1.0
85.02938	0.2
86.09211	0.3
86.09707	2.5
86.10184	0.2
87.10065	0.5
91.05466	0.3
92.02623	2.7
93.03412	2.4
93.07106	0.1
97.02897	0.2
98.97623	0.3
105.07029	0.2
107.05002	0.2
108.11131	0.1
109.02898	0.3
109.06569	0.2
109.10210	0.2
110.07172	0.2
111.00844	0.3
117.07066	0.2
117.13577	0.1
120.02103	0.1
120.08115	0.4
121.02869	2.0
122.03647	0.2
124.01595	0.1
126.03121	1.1
129.10277	0.4
130.05031	0.3
130.06590	0.1
131.04921	0.1
133.02936	0.2
135.04405	0.1
137.02364	0.4
137.05997	0.4
139.03899	1.3
139.28488	0.1
139.94244	0.1
145.02783	0.1
145.06505	0.1
147.04582	0.1
150.03162	0.2
151.03900	1.1
153.01830	15.4
155.04942	0.3
157.13387	0.6
158.04521	0.2
158.13737	0.3
161.06017	0.3
163.03941	0.4
165.01822	1.0
166.02628	0.2
173.06000	0.4
176.04790	0.1
177.05484	0.4
179.03392	0.2
183.03011	0.3
183.04482	0.3
185.12927	0.2
186.13261	0.2
187.03922	0.3
189.05640	0.2
190.06230	0.2
192.04240	0.2
200.04720	0.5
201.05472	1.5
203.03400	1.3
204.04218	0.1
214.10829	0.2
217.04971	2.8
218.05685	1.2
219.02946	0.5
228.04155	3.0
229.04965	6.6
231.02858	1.0
232.03670	0.2
235.09587	0.2
239.03365	0.2
243.06590	0.3
245.04459	3.2
246.05247	3.1
252.09898	0.1
253.10519	1.2
256.03748	0.6
257.04462	3.7
260.03119	0.6
261.07599	0.3
271.05951	0.3
273.03934	3.3
274.04739	6.2
284.03241	0.9
284.53793	0.1
285.03952	7.4
285.13141	0.6
286.04663	0.3
287.02051	0.1
288.06418	0.4
299.19699	0.4
301.03381	0.4
302.04224	19.5
317.06558	100.0
318.06958	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2849
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.26212	0.3
53.02942	0.3
55.01870	0.5
55.05515	4.8
56.05035	3.9
56.96569	0.3
57.03433	0.9
57.07079	2.8
58.02967	0.4
60.04530	100.0
65.03933	0.3
65.30135	0.3
67.05508	8.1
68.05037	0.5
69.07076	5.6
69.95126	0.9
70.06596	1.3
70.19343	0.3
71.08637	0.9
72.04521	1.8
73.02919	0.4
73.66834	0.3
74.06078	2.2
79.05495	3.4
80.05018	0.9
81.07058	8.6
82.06582	1.7
83.04996	0.5
83.08624	3.3
84.08170	0.3
85.10181	0.3
86.06080	0.5
87.04491	1.2
88.07619	0.4
90.05557	1.6
91.05482	2.5
93.07041	3.1
94.06592	0.7
95.04978	0.4
95.07352	0.5
95.08616	8.3
96.08138	0.7
97.06563	0.5
97.10172	2.1
98.06076	0.7
100.07627	0.6
105.07041	1.3
107.08597	1.2
109.10164	2.9
111.11734	0.4
112.07621	0.6
116.07069	0.4
119.08607	1.6
121.10165	1.1
123.11723	1.0
129.09042	0.3
130.08696	0.3
133.10135	0.8
135.11699	1.1
137.13304	0.4
147.11620	0.4
188.57454	0.4
219.20926	0.3
230.02792	0.3
239.23875	0.3
245.22623	0.5
250.25281	1.5
251.23712	0.6
256.26358	0.4
262.25272	1.3
263.23840	0.3
268.26346	0.4
280.26355	12.5
298.27405	14.2
316.28473	57.0
317.29007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05517	4.3
56.05046	4.0
57.07084	2.4
57.23614	0.6
60.04533	100.0
67.05514	7.1
69.07077	6.2
70.69003	1.5
71.08654	0.9
72.04529	2.1
74.06091	2.0
79.05506	3.3
79.83017	0.6
80.05036	0.9
80.61662	0.6
81.07068	7.4
82.06606	1.7
83.08614	3.2
86.06093	1.0
90.05585	1.6
91.05504	1.9
93.07085	3.4
94.06595	1.0
95.08614	8.0
96.08192	1.0
97.06563	0.9
97.10206	1.9
105.07113	1.2
107.08600	1.3
109.10193	2.3
112.07619	0.8
119.08611	1.0
121.10175	1.1
123.11720	0.8
133.10181	0.9
135.11678	0.6
137.13219	0.8
218.84677	0.7
250.25368	1.5
262.25400	2.0
280.26382	13.5
298.27414	14.4
316.28494	55.3
317.28918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0658
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
54.76628	0.2
55.01872	0.8
56.02649	0.4
64.98386	0.2
66.01075	0.3
67.57804	0.2
68.99794	2.3
69.03442	0.2
70.00574	0.3
70.64086	0.3
70.64466	0.3
71.01349	0.8
72.46721	0.2
79.05484	0.2
81.03387	0.2
84.02126	1.3
91.05470	0.6
95.01312	0.3
95.04992	0.2
96.96761	0.2
99.00831	3.6
103.05502	0.2
105.03401	0.7
107.05006	0.4
109.02875	0.2
112.01600	4.6
127.00298	5.0
129.95058	0.2
134.03644	2.1
135.04445	0.6
137.02325	0.4
140.01050	3.6
141.07001	0.3
147.04520	0.2
148.16588	0.2
148.65004	0.2
153.01776	0.3
153.07057	0.3
154.36171	0.2
154.99756	1.0
155.08548	0.7
158.03638	0.2
161.02351	1.3
165.07043	1.3
168.00560	49.6
169.01335	4.2
171.04439	0.4
179.03401	0.3
182.00757	0.2
182.02101	1.0
183.02921	8.1
183.08086	2.2
186.01614	19.8
188.13351	0.2
193.07657	0.3
196.05179	0.2
197.04466	5.9
197.05882	0.3
199.03912	0.2
200.03185	0.3
200.04826	0.2
210.27464	0.2
211.07555	0.7
225.05394	0.2
228.04192	0.5
229.05046	0.4
239.03378	0.2
239.07063	3.1
241.04866	0.4
243.06412	0.2
243.10211	0.5
245.04500	1.2
246.05240	0.4
256.03683	1.3
256.07324	0.9
257.04492	0.7
261.07617	0.8
271.06161	0.9
271.09711	2.0
273.03918	0.3
274.04846	0.5
284.03198	3.3
285.04044	0.6
287.81580	0.2
289.07184	0.4
299.05557	0.6
299.09219	0.8
301.03488	0.6
302.04239	18.8
303.04617	0.2
317.06595	100.0
318.07153	0.9
324.83987	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
56.96573	0.8
67.05504	0.4
69.03432	0.4
69.07073	4.9
69.96422	1.4
70.06585	1.7
72.08156	1.6
79.05495	0.7
81.03407	0.6
84.04523	0.7
84.08143	1.6
84.96036	0.5
85.02895	1.3
86.09707	100.0
87.10014	0.3
87.25181	0.4
89.03933	0.8
89.07170	0.8
91.05487	0.8
97.02869	0.5
98.97572	1.2
107.04964	0.6
114.09174	1.0
117.03370	1.2
119.04969	0.5
121.06481	0.4
123.10183	0.3
129.10233	0.5
130.04990	0.7
130.06514	0.7
132.10196	3.9
135.04425	1.8
137.06004	2.0
138.06258	0.4
145.02843	1.6
147.04460	0.6
151.03903	1.6
153.01807	2.8
157.13367	63.4
158.99551	0.5
163.03915	11.2
177.05437	1.0
185.12859	27.2
201.05432	0.4
203.13980	1.8
206.09558	0.9
209.11852	0.5
223.06470	0.5
228.04228	0.5
228.06430	0.5
229.05008	1.0
234.09160	0.7
245.04546	0.9
245.18591	1.6
246.05243	0.7
252.10248	5.2
257.04373	0.6
273.03909	0.7
274.04706	1.3
283.08517	0.8
284.12735	3.6
285.03964	2.2
299.09088	0.7
302.04196	4.6
316.12012	0.7
317.06564	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.6
69.07072	0.7
69.63023	0.7
69.63432	0.9
70.06599	1.6
72.08163	1.1
84.04512	8.2
84.08160	1.0
85.02886	0.5
86.09708	100.0
87.10038	0.3
88.04047	0.3
91.05487	0.7
93.07063	0.3
98.97583	0.3
115.05534	0.3
117.05814	0.3
118.06561	2.5
119.04926	0.4
120.08122	0.9
121.06503	0.6
122.85590	0.2
124.03966	0.3
125.07117	1.8
129.10243	0.6
130.06531	16.5
132.08101	6.9
132.10199	6.2
135.04367	0.3
135.81369	0.3
137.05995	1.2
139.05049	0.9
142.06529	1.1
144.08067	2.2
146.06009	9.3
153.06590	1.5
157.13368	55.0
158.13777	0.5
159.09203	4.3
162.05525	0.5
163.03954	1.0
163.05852	0.5
168.00577	0.9
169.07622	0.9
170.06015	3.0
185.12863	30.3
186.01630	0.4
187.08696	1.6
188.07074	16.1
199.18076	0.3
203.13974	0.8
205.09726	6.0
225.10265	2.2
245.18610	3.4
252.10623	0.3
253.09767	0.8
270.12402	7.5
280.10770	0.8
284.09915	0.4
284.12988	0.4
295.11075	0.3
298.11920	1.3
316.12921	5.1
316.22327	0.6
317.06616	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11486	0.6
53.03943	0.9
55.01870	0.8
55.05511	5.8
56.05024	1.5
56.96561	7.2
59.90820	0.7
60.04515	0.6
60.05589	0.6
66.38416	0.6
67.05507	0.9
68.80734	0.7
68.99810	1.6
69.03424	2.0
69.07057	1.2
70.06592	9.2
70.98137	0.8
71.01356	0.6
71.04986	0.7
71.24934	1.1
71.95235	0.7
72.08154	100.0
73.91006	0.6
74.06089	0.7
79.05473	1.2
80.44463	0.7
81.03411	0.7
81.07078	1.1
84.04510	1.6
84.08142	8.0
84.96011	1.0
85.02910	1.2
85.63197	0.6
86.09705	60.7
87.10012	0.8
91.05479	3.0
93.07043	1.5
95.08596	0.7
97.02917	2.5
98.97607	4.1
100.07628	2.0
103.05460	1.0
105.07037	1.3
107.04980	1.7
109.06419	0.6
110.07201	1.9
110.97577	0.9
111.04494	1.8
112.08746	0.6
116.07096	1.1
116.98605	1.2
117.03361	0.8
119.04951	0.8
119.08555	0.6
119.91931	1.1
120.08089	3.6
121.06509	1.6
121.10184	0.6
129.07024	0.7
129.10269	3.6
130.06534	0.7
130.12587	0.7
131.04953	3.6
132.10242	1.7
135.04437	1.3
136.07588	0.9
137.05974	5.1
143.11792	58.4
145.02892	2.4
146.03201	1.2
146.11757	55.5
148.05145	1.0
149.02327	0.7
149.06003	1.5
153.01903	1.5
157.13397	2.1
157.22966	0.6
161.01228	1.3
161.05959	0.8
163.03937	2.7
164.07091	0.7
164.29250	0.6
168.00551	3.5
170.11853	0.8
171.11275	28.9
177.00668	0.8
177.05560	2.7
178.05879	1.5
179.05952	1.0
185.12881	1.5
186.01593	4.4
214.06200	1.1
217.15550	2.6
219.01819	1.7
221.05342	0.9
226.08635	0.8
237.02858	0.7
239.06328	0.7
245.18719	1.8
249.08183	0.9
256.10635	1.0
267.09360	1.7
284.10016	2.7
293.07498	1.0
298.04776	1.8
301.03378	0.7
302.04263	1.6
303.05090	2.5
316.05591	5.8
316.08389	1.0
316.09058	1.5
316.12076	1.2
316.19077	0.7
317.06458	5.2
321.12418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.6
56.05040	1.1
57.05830	0.6
60.04527	8.4
60.05651	0.5
69.03418	1.2
69.07077	3.5
70.02955	0.8
70.06596	35.2
71.06906	0.4
71.45375	0.6
72.08158	78.4
73.08492	0.5
74.06068	0.7
75.89576	0.5
84.04502	5.7
84.08150	3.6
85.02901	1.3
86.09710	100.0
87.05595	5.1
87.10041	0.9
88.03991	1.0
91.05493	1.0
95.06106	0.7
96.08141	0.5
97.02895	0.8
97.65465	0.5
98.06065	0.6
98.97564	0.4
101.07139	0.5
102.05534	0.8
110.07125	0.7
111.04455	1.4
112.08736	0.9
112.11267	0.6
115.08665	0.8
116.07098	70.0
118.06565	1.2
118.08640	1.2
119.04948	1.0
120.08119	0.8
124.07560	0.5
125.07164	1.1
128.10715	3.9
129.10217	1.9
130.06532	8.2
130.08517	0.5
132.08101	4.0
132.10155	0.8
136.06233	1.0
136.07547	1.0
137.05977	3.9
138.06328	1.7
139.03952	0.5
142.06470	0.6
144.08066	0.9
146.06006	5.3
151.04001	0.6
153.01787	1.5
153.06580	0.9
154.08615	2.2
157.09648	0.6
159.09181	1.8
163.03886	1.2
170.05969	2.2
171.14932	25.9
173.12869	32.1
185.05602	0.5
187.08632	0.7
188.07043	9.2
199.14427	18.5
199.18060	16.7
201.12335	8.0
203.13910	3.8
205.09750	3.0
217.04909	0.5
217.15515	3.3
224.07950	0.7
225.10176	1.2
227.17551	9.7
229.04858	0.8
232.09872	0.5
238.09358	0.9
250.62624	0.7
253.16614	1.4
266.08786	0.6
270.12372	5.1
274.04776	0.7
280.10583	0.6
283.14996	0.5
284.09888	1.0
285.03790	0.6
298.11703	0.8
302.04120	2.0
306.18100	0.5
316.12753	2.8
316.18530	0.6
316.22202	1.0
317.06570	10.5
317.11938	2.5
326.10245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52617	0.3
55.01868	0.5
57.03429	0.9
61.02917	1.1
65.03917	0.4
69.03438	1.9
70.06603	0.3
70.58701	1.0
70.59055	0.3
71.86088	0.3
73.02909	0.4
81.03429	0.8
84.08154	0.5
85.02908	7.6
86.09710	0.6
91.03957	0.5
91.05486	14.3
97.02891	2.2
98.21553	0.3
99.04459	0.4
109.02879	0.7
109.06510	1.0
119.04948	10.1
127.03917	1.1
135.45015	0.3
137.05981	100.0
140.52440	0.3
145.04967	1.1
154.08641	13.5
211.51657	0.3
221.01759	0.3
244.85486	0.3
298.12915	0.6
299.11368	0.5
316.13943	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	316.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.4
55.05512	1.1
56.96553	0.6
60.04529	14.4
65.30498	0.4
66.54608	0.5
67.05490	0.4
68.05012	0.6
68.59668	0.4
69.03448	0.7
69.07060	2.0
69.97641	1.1
70.02951	1.0
70.06598	57.9
71.04971	0.6
72.08157	11.4
74.06120	0.6
84.04512	4.0
84.08158	3.7
85.02902	1.1
85.49589	0.4
86.09714	61.3
87.05597	8.4
87.10049	0.7
88.03997	0.6
91.05514	1.0
97.02934	0.6
98.20858	0.6
98.97616	0.7
102.05539	0.9
110.07204	0.8
110.09686	0.7
112.08794	0.8
112.11272	0.6
115.08702	0.6
116.07102	100.0
118.06532	0.7
119.04945	1.6
120.08135	1.3
123.04449	0.7
123.85659	0.5
128.10724	5.8
129.10252	1.6
130.05028	0.9
130.06535	3.9
132.08109	1.7
132.10184	0.8
133.02869	0.7
136.07571	0.5
137.05992	2.1
146.06035	2.2
147.04430	2.2
154.08690	0.9
157.09718	2.7
159.09158	0.7
163.03955	1.3
170.06044	0.7
171.14978	2.8
173.12872	47.3
179.06995	2.3
181.13461	0.5
185.09213	2.9
187.08742	0.5
188.07091	3.8
196.01381	0.5
199.14503	1.6
199.18086	4.8
201.12363	12.7
205.09752	1.3
227.17520	1.0
229.15453	4.1
232.09781	0.9
256.10388	0.6
257.08737	0.6
266.06458	0.6
270.12271	1.8
298.11853	0.5
316.08401	0.7
316.12015	2.8
316.18503	2.7
317.12009	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
57.03438	0.4
61.02921	0.9
65.03943	0.3
69.03436	2.1
70.06605	1.3
71.02171	0.4
71.02495	0.4
71.04985	0.3
73.02921	0.4
81.02995	0.2
81.03431	0.9
81.07121	0.3
84.79196	0.3
85.02910	6.0
87.17014	0.3
91.03958	0.5
91.05480	14.3
97.02899	2.0
97.91685	0.3
99.04443	0.4
109.02873	0.6
109.06514	0.8
116.07124	0.4
119.04944	9.9
127.03954	1.3
137.05981	100.0
145.05011	0.8
153.69536	0.3
154.08635	12.0
179.06992	0.4
196.09688	0.3
200.12149	0.2
218.08916	0.3
268.99963	0.3
298.12732	0.4
299.11157	0.6
300.15878	0.4
316.13910	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	315.2532
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
55.01884	3.6
55.05517	17.4
57.07061	5.3
60.04531	11.2
65.03926	2.7
67.05507	77.9
69.07071	32.3
69.80643	9.6
71.05002	12.7
79.05497	27.5
81.07059	99.3
83.04985	4.7
83.08627	16.0
85.06522	6.7
91.05478	14.3
93.07055	25.0
95.08611	100.0
97.06507	7.5
97.10181	10.8
98.20782	4.8
98.97565	4.7
99.08097	6.4
105.07037	11.9
107.08599	18.9
109.06535	3.7
109.09476	4.0
109.10158	51.6
111.11686	2.5
117.06985	2.9
119.08573	9.2
121.10168	19.6
122.07614	2.3
123.11698	21.5
125.09594	2.4
125.99898	2.2
131.08578	7.7
133.10132	11.6
135.08040	4.6
135.11720	15.0
137.09625	3.6
137.13263	11.3
141.27902	2.0
145.10132	5.7
147.11635	11.3
149.09642	3.7
149.13254	6.9
151.11139	2.9
151.14815	4.7
155.10678	2.7
159.11635	6.3
161.13321	13.8
163.14842	4.9
165.12769	7.5
173.13263	4.5
175.14760	3.2
179.14333	8.2
187.14812	3.6
195.13756	3.3
209.15373	4.7
211.64067	2.2
223.16866	3.9
232.46796	2.3
243.21225	11.2
261.22153	33.5
279.23199	84.3
280.29041	2.3
288.77075	2.5
297.24203	19.6
299.59387	2.6
315.04706	3.8
315.08145	5.0
315.18903	2.2
316.28363	5.4
339.65250	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.4
55.05518	0.4
59.05028	0.5
69.03434	3.7
69.93650	1.9
70.06594	2.1
70.75381	0.4
71.01361	3.4
71.05002	0.4
72.08167	1.1
73.02913	3.3
75.04484	9.4
78.03450	3.2
80.05032	2.4
81.03419	2.9
83.01345	4.1
84.04520	0.5
84.08159	1.1
85.02906	2.3
86.09719	1.1
87.04488	1.8
89.81190	0.3
96.04514	2.3
97.02903	11.4
98.21483	0.5
99.00841	0.7
101.02383	9.6
101.06014	0.9
106.02927	7.7
109.07656	3.1
110.08661	0.4
111.04446	3.2
113.02377	2.3
115.03952	2.2
116.07118	1.3
116.77554	0.4
119.04951	0.4
124.03962	100.0
125.02364	3.3
125.04254	0.4
126.10313	0.4
127.03916	1.6
129.05490	10.9
129.10240	1.1
130.08752	0.4
131.03482	0.7
137.05995	0.9
138.05510	15.9
143.03427	2.9
147.04401	1.2
147.06544	0.8
148.23766	0.4
157.04958	2.1
160.99969	0.4
173.12875	0.8
175.06052	0.6
193.07086	11.6
201.12349	0.7
298.09207	9.5
316.06754	0.8
316.10187	15.2
316.12793	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3-O-Methylalnusin
Peak:m/z	Relative Intensity
55.01875	0.4
55.05496	0.6
56.96554	1.0
57.07070	0.4
60.04523	0.7
66.47903	0.3
67.05494	1.0
68.99781	3.1
69.07060	0.5
69.60527	1.8
71.08609	0.5
79.05482	1.0
80.02617	0.5
81.07040	1.0
82.75548	0.3
83.08575	0.4
84.02092	0.4
85.02896	0.5
90.04707	0.3
91.05473	0.9
93.07057	0.7
95.04943	0.5
95.08594	0.8
97.06549	0.3
98.03667	0.6
98.20806	0.6
98.97569	1.3
103.05468	0.3
105.03391	0.6
105.07009	1.0
107.04926	0.3
107.08578	0.4
108.02087	3.6
109.10147	0.4
111.00787	0.6
112.64174	0.3
116.98587	0.5
117.03365	0.3
118.04106	0.7
119.08508	0.5
121.02843	1.0
121.06499	1.1
121.10129	0.5
122.06810	0.6
123.00726	0.4
126.03092	0.6
133.02803	0.6
133.10121	0.3
136.01566	16.3
139.00287	1.9
145.02835	1.7
145.06448	0.4
145.10100	0.4
146.03203	0.5
147.04353	0.6
151.00302	0.6
153.01810	1.8
154.02615	15.7
163.99873	0.4
164.01064	4.1
165.01843	0.5
166.99744	0.4
169.04926	0.4
173.06023	0.4
177.05511	1.7
178.05786	1.8
181.01320	1.5
182.02107	32.2
183.04340	0.3
189.05203	0.3
193.01317	1.0
195.08012	0.4
197.04462	4.9
200.03162	30.4
201.05380	0.4
207.55246	0.3
208.05252	0.5
208.32600	0.3
226.06149	0.5
229.04721	0.3
236.04640	0.7
239.03323	0.4
241.04964	1.0
254.05721	1.4
259.05939	0.4
259.09613	0.4
264.04193	1.2
267.02652	0.4
268.03757	0.3
269.04510	1.1
269.07803	0.4
282.05191	3.5
283.06067	0.5
283.09601	1.0
285.03851	0.5
287.05414	0.5
296.25867	0.6
297.02945	1.6
297.07593	0.6
297.18442	0.6
297.23108	0.3
297.26224	0.7
299.05380	0.4
300.06229	5.2
315.04944	17.4
315.08560	100.0
316.05582	0.4
316.09058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.45419	0.2
56.02645	0.2
61.38330	0.2
64.80081	0.2
68.99792	1.5
70.76147	0.4
71.01308	0.2
79.05473	0.3
84.02123	0.2
91.05470	0.3
92.02582	0.3
99.00805	0.5
103.05451	0.4
105.07037	1.7
106.04144	0.2
107.04965	0.4
112.01587	0.6
115.05484	0.5
118.04229	1.2
119.04960	0.2
121.02853	0.9
122.06898	0.3
127.00267	0.5
128.06163	0.3
129.06958	0.3
130.04121	0.3
131.04936	7.2
132.05724	1.1
133.06505	3.6
134.03638	0.4
139.00240	0.6
140.00984	0.3
144.05702	1.0
145.10207	0.2
147.04422	0.5
153.01823	0.9
153.05501	1.1
154.02600	0.5
156.05714	0.5
165.01775	0.3
166.99768	1.0
168.00552	6.3
169.01331	13.0
169.06477	0.3
170.07225	0.4
170.97118	0.2
173.13164	0.2
177.05388	0.3
178.05829	0.6
179.03389	1.3
180.05681	0.4
182.02074	1.0
183.02898	0.6
183.04385	0.4
184.05258	0.5
185.00792	1.9
185.05980	0.4
186.01610	2.9
190.51659	0.2
194.02127	0.6
197.06023	0.4
200.03145	0.4
208.05179	0.8
209.04356	0.4
209.06107	0.4
225.05446	0.4
226.06299	1.0
227.07045	0.3
229.05058	0.3
236.04645	1.6
237.05431	0.6
239.03371	0.5
241.04869	0.3
253.02975	0.2
253.04971	6.8
254.05743	9.4
255.06517	1.0
264.04071	0.6
265.05023	0.6
267.02869	0.3
268.03690	1.0
269.04459	23.0
270.05118	0.5
271.06058	1.4
276.04193	0.2
281.04541	1.5
282.05246	15.6
283.05899	0.7
285.03958	2.5
299.05460	2.7
300.06305	14.3
315.08618	100.0
316.09015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
55.01884	2.4
55.05531	1.5
56.96558	3.4
57.07079	1.6
60.04536	8.9
67.05487	3.4
68.99800	1.8
69.07077	1.8
69.74623	3.2
69.75018	2.6
77.28723	1.1
79.05505	2.5
81.03410	1.4
81.07044	3.3
83.08601	1.4
84.08145	1.3
85.02905	1.6
86.09702	1.4
91.05492	2.6
93.07036	4.5
94.07326	1.2
95.08583	3.9
98.97601	5.7
105.03394	1.5
105.07050	3.0
107.05008	2.7
107.08572	1.5
109.06527	1.3
109.65199	1.0
116.97554	0.9
116.98628	3.6
119.08602	1.8
121.06556	6.6
121.10170	2.5
122.06851	3.5
122.10458	1.3
131.04948	1.4
131.08551	1.5
133.10182	1.4
135.04399	1.8
136.01567	1.3
137.06018	6.5
145.02863	4.3
145.10100	1.8
146.03160	2.2
147.08051	1.3
153.01863	2.0
155.05017	1.8
159.11647	2.1
161.02390	2.5
161.06039	1.5
164.38420	1.2
165.01781	5.9
177.05511	6.4
178.05804	6.5
181.01338	21.9
183.02887	3.1
183.04411	2.2
195.08006	1.6
201.05505	1.5
211.03937	1.4
211.07823	1.4
223.07466	1.5
229.04085	1.3
239.03363	1.2
241.04959	2.4
242.05748	2.6
242.77771	1.3
254.01053	2.2
254.05754	6.7
257.04532	2.6
269.04608	9.6
269.22543	2.0
271.06046	12.1
282.05246	4.6
283.06436	1.8
283.09692	5.0
285.03860	2.9
286.04660	4.8
297.03925	6.2
297.07578	25.7
299.05521	51.4
300.03067	1.7
300.06317	10.2
314.26981	3.9
315.04959	84.0
315.08609	100.0
315.14331	5.3
315.23477	2.2
315.27255	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0864
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05510	0.6
62.66433	0.3
64.33803	0.3
65.03919	0.4
67.05516	0.5
69.07084	0.5
71.51682	0.5
71.52069	0.6
79.05496	0.5
80.08865	0.3
81.03438	0.4
81.07055	0.6
86.09696	0.8
89.03915	1.1
91.05484	1.3
93.07034	1.2
95.04987	0.5
95.08605	1.0
98.97585	0.9
103.05466	0.4
105.03419	0.5
105.07024	1.5
107.04945	0.6
107.08593	0.7
108.02155	2.6
108.02784	0.5
109.10155	0.4
117.03387	0.5
118.04182	0.7
119.04955	1.4
119.08601	0.9
121.02876	0.4
121.06528	1.8
121.10110	0.4
122.06848	1.6
131.04956	0.9
131.08559	1.0
133.02844	0.5
133.10161	0.6
135.11693	0.5
136.01559	0.5
137.05986	0.6
145.02864	12.1
145.10135	0.6
146.03217	1.0
151.03949	0.5
152.01021	0.7
152.06190	1.8
153.01813	1.0
153.07031	0.6
154.02603	1.3
154.06319	0.5
157.06505	0.3
159.11700	1.0
161.05992	0.9
161.09599	0.8
165.01740	0.6
165.07018	0.6
169.01485	0.5
169.04985	0.9
169.06502	1.4
170.07260	0.5
177.00513	0.4
177.05527	2.5
177.06950	0.5
178.05815	3.1
180.05701	1.0
181.01321	2.9
181.06514	0.8
182.02141	2.6
184.05238	0.5
194.07265	0.4
195.08105	1.0
197.04442	4.7
197.06055	1.5
198.06717	0.7
199.07541	1.3
200.03220	0.7
205.12236	0.5
208.05225	3.0
209.05965	0.5
212.04709	0.4
223.07616	0.9
225.05453	1.0
226.06253	1.7
227.07104	0.6
227.11877	0.7
236.04790	0.7
237.05539	0.4
240.07802	0.9
243.06413	0.7
244.03967	0.4
251.07178	0.6
253.05028	1.8
254.05771	11.9
255.06459	0.8
255.10141	0.5
259.09647	0.5
269.04486	0.7
269.08109	1.0
269.19086	0.4
271.06018	5.4
281.04501	1.3
282.05249	9.2
283.09610	3.7
285.03940	1.2
286.04736	1.7
287.09076	0.8
297.03876	0.5
297.07651	0.5
299.05524	13.6
300.02661	4.8
300.06274	6.0
315.05136	6.7
315.08630	100.0
316.08942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0501
Annotation	Wedelolactone
Peak:m/z	Relative Intensity
53.00311	0.4
55.01871	0.3
59.12249	0.2
60.04511	0.5
65.03935	0.5
67.05490	0.5
68.99792	0.7
71.08632	0.2
71.33569	0.5
79.05479	0.9
81.03418	0.4
81.07031	0.5
85.02917	0.5
85.85945	0.3
91.05465	0.6
92.17893	0.2
93.07048	0.6
95.01310	1.1
97.02914	0.3
98.97579	0.6
103.05477	0.6
105.03410	1.3
105.06991	0.4
107.01312	0.4
107.04926	1.5
107.08556	0.4
109.10126	0.2
111.04494	0.3
115.05466	1.1
116.98629	0.3
117.07055	0.3
121.02878	8.6
121.06509	0.9
122.06863	0.5
123.00787	2.0
123.01553	0.3
124.01562	0.3
125.02350	0.3
129.07002	0.4
131.04930	0.9
133.02875	2.0
133.06479	0.4
135.04446	0.4
137.02318	1.2
139.00217	0.4
139.05429	0.4
141.06923	0.3
145.02867	1.3
145.06500	0.9
146.03204	0.3
147.04413	1.6
151.00282	4.5
153.01820	0.9
154.02631	4.1
155.04942	1.3
157.06514	0.8
161.02354	0.4
161.06017	0.3
162.75671	0.2
163.00252	0.5
165.01886	2.0
168.09726	0.2
169.01340	0.3
171.04451	0.5
173.02385	0.3
173.05925	1.8
175.79027	0.3
177.05536	0.5
178.05830	1.2
179.03265	0.2
181.01331	8.2
182.01709	0.2
183.04488	1.6
185.06018	0.8
187.03972	0.5
193.01369	4.8
199.03885	0.4
201.05411	1.8
211.02316	1.3
211.04013	0.8
213.05476	1.1
223.03883	0.2
224.93677	0.2
229.05042	0.4
231.06526	0.4
239.03372	0.7
241.04999	5.7
257.04456	0.8
259.06003	2.1
267.03079	0.4
269.04480	7.2
269.07678	0.4
283.09766	0.6
285.03949	1.4
286.04758	1.2
287.05527	1.5
297.03091	2.6
300.06534	0.4
315.04990	100.0
316.05371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.05
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
53.00322	0.2
53.03944	0.3
55.01863	0.7
55.05505	0.3
56.96571	0.5
57.07061	0.3
60.04532	2.9
67.05489	0.9
68.99777	1.1
69.03409	0.2
69.07063	0.6
69.26305	1.9
70.06577	0.2
72.08153	0.2
79.05473	0.6
81.03412	0.5
81.07050	0.7
83.08649	0.3
83.35628	0.2
85.02905	0.3
89.03940	0.5
91.05487	1.0
93.07033	0.6
95.01337	0.5
95.04963	0.4
95.08591	0.8
96.20880	0.2
97.02917	0.4
98.97583	0.3
103.05480	0.4
105.03405	1.9
105.07019	0.6
107.04957	1.1
107.08583	0.7
109.10149	0.3
115.05455	0.9
116.20100	0.2
117.03324	0.3
117.07019	0.8
121.06490	0.7
121.10151	0.5
122.06854	0.6
123.00780	2.1
125.02344	1.2
127.05415	0.2
129.07013	0.5
130.99164	0.2
131.04933	0.5
131.08589	0.5
133.02853	0.5
133.10152	0.3
134.03619	0.2
135.04387	1.3
135.08044	0.3
136.01636	0.2
137.02319	0.7
139.05417	0.5
141.06990	0.3
143.04979	0.5
145.02893	1.0
145.03941	0.2
145.06476	0.6
146.03165	0.6
147.04417	0.2
149.02370	0.5
151.00307	1.3
153.01817	1.0
155.04944	2.2
155.06076	0.3
157.06517	0.5
159.04433	0.4
161.02353	4.9
161.05988	0.3
163.03946	0.5
165.01903	0.3
167.04910	0.2
169.01408	0.4
171.04433	0.7
173.05945	0.7
175.03958	0.5
177.01884	1.1
177.05472	1.1
178.02625	0.3
178.05811	1.0
180.00496	1.0
181.01324	24.6
183.04457	2.3
185.05984	0.6
187.03900	0.3
189.05479	0.4
191.03412	0.3
193.01349	0.8
195.04398	0.5
195.08124	0.3
199.04051	0.3
201.05466	1.4
203.07124	0.3
206.02129	0.6
207.02835	0.4
211.03976	2.2
213.05540	1.5
215.03418	0.5
217.04916	0.6
219.02950	1.4
223.03900	0.3
223.07600	0.4
229.05063	1.2
231.06569	0.8
239.03319	1.4
240.04202	0.3
241.04964	3.3
241.07164	0.3
242.05750	0.4
245.04449	1.0
257.04483	3.6
259.05957	2.9
267.02869	0.6
269.04462	12.8
269.22504	0.3
271.05963	1.3
283.06223	0.3
283.09674	0.9
285.03979	0.5
286.04657	0.4
286.82358	0.2
287.05469	1.5
296.25751	0.3
297.03989	4.3
297.22226	0.4
299.05524	3.8
300.02988	0.4
300.06284	1.5
301.49374	0.2
314.26910	1.3
315.05005	100.0
315.08487	8.9
315.23242	0.9
315.27249	1.0
316.05350	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0501
Annotation	Gomphrenol
Peak:m/z	Relative Intensity
53.00315	0.4
55.01881	0.5
55.05517	0.8
56.96578	0.5
60.04530	3.9
61.04854	0.3
67.05494	1.0
68.99801	1.3
69.07065	0.8
69.59077	1.7
70.06608	0.5
72.04520	0.6
72.08169	0.3
77.03935	0.5
79.05502	0.8
81.03419	0.3
81.07053	1.2
83.08621	0.4
85.02901	0.5
85.06570	0.3
89.03921	0.9
91.05475	1.0
93.07060	1.4
94.07355	0.4
95.01352	0.7
95.08591	0.8
97.02892	0.4
98.97594	1.3
103.05527	0.4
105.03414	2.4
105.07033	0.9
107.04969	1.3
107.08599	0.7
109.02876	0.3
109.10165	0.6
115.05474	1.3
117.03375	0.7
117.07060	0.4
119.08614	0.7
121.06525	1.0
121.10180	0.4
122.06844	0.6
123.00819	1.6
125.02368	1.6
128.06200	0.4
129.07021	0.5
131.04924	0.8
131.08539	0.3
133.10120	0.4
135.04436	1.8
137.02370	0.9
137.05878	0.3
141.06947	0.4
143.04924	0.3
145.02861	1.5
145.06485	0.6
145.10130	0.6
146.03227	0.7
147.04416	0.3
149.02322	0.4
151.00279	1.4
153.01860	1.4
155.04909	1.9
157.06537	0.4
159.04413	0.5
161.02344	4.5
161.06009	1.2
163.03905	0.4
167.04973	0.3
171.04372	0.7
173.05989	1.3
173.13200	0.4
177.01834	1.0
177.05467	1.8
178.05910	1.7
180.00533	0.5
181.01337	24.7
183.04431	3.0
185.05971	0.8
193.01338	0.8
195.04410	0.4
201.05482	1.2
203.06985	0.3
206.02153	0.5
207.02873	0.4
211.03906	2.0
213.05484	1.0
215.03455	0.4
217.05002	0.7
219.02925	1.2
229.05090	1.7
231.06561	0.8
239.03455	1.7
240.04120	0.5
241.04980	3.1
244.03658	0.5
245.04465	1.0
255.06604	0.6
255.10173	0.4
257.04480	4.0
259.06024	3.4
267.02893	0.8
269.01556	0.7
269.04465	12.8
269.22614	0.3
271.05963	0.7
283.06177	0.4
283.09702	1.1
284.10477	0.4
285.03885	0.8
287.05478	1.0
296.25909	0.4
297.04016	3.7
297.07233	0.4
297.22101	0.4
299.05511	2.2
300.06183	1.4
309.68661	0.3
314.26862	1.1
315.05011	100.0
315.08408	6.5
315.23212	0.9
315.27145	1.3
316.05359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0499
Annotation	Oblonginol
Peak:m/z	Relative Intensity
50.65252	0.3
51.78580	0.3
64.85504	0.3
67.05508	0.5
69.07078	0.3
69.52115	0.6
69.52519	1.2
79.05474	0.4
81.07054	0.6
82.80048	0.3
85.31413	0.3
91.05475	0.4
93.07047	0.6
95.08588	1.4
98.97591	0.3
103.05400	0.3
105.07041	0.7
107.08575	0.5
109.10171	0.5
112.19329	0.3
117.03324	0.4
117.07007	0.3
118.04169	0.4
119.08601	0.5
121.02909	0.4
121.06497	1.2
121.10173	0.4
122.06875	0.6
131.08600	0.3
134.03613	1.4
145.02867	0.9
145.10089	0.3
146.03316	0.9
147.04591	0.3
147.55731	0.3
160.05220	0.8
161.05997	0.8
170.03583	0.5
171.04428	0.3
172.05235	0.3
173.13356	0.5
174.03107	0.4
175.38046	0.3
176.01060	1.3
176.04721	0.3
177.05482	1.6
178.05870	1.4
184.71547	0.2
187.03981	0.3
188.04710	0.8
188.93404	0.3
194.02095	1.2
195.08034	0.3
197.06007	0.3
198.03099	1.1
199.03903	0.5
199.14835	0.4
200.04617	0.3
202.02597	1.2
216.04214	2.8
223.07539	0.5
226.02591	1.5
227.03423	0.5
230.02112	1.5
243.02878	0.4
244.03696	5.6
244.05858	0.2
254.02063	2.7
255.02853	1.0
255.10013	0.5
269.04245	0.4
269.22650	1.1
271.02353	1.2
272.03201	3.0
282.01633	0.3
282.05139	0.5
283.09628	1.8
287.05502	1.0
297.04388	0.4
297.07599	1.2
300.02652	100.0
301.02982	0.9
315.04984	98.1
315.23203	1.1
316.05438	1.2
335.63876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1388
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
53.03935	1.8
55.58360	0.5
56.14024	0.5
58.75677	0.5
69.41116	3.0
69.41525	1.1
89.03918	5.2
91.05491	6.8
93.07052	11.1
95.04987	1.8
98.20715	0.5
103.05473	9.0
105.04478	0.5
117.03392	20.3
121.06517	53.8
134.03676	1.1
145.02859	52.0
149.05998	6.2
162.03145	0.8
163.03964	0.6
177.05487	100.0
178.05826	1.0
185.33356	0.6
186.05617	0.7
194.08145	0.9
220.19490	0.4
239.31621	0.5
314.13882	37.2
315.14240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1387
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
50.01597	0.2
50.93716	0.1
51.02384	0.3
53.03739	0.1
53.03951	1.5
55.01867	0.2
63.02375	0.3
65.03930	0.1
69.39766	0.3
69.40174	0.9
73.65276	0.1
74.46982	0.1
76.51458	0.1
77.03929	0.6
78.04729	0.2
81.03446	0.1
89.03360	0.1
89.03473	0.1
89.03918	4.4
91.05484	6.9
93.07048	11.3
95.04969	1.4
103.05473	8.4
105.04515	0.9
106.01488	0.1
106.04200	0.4
107.05003	0.1
115.67948	0.2
117.03386	19.5
119.04942	0.6
121.06509	56.6
122.06838	0.2
129.04456	0.2
134.03651	1.1
135.04445	0.6
136.05142	0.3
142.46455	0.1
143.78374	0.2
145.02852	51.6
146.03200	0.3
147.04427	0.4
149.05983	6.0
151.07526	0.4
158.06059	0.2
162.03157	0.2
163.03905	0.9
164.07043	0.3
177.05476	100.0
178.05901	0.6
186.05476	0.8
194.08153	1.0
203.99455	0.1
204.06525	0.2
220.09702	0.2
240.74312	0.1
296.12900	0.4
314.13867	37.7
315.14279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1389
Annotation	N-Feruloyltyramine
Peak:m/z	Relative Intensity
51.02372	0.4
53.03941	1.5
55.01863	0.3
70.06596	2.2
70.90162	0.8
77.03961	0.6
79.05491	0.4
84.04498	0.3
84.08147	0.8
86.09703	1.7
89.03916	4.5
91.05479	7.0
91.11310	0.3
93.07050	9.8
95.04964	1.6
103.05473	8.9
104.05811	0.8
105.03371	0.4
105.04543	0.8
110.07159	0.4
116.03577	0.3
116.07055	0.4
117.03387	19.4
119.04955	0.7
120.08111	16.7
121.06512	55.5
121.08428	13.4
122.06918	0.5
130.08653	1.2
133.02855	0.7
134.03607	1.0
135.04417	1.0
137.05951	1.1
145.02850	51.0
147.04457	0.4
149.05991	5.3
151.07574	0.6
162.03085	0.6
163.03925	0.9
164.07092	0.5
165.89095	0.3
166.08649	0.8
167.08926	0.4
177.05476	100.0
178.05919	0.6
186.05586	0.9
194.08107	0.7
204.06461	0.4
231.05551	0.4
236.91521	0.3
243.92293	0.3
270.09335	1.5
282.14981	0.6
300.65793	0.3
314.13843	36.5
315.14307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.05522	12.1
57.03439	2.4
57.07070	5.9
59.36131	2.3
67.05508	19.2
69.07075	11.1
70.21800	9.1
71.04994	3.2
79.05511	10.9
81.03413	7.3
81.07060	17.3
83.04987	6.5
83.08616	8.0
85.06580	2.8
85.10198	11.2
91.05481	9.2
93.07059	11.3
95.04970	9.2
95.08629	12.6
97.10184	4.3
105.07049	10.5
107.08594	11.0
109.06548	3.6
109.10181	14.1
111.08111	2.5
113.09657	7.0
119.08582	5.7
121.10151	6.0
125.09647	4.4
133.10112	5.5
135.11734	2.1
140.00031	2.4
145.10133	3.4
147.11702	3.1
151.03889	2.9
151.11227	5.0
153.92171	2.1
165.12743	16.4
169.93706	1.9
173.11795	2.3
180.00497	12.4
198.01591	10.8
211.15071	2.0
277.21661	26.8
281.04401	2.6
295.02383	12.8
295.05777	5.2
295.22699	100.0
298.04718	2.5
313.07062	64.7
313.21362	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03258	0.4
50.31586	0.4
50.67595	0.5
53.00298	0.5
55.05514	6.6
57.03440	16.5
57.07079	46.1
62.60118	0.5
67.05503	7.4
69.06727	0.8
69.07070	9.0
70.10265	1.9
71.04975	0.5
71.08635	32.9
79.05502	0.7
81.07062	13.6
83.08163	0.6
83.08628	9.8
85.06585	0.5
85.10187	15.9
89.06037	3.0
93.07021	0.5
95.08617	17.6
97.09630	0.5
97.10178	4.6
98.21288	0.9
99.11697	0.8
103.07575	1.5
109.10164	7.6
111.08040	0.5
111.11702	1.3
113.13274	0.7
114.92841	0.4
123.11705	3.4
125.13251	0.7
135.11549	0.5
137.13271	1.4
151.14781	0.5
197.45018	0.5
239.23647	3.7
255.77620	0.5
257.24750	5.3
313.27374	100.0
314.27710	1.3
328.96579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76719	0.5
55.01868	1.4
55.05517	3.8
56.23498	0.4
56.96564	1.4
57.03419	1.1
57.07064	1.8
59.04981	0.5
67.05186	0.5
67.05512	6.9
68.99828	0.7
69.07066	3.8
70.27390	1.4
71.04986	1.7
71.08639	6.6
79.05504	3.2
81.07056	7.3
83.04978	2.1
83.08626	3.5
84.08150	0.5
85.06540	0.8
86.37177	0.5
91.05492	3.0
93.07050	6.0
95.04973	1.2
95.08615	4.4
97.06520	1.5
97.10173	1.5
98.20745	0.5
98.97586	4.4
99.08102	6.9
105.07052	2.7
107.04928	0.7
107.08588	4.5
109.06496	0.6
109.10171	4.2
110.07134	0.5
111.08077	1.0
111.11758	0.6
112.99142	0.6
113.09667	0.5
115.05425	1.3
116.98588	0.9
116.99741	1.4
117.03348	0.7
119.08601	2.5
121.06495	2.4
121.10139	2.2
123.08040	0.8
123.11706	0.8
125.09655	1.1
127.05389	0.5
127.11160	1.4
131.00159	0.7
131.08534	0.5
133.10112	1.9
135.11739	2.7
137.05977	0.8
141.12747	8.2
145.02837	2.3
145.10092	1.3
147.11685	1.9
149.13287	1.0
151.11197	1.5
153.12753	1.5
155.04903	1.9
158.99696	1.3
161.13272	1.8
163.11215	2.0
165.12749	0.8
169.12233	3.7
171.04471	2.6
171.11665	0.6
173.01237	0.7
175.14886	0.9
177.00780	0.7
177.05486	4.2
179.14325	1.0
183.04439	1.4
189.11336	0.9
199.03926	3.2
211.03891	4.3
227.03374	2.5
231.21088	0.6
239.03415	2.6
248.13568	0.7
259.20630	1.7
267.02844	1.1
277.21661	9.9
295.02393	100.0
295.22705	19.0
296.02765	3.5
304.12476	0.6
313.03397	9.8
313.06650	2.0
313.10706	1.2
313.21475	0.9
314.13831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
55.01878	23.7
55.05510	49.7
57.03429	9.0
57.07069	8.5
60.06693	3.7
67.05506	68.0
69.03410	6.0
69.07074	36.7
69.68175	21.1
71.05008	5.4
71.08633	31.3
72.08155	3.7
79.05492	42.6
81.03415	4.6
81.07063	81.8
83.04979	16.6
83.08622	38.5
85.10201	4.5
91.05489	41.2
93.07049	62.0
95.04965	12.6
95.08614	41.3
97.06540	22.2
97.10176	16.8
99.08084	27.4
105.07024	31.4
107.04990	4.2
107.08594	32.5
109.06533	7.3
109.10149	26.5
111.08071	17.3
113.09653	8.4
117.07050	4.3
118.13113	3.7
119.08565	19.0
121.06504	44.4
121.10127	18.4
123.08060	12.5
123.11704	12.9
125.09627	12.2
129.07034	7.6
131.08597	14.1
133.10143	23.1
135.11678	20.5
137.09628	6.7
139.11172	16.9
145.02849	6.4
145.10167	5.6
147.11703	33.2
149.09599	9.3
149.13246	20.1
151.11197	16.3
157.10159	6.2
159.11649	12.2
161.05893	4.0
161.13271	14.8
163.03893	18.8
163.11191	10.4
165.07111	4.0
165.12788	19.4
173.13206	3.9
175.14854	5.8
176.04724	6.1
177.05498	13.3
177.12741	9.5
178.99904	4.7
179.14331	12.5
181.12193	4.3
185.13216	5.4
189.11127	5.0
191.03358	4.2
195.13858	12.2
196.32413	3.9
197.00769	5.3
209.05969	5.9
213.14845	9.2
216.67723	3.5
241.19579	10.7
244.58972	6.3
249.22093	9.0
253.08452	6.0
253.11127	5.6
259.20633	11.3
265.05002	10.7
271.12222	4.4
277.21622	100.0
295.05966	25.7
295.22699	57.2
313.07043	5.8
313.10687	10.0
313.21753	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1547
Annotation	Phe Phe
Peak:m/z	Relative Intensity
51.74337	0.1
53.03938	0.3
62.15349	0.1
69.07090	0.1
70.06597	0.5
70.12913	0.3
70.13306	0.3
72.08130	0.3
79.05475	0.2
84.08142	0.3
86.09702	0.3
91.05452	0.9
93.07045	2.2
95.04953	0.2
103.05473	5.1
105.07066	0.2
107.04957	0.2
110.07171	0.2
117.03384	0.2
118.06561	0.2
118.35208	0.1
119.07383	0.2
119.79432	0.1
120.08106	100.0
121.02882	0.3
121.06516	1.1
121.08471	0.3
122.06810	0.2
127.00104	0.2
129.10216	0.2
129.19119	0.1
130.06544	0.1
131.04913	0.3
145.02847	0.6
149.05978	0.4
166.08638	5.3
177.05478	1.7
181.07397	1.0
191.10634	0.1
192.06464	0.2
192.08076	0.2
193.07141	0.1
223.06322	0.1
227.07944	0.5
267.08038	0.1
267.14941	0.6
269.08966	8.2
285.08612	0.1
296.12650	0.2
313.07974	5.8
313.11722	0.5
313.15479	3.6
314.13898	0.4
333.33011	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03945	2.8
54.61098	1.5
54.90082	1.5
55.01864	4.4
55.05518	14.2
56.96568	3.1
57.03431	5.6
57.07063	4.9
67.05508	38.3
67.34436	1.4
69.06728	2.4
69.07072	25.3
69.71143	9.7
71.04990	4.2
71.08627	2.8
79.05496	19.2
79.63361	1.5
81.03447	1.7
81.06592	2.4
81.07058	34.5
83.04987	4.1
83.08614	10.8
85.06532	2.2
85.10172	1.5
89.24868	1.6
91.05470	11.7
93.07041	25.4
95.04976	1.9
95.08612	100.0
97.06521	5.5
97.10164	6.6
98.21497	2.8
99.08076	3.3
105.07034	10.9
107.08611	17.5
109.06523	3.1
109.10163	11.0
111.08070	5.2
113.09645	41.8
119.08582	7.8
121.06553	1.9
121.10146	16.4
123.08058	5.1
123.11735	4.1
125.09635	4.4
129.09079	3.8
131.08557	3.9
133.10133	8.6
135.11705	10.6
137.13240	2.0
139.11168	5.5
145.10127	3.2
147.11684	9.9
149.09578	1.6
149.13261	5.1
151.11102	4.0
153.06975	1.9
159.11650	2.1
161.13286	3.9
163.11177	3.0
163.14833	1.7
165.07074	2.4
165.12785	3.9
171.11670	2.7
177.05501	4.4
177.12820	1.9
179.14255	1.6
181.12250	2.3
189.12726	2.0
196.65532	1.8
203.12762	4.3
207.13814	2.0
209.06009	6.0
235.71048	1.7
239.11780	1.8
241.19617	2.2
259.20581	4.9
265.04999	11.6
277.21631	33.5
295.02432	10.5
295.06024	29.1
295.22675	9.6
296.06143	2.0
313.06656	5.2
313.18369	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19678	2.2
53.03938	4.7
55.01868	7.2
55.05511	37.5
56.05030	2.2
57.03437	27.3
57.07079	3.6
60.85943	1.9
67.05512	25.0
68.99775	3.2
69.03432	58.4
69.07078	25.2
69.51990	6.4
69.52422	9.0
70.06590	15.4
71.04984	18.2
71.06931	2.2
72.08143	5.6
79.05493	20.5
81.03416	51.3
81.07056	29.9
82.04212	21.5
83.04984	40.8
83.08627	14.5
84.04501	8.4
84.08152	16.1
85.02908	21.5
85.06512	2.9
86.09707	7.8
87.00842	2.0
91.05476	25.2
93.07044	35.5
95.01315	2.5
95.04984	10.6
95.08610	34.1
97.02898	13.9
97.06510	10.4
99.04461	6.9
99.08079	6.1
103.05468	2.8
105.07021	11.9
107.04958	6.2
107.08595	10.1
109.06528	8.6
109.10144	3.6
110.07169	5.8
111.04440	17.4
111.08088	100.0
113.09660	10.9
115.03922	2.5
116.07061	2.1
117.03409	3.1
117.07016	8.7
119.08574	7.2
120.08119	16.4
121.02897	3.7
121.06519	9.7
121.10181	4.9
123.04431	6.6
123.08085	19.1
125.05968	2.1
125.09627	3.1
127.03867	3.5
127.07545	12.2
129.10246	6.4
130.04114	2.8
130.05000	8.6
130.06514	3.6
131.04918	2.5
131.08549	2.7
133.06506	3.8
133.10120	3.3
134.06018	2.0
135.04379	3.8
135.08060	26.1
137.05971	8.3
138.06615	2.3
139.07541	87.5
141.08049	4.0
141.09109	52.0
145.02843	6.6
145.10147	6.1
146.03217	3.8
147.04353	2.1
147.08037	5.2
149.05994	4.9
149.09566	5.5
151.03914	5.3
151.07550	30.1
161.09657	3.1
162.05508	2.4
163.03963	5.2
163.11137	4.4
165.09146	3.8
167.10574	2.2
177.05542	12.3
178.05798	7.3
179.10709	3.8
191.10696	14.5
207.10207	6.3
209.09760	4.2
209.11743	68.1
225.11107	2.4
236.07893	3.7
252.07852	3.1
261.21106	2.4
269.13745	4.6
278.08981	2.3
295.11783	84.8
296.09778	10.7
298.04727	3.2
306.77277	2.5
313.06189	14.8
313.11963	12.8
313.16180	4.7
313.21362	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.071
Annotation	Ochrolide
Peak:m/z	Relative Intensity
54.75865	0.5
55.01882	0.7
55.05502	1.6
57.03424	0.6
57.07076	1.3
66.57738	0.5
67.01859	0.8
67.05516	2.5
69.07056	1.5
69.65563	1.1
69.65967	2.7
71.08620	0.5
79.05503	1.8
81.07051	2.9
83.08615	1.6
90.69961	0.5
91.05481	1.0
91.38253	0.6
93.07050	1.6
95.08607	2.8
97.10168	0.5
105.07009	0.6
107.01308	0.8
107.08639	1.2
109.10146	1.5
117.74262	0.5
119.08580	0.9
121.10162	1.3
123.11734	0.7
131.08557	0.7
133.10085	1.0
135.11736	0.6
140.06190	0.7
160.01563	6.2
168.05681	3.0
178.02618	6.4
196.05119	1.2
224.04723	7.5
247.25044	0.6
250.02608	1.2
252.04210	41.3
255.02972	1.5
265.05023	0.6
269.04547	1.2
277.21637	1.5
280.03690	42.4
281.04010	0.8
283.02383	1.0
295.02341	1.5
295.06049	1.5
295.22729	1.3
297.03860	1.6
298.04749	11.1
313.07080	100.0
313.17502	4.0
314.07333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01868	0.4
55.05521	0.2
56.05032	0.3
57.03442	0.3
57.07057	0.3
59.04995	0.3
59.91502	0.2
60.04533	0.2
61.02937	0.2
64.35409	0.2
65.03945	2.8
67.05532	0.2
69.03438	1.6
69.07074	0.4
69.85272	0.7
70.06597	2.5
71.01351	0.3
71.06927	0.2
72.08158	1.2
73.02911	0.2
74.06086	0.3
74.09719	0.2
81.03416	0.6
81.07055	0.2
84.04499	0.5
84.08151	2.3
85.02905	1.6
86.03247	0.5
86.09709	1.6
87.04475	0.6
91.03973	0.2
91.05483	0.5
93.03393	0.3
95.04970	0.3
97.02896	2.9
98.97594	0.3
99.04482	0.2
101.06014	0.2
102.05540	0.2
109.02891	0.3
110.07190	1.2
111.04447	2.1
112.11266	0.2
113.02406	0.2
114.96277	0.1
115.08704	0.2
115.31564	0.2
116.07045	0.3
119.04926	0.2
120.08105	0.6
121.02881	100.0
123.04454	0.2
125.02351	0.8
127.03915	0.3
128.04257	0.2
129.05475	0.4
129.10243	0.6
133.92197	0.2
136.07599	0.4
137.05986	0.7
139.03914	0.3
145.04971	0.5
146.05275	0.3
150.05478	0.2
151.03926	0.4
163.03983	0.3
163.06070	0.2
167.07076	0.2
175.06058	3.4
175.07506	0.2
177.05539	0.3
180.10228	0.2
181.06453	0.2
208.99106	0.3
227.00069	0.4
227.95988	0.2
243.13499	0.5
285.20447	0.2
295.07877	0.2
313.08582	0.4
313.12054	0.3
313.17725	0.6
320.87253	0.2
339.01602	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0707
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
55.01899	0.3
55.05520	0.4
67.01872	0.5
70.00489	0.7
78.65317	0.3
98.21419	0.4
105.03405	2.0
136.55814	0.2
152.06261	0.5
153.05766	0.5
153.06990	7.6
160.01582	0.4
165.06999	4.4
181.04982	0.4
181.06474	4.0
193.06456	0.7
205.96977	0.3
209.05975	16.3
221.06007	0.4
224.04660	0.5
237.05447	6.9
252.04193	2.9
253.04990	0.3
265.04956	34.8
266.05261	0.3
279.03125	0.4
280.03690	3.6
295.06006	100.0
296.06314	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42961	0.2
67.01860	0.7
67.05500	0.3
67.22502	0.2
68.99790	0.8
69.07092	0.2
69.65676	1.0
92.99755	0.4
93.01201	0.2
95.08626	0.3
105.03407	0.2
107.08608	0.2
115.05477	0.5
116.99751	1.3
117.03335	0.2
121.23602	0.2
123.08068	0.2
127.05453	0.6
131.62059	0.2
133.71869	0.2
137.85750	0.2
145.02844	0.5
147.04404	0.5
155.04926	2.0
171.04404	3.1
183.04413	1.3
185.05856	0.2
197.02541	0.2
199.02113	0.3
199.03911	3.2
211.03900	4.2
227.03406	2.5
239.03403	2.0
251.03462	0.3
256.32352	0.2
267.03073	1.4
268.02582	0.2
295.02377	100.0
296.02777	0.8
312.99933	0.4
313.03439	6.0
313.06778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0707
Annotation	CCRIS 3230
Peak:m/z	Relative Intensity
50.27676	0.2
53.03930	0.3
55.01630	0.3
55.01874	3.4
55.05497	0.7
58.06517	0.2
59.04981	0.2
65.03941	0.2
67.05484	0.8
68.99790	1.9
69.03448	0.5
69.07057	0.7
69.59942	1.2
75.25285	0.2
78.04723	0.3
79.01846	0.8
79.05474	1.1
81.03418	1.1
81.07058	1.1
83.08604	0.4
91.05482	0.6
92.99765	0.6
93.07039	0.6
95.08606	1.0
97.02882	0.6
99.00816	0.6
100.63671	0.2
105.03399	0.2
105.07015	0.2
107.08601	0.7
109.02844	0.4
109.10185	0.5
115.00692	0.2
116.02611	0.4
117.03463	0.2
119.08592	0.4
121.02869	0.4
121.06528	1.2
121.10155	0.6
123.00781	1.8
123.08089	0.5
131.04913	0.2
133.10149	0.3
134.03632	3.2
135.11705	0.5
137.02342	2.2
141.01839	6.5
143.08392	0.2
149.05991	0.9
151.03931	0.3
165.01840	34.5
168.05736	0.2
177.05495	0.5
180.00528	0.7
183.02896	11.7
185.06012	0.4
186.06805	0.4
196.05156	0.4
197.05977	0.6
198.01703	0.2
199.03923	0.6
213.05394	1.4
214.06281	0.9
224.04744	0.5
225.05518	0.3
227.03560	0.3
229.04953	0.3
239.07036	0.3
241.04897	2.9
242.05766	1.9
252.04182	3.5
253.04918	0.4
257.04517	0.3
259.20538	0.5
267.06522	0.8
269.04456	3.8
270.05252	2.3
277.21573	1.0
280.03674	11.1
281.04395	1.3
285.03958	0.8
295.06015	38.9
295.22672	0.7
297.03955	4.0
298.04721	18.5
313.07056	100.0
314.07364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2171
Annotation	YM 47515
Peak:m/z	Relative Intensity
53.03945	1.0
55.01880	0.9
55.05517	7.7
57.07067	1.9
64.30132	0.8
67.05529	6.1
69.07062	4.5
69.63071	3.5
72.08163	100.0
72.71163	0.7
72.74959	0.7
72.93798	0.8
79.05502	22.5
81.07063	15.1
83.05000	1.0
90.57139	0.7
91.05483	6.8
93.07054	37.9
95.05006	1.7
95.08627	7.2
97.06537	2.3
105.07049	3.2
107.05048	1.2
107.08608	20.5
109.06553	1.0
114.09165	3.2
117.03400	1.0
117.07047	2.9
118.08666	73.5
119.08624	2.6
121.06525	1.1
121.10145	4.2
123.08158	1.0
125.05970	0.8
131.08588	2.1
133.10126	5.6
135.08101	3.7
135.11705	23.9
145.02892	2.8
149.05969	0.7
149.13284	24.1
151.11195	1.4
151.14842	1.4
153.12799	2.4
159.11769	2.7
177.05472	4.9
177.12759	18.0
177.14220	1.0
178.12321	1.1
194.15456	1.0
195.13832	1.4
224.12852	1.2
226.14508	0.8
240.16000	8.6
248.20128	16.6
253.27017	0.8
266.21332	2.3
276.19742	1.7
294.20663	60.1
312.21741	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	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01858	2.6
55.05510	1.0
57.03438	6.0
60.04509	1.0
61.02934	11.0
62.67441	0.8
65.03944	0.9
67.05498	1.7
69.03095	1.4
69.03436	20.2
69.06736	1.3
69.07075	14.8
69.75431	3.7
70.06596	11.1
71.04997	1.8
72.08155	5.2
73.02934	4.7
81.03432	7.5
84.04491	2.6
84.08139	9.4
85.02911	100.0
86.09716	6.8
87.04457	3.6
87.08109	12.5
91.03965	6.1
91.05487	1.8
97.02901	26.4
98.97602	1.9
99.04472	4.3
103.05463	0.8
105.09137	2.2
109.02877	8.2
110.06028	2.9
110.07166	5.1
111.04378	1.4
112.08761	0.9
112.11200	0.9
115.03937	1.5
115.07567	1.2
116.07117	1.3
117.03356	1.2
119.04926	1.1
120.08102	6.7
121.02876	18.8
121.08392	1.0
127.03927	24.6
129.05501	1.0
129.10262	4.6
131.04938	1.4
132.56133	0.9
133.05013	1.1
133.08606	3.8
136.07581	3.1
137.05969	1.8
138.05496	5.4
140.07040	1.0
145.02942	4.7
145.04970	45.9
149.05992	1.2
150.05472	1.1
156.07755	1.5
161.05972	1.0
162.05501	2.5
163.03856	1.4
163.06020	10.8
166.04961	1.1
167.07082	1.1
177.05501	5.6
180.08675	1.2
185.16420	1.0
204.10188	6.1
250.10893	8.0
294.13077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1229
Annotation	Acronidine
Peak:m/z	Relative Intensity
51.88834	0.4
53.03943	2.6
55.01878	0.6
69.55882	0.9
69.56312	1.5
70.06596	2.7
72.08144	1.5
77.03932	0.7
79.05509	0.4
84.04488	0.6
84.08150	1.7
86.09698	1.7
89.03909	0.5
91.05479	10.8
93.07043	17.0
95.04975	3.3
95.10254	0.4
98.97588	0.7
103.05469	10.9
105.04514	1.0
110.06055	0.8
110.07150	0.7
117.03343	1.1
119.04914	0.4
120.08089	0.7
121.06504	67.5
122.06805	0.4
129.10240	0.7
130.05061	0.5
135.04362	0.5
137.06017	1.3
138.05470	0.4
145.02847	2.2
147.04315	0.5
149.05949	0.7
173.01227	0.5
175.06042	0.9
177.04181	15.9
177.05518	2.8
192.06552	69.2
193.06902	0.5
207.76538	0.4
213.15784	0.4
223.04256	0.6
266.08179	0.9
271.36761	0.4
280.10394	0.5
297.10187	0.5
312.12296	100.0
313.12558	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1231
Annotation	Botryllamide F
Peak:m/z	Relative Intensity
63.02398	0.2
70.06591	0.8
71.12086	0.6
72.11649	0.2
77.16488	0.2
87.81249	0.3
89.03917	4.6
91.05509	0.8
101.09801	0.2
105.03334	0.3
106.04177	0.5
107.04929	0.3
117.03378	20.9
117.07045	0.3
119.04897	0.3
121.02953	0.6
134.03667	1.6
135.04428	0.6
137.06012	0.6
145.02846	56.0
145.06477	2.4
146.03194	0.4
147.04575	0.2
149.05991	7.0
162.03166	0.3
162.05498	1.0
163.03897	0.5
170.05911	0.3
175.07568	0.4
177.05470	100.0
178.05779	0.9
183.22438	0.2
186.05524	0.6
188.07138	0.6
195.80930	0.3
312.12296	7.1
313.67697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1307
Annotation	N,N-Dimethylguanosine
Peak:m/z	Relative Intensity
50.15256	0.2
55.01860	0.3
56.05045	0.4
56.20205	0.2
56.96562	0.4
57.03437	0.5
60.04515	0.4
60.55368	0.2
69.03416	0.5
69.07058	0.9
69.82247	1.2
70.06598	9.7
71.06110	0.3
72.08160	1.8
73.02925	0.2
82.06591	0.2
83.06104	0.3
84.04484	0.8
84.08147	1.6
85.02899	1.0
86.09715	1.2
89.33816	0.2
91.05483	0.6
95.62679	0.2
97.02885	0.4
97.06562	0.3
98.06087	0.3
98.97570	0.5
99.04518	0.3
107.04922	0.2
110.03531	4.1
110.07178	2.3
115.03910	0.3
115.07586	1.9
116.07104	1.4
117.03373	0.3
120.08106	1.4
121.02892	0.4
121.06502	0.2
123.04447	0.2
128.04526	0.3
129.10281	1.1
131.04927	0.3
132.04408	0.2
133.08502	0.3
135.03038	0.8
136.07597	0.8
137.05980	0.5
137.08238	1.3
141.61490	0.3
145.02846	0.2
149.05969	0.3
150.05511	0.8
153.04074	1.3
156.07646	0.3
162.05495	2.1
162.07755	0.8
169.13408	1.6
175.06204	0.4
177.05470	0.9
180.08812	100.0
197.12836	2.0
202.27168	0.3
204.10237	3.2
213.12346	1.5
215.13943	0.4
250.10742	4.2
294.10010	0.2
294.13263	1.5
312.15594	0.4
312.19016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	37.3
55.05514	25.1
57.03428	5.2
57.07084	10.3
63.20759	1.7
65.03905	1.5
67.05183	3.1
67.05511	41.8
69.07075	53.5
71.05000	4.4
71.08637	37.9
71.22849	4.3
79.05495	20.7
81.07064	43.9
82.05907	1.7
83.04981	11.9
83.08624	30.6
91.05466	9.4
91.44669	1.7
93.07047	37.4
95.08613	41.7
97.06543	12.2
97.10185	8.7
99.08098	30.6
105.07021	5.7
107.08598	24.1
109.10159	22.3
111.08089	6.3
111.11713	2.1
113.09650	2.8
117.07034	2.9
119.08537	5.6
121.10146	23.7
123.11736	8.8
123.12518	1.8
125.09653	3.8
131.08589	6.6
133.10138	6.9
135.04428	8.0
135.08070	2.5
135.11691	18.9
136.36954	1.7
137.09627	3.3
137.13258	7.6
145.10117	6.7
146.06348	1.9
147.11711	13.7
149.09633	5.1
149.13266	7.1
151.14807	6.1
153.05344	2.0
153.09140	2.4
153.12764	37.7
159.11700	3.2
161.09630	8.7
161.13272	4.4
163.11227	4.0
163.14859	8.5
165.12738	6.6
167.10664	4.9
167.14214	2.3
173.13268	3.3
174.26808	2.0
177.12775	4.9
177.16454	2.8
179.14328	2.0
181.12263	5.7
181.15849	6.7
187.14897	2.2
195.13751	2.6
203.12888	2.6
209.11763	6.3
219.21074	3.1
233.22687	11.4
236.38951	1.7
237.11272	6.2
243.21133	15.0
251.23766	8.2
255.12300	2.3
261.22162	25.1
271.40402	2.1
279.23215	100.0
304.19183	2.1
311.16449	7.0
311.22226	2.8
311.25769	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	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03938	0.8
55.01868	2.0
55.05515	40.3
57.03442	16.8
57.07080	19.8
57.11388	0.5
57.51558	0.4
67.05511	6.8
69.07072	46.6
70.04857	0.4
70.96889	0.8
71.08638	11.2
79.05494	3.6
81.07063	7.8
83.04977	0.9
83.08626	39.2
85.10184	3.4
88.16589	0.4
90.55325	0.4
91.05469	0.7
93.07059	5.6
95.08614	6.0
97.06550	3.7
97.10177	26.0
105.07012	0.6
107.08616	4.3
109.10175	3.1
111.08087	1.7
111.11733	7.9
121.10161	5.4
123.11706	1.8
125.09624	1.4
125.13269	1.5
135.11700	3.7
137.13243	0.9
139.11211	0.8
149.13245	2.0
153.12756	0.7
163.14851	0.9
163.98338	0.5
167.14439	0.6
172.67244	0.5
209.11769	1.2
219.21124	1.4
237.11154	0.9
237.22206	0.8
248.92656	0.5
293.21082	0.4
311.25815	100.0
312.26059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01854	1.6
55.05514	37.3
57.03162	0.8
57.03439	16.5
57.07079	20.5
67.05508	7.0
69.03391	0.8
69.07072	45.9
69.42214	3.6
71.08634	11.0
73.02922	0.5
79.05491	4.3
81.06586	0.8
81.07056	9.4
83.04987	0.9
83.08622	37.8
85.06525	1.1
85.10178	3.6
93.07039	5.5
95.08608	6.4
97.06543	3.7
97.10172	28.2
101.06044	0.6
103.65202	0.5
107.08601	3.8
109.10181	2.4
111.04422	0.8
111.08073	2.0
111.11721	6.7
112.39207	0.6
121.10143	5.6
123.11671	1.2
125.09622	1.7
125.13274	2.5
135.04349	0.6
135.11699	4.1
137.13313	0.6
139.11147	1.0
149.13292	1.6
153.12782	1.0
163.14803	0.9
185.34871	0.5
209.11758	2.1
219.21082	1.6
237.11215	1.9
237.22168	0.9
255.12260	0.7
311.25812	100.0
312.26340	1.1
314.31873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03934	6.2
55.01873	66.4
55.05515	63.5
56.96563	10.1
57.03434	23.1
57.07077	30.3
59.05003	2.4
60.52321	2.3
63.13089	2.5
65.03941	5.2
67.05509	65.2
69.03431	5.1
69.07072	65.4
70.98141	4.2
71.05018	2.8
71.08632	11.9
71.38319	4.5
71.38652	2.9
74.54836	2.4
79.05498	31.5
81.03422	10.7
81.07062	64.7
83.04986	14.4
83.08623	35.3
85.06544	5.4
85.18130	2.4
91.05473	26.5
91.14977	2.7
93.07048	46.4
95.05002	16.3
95.08614	56.4
97.06528	10.6
97.10172	26.2
98.20829	3.0
99.08100	6.6
105.07039	16.6
107.04937	15.0
107.08601	24.9
109.06518	6.1
109.10178	23.5
111.04475	14.0
111.08075	8.1
111.11717	3.5
117.07024	6.9
119.08582	20.8
121.06519	10.7
121.10156	26.1
123.08080	7.3
123.11705	8.5
125.05998	8.4
125.09637	78.5
125.10576	5.1
131.08563	8.8
133.06575	3.5
133.10104	12.5
135.04425	91.7
135.08069	9.5
135.11670	15.9
137.09610	20.5
137.13252	6.3
139.11272	3.6
141.09113	2.9
143.08510	3.7
145.10144	8.5
147.11765	3.2
149.09641	6.9
149.13269	10.5
151.11179	15.4
153.05403	6.1
159.11714	6.0
161.09613	32.4
163.11198	8.1
163.14702	3.7
165.12675	3.6
167.10675	3.8
169.12262	3.5
173.13248	4.9
177.12732	15.2
181.05003	4.0
181.12228	8.4
187.11188	4.9
191.10641	5.4
191.14336	7.4
193.12294	3.4
195.13882	5.4
209.11708	46.0
219.20975	2.7
223.13277	3.0
229.19557	4.7
237.11191	36.3
237.22160	4.4
247.20535	12.2
247.65506	4.0
255.12434	5.4
257.19113	9.6
269.64917	3.7
275.20035	33.5
278.65601	4.0
290.16327	5.0
293.17825	5.3
293.21106	40.4
311.15930	3.7
311.25858	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	3.6
55.01869	4.3
55.05512	18.3
57.03437	3.5
57.07076	2.7
65.03968	1.7
67.05507	44.5
69.03435	2.9
69.07069	18.9
69.68960	7.9
70.06599	1.7
71.04984	3.4
72.08141	1.3
73.28612	1.3
78.23033	1.4
79.05505	26.9
81.03427	2.6
81.07060	50.2
83.04970	4.5
83.08625	9.6
85.06523	3.7
91.05486	32.3
93.07047	27.9
95.04945	7.7
95.08611	30.1
97.06533	7.1
97.10175	7.5
99.08105	3.1
105.07034	34.4
107.04925	4.2
107.08601	29.6
109.06521	6.5
109.10168	20.7
111.08079	4.1
117.07030	10.6
119.08582	29.5
121.06515	4.2
121.10163	14.9
123.08064	6.6
123.11710	5.1
125.09649	8.7
129.07031	2.7
129.86163	1.6
131.08583	12.7
133.10141	32.7
135.08055	5.7
135.11684	5.7
137.05962	3.1
137.09590	3.4
139.11093	1.7
143.08592	2.1
145.10146	16.3
147.11682	13.9
149.09641	12.9
149.13258	4.6
151.11220	5.3
155.08688	1.8
157.10156	5.3
159.11684	9.4
161.09735	1.8
161.13249	3.6
163.11200	6.6
165.12778	1.6
169.10123	1.8
171.11708	2.9
173.11758	4.7
173.13310	5.0
175.11176	2.7
175.14825	1.5
177.05400	2.1
177.12878	3.1
183.11627	2.5
189.11227	4.1
195.13837	4.9
197.13307	2.7
201.16376	1.8
204.50821	1.6
207.82494	1.5
213.16454	3.0
229.19545	4.0
235.16963	4.2
239.17981	7.4
247.20584	4.7
249.18495	2.2
251.20218	1.4
257.19012	11.2
275.20068	100.0
293.21149	19.7
311.05371	3.6
311.09100	1.5
311.14862	1.6
311.22119	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03947	5.2
55.01878	80.7
55.05515	46.8
57.03431	9.2
57.07078	21.3
60.18092	2.1
61.82030	2.0
65.60416	2.3
67.05510	54.1
69.03432	4.8
69.07077	23.7
69.22555	21.8
71.04982	4.6
71.08624	8.2
71.54828	2.1
78.08321	2.0
79.05499	25.8
81.03401	10.6
81.07063	48.3
83.04974	10.6
83.08612	13.3
85.06544	4.9
91.05495	23.2
93.07053	31.7
95.04982	18.4
95.08620	41.3
97.06533	6.7
97.10170	17.0
99.08109	7.0
105.07037	12.2
107.04967	18.6
107.08090	2.0
107.08611	19.6
109.06503	7.8
109.10174	21.1
111.04458	11.0
111.08072	4.4
111.11800	2.7
117.07013	10.8
119.08593	18.6
121.06529	5.6
121.10136	15.0
121.22896	2.5
123.08051	6.3
125.05984	3.4
125.09641	100.0
129.06972	3.1
131.08559	13.2
133.10104	8.0
135.08057	10.8
135.11688	7.9
137.09621	19.2
139.11151	3.5
141.09111	3.3
143.08582	2.6
145.06487	3.1
145.10129	5.7
147.08018	3.2
147.11745	2.5
149.09598	5.9
149.13278	3.7
151.11215	22.2
153.05486	3.4
153.12750	2.2
159.11705	10.7
161.09549	3.2
161.13261	4.0
163.11147	6.7
167.10663	3.3
169.10121	3.4
173.09651	3.4
173.13211	4.4
177.12773	18.7
181.12244	10.9
183.11864	3.1
187.11192	3.2
191.10695	4.0
191.14287	8.9
195.13802	8.9
201.16446	2.4
209.11719	23.6
219.17415	2.8
229.19557	6.2
237.11224	19.1
239.18036	3.0
247.20651	9.4
255.12317	7.0
257.19083	14.9
265.21402	2.9
275.20081	28.6
293.21115	40.8
311.17603	10.5
311.22357	4.9
311.25797	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	311.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01875	3.1
55.05277	0.8
55.05515	11.0
56.96555	1.5
57.07089	2.9
67.05515	6.6
69.03421	1.4
69.07068	4.8
71.04984	0.6
71.08633	8.6
79.05494	6.6
81.03409	1.2
81.07057	6.8
82.80750	0.5
83.04974	1.5
83.08629	5.3
85.06535	0.5
91.05485	1.8
93.07052	4.1
95.04961	2.4
95.08613	4.0
97.06522	0.8
97.10175	8.9
98.20656	0.9
99.08095	5.1
105.07012	1.9
107.04935	2.9
107.08620	3.6
108.05729	0.8
109.06512	1.3
109.10138	1.6
111.04447	1.4
111.08131	0.6
114.37087	0.6
119.08570	1.0
121.06493	4.2
121.10124	1.5
123.08061	0.9
125.09640	6.2
131.08575	1.6
133.10094	0.9
135.08046	1.5
135.11691	0.8
137.09570	0.8
145.10182	1.3
149.13272	0.8
151.11214	0.9
153.05492	0.8
159.11736	0.8
163.11185	0.8
164.12068	0.6
165.12772	1.1
167.10648	0.7
177.12758	1.5
181.05040	0.7
181.12239	0.8
189.11249	1.8
191.10709	1.0
191.14235	0.6
193.12364	0.6
195.13762	0.6
209.11708	5.9
211.13255	0.8
237.11229	5.7
237.14815	0.7
247.20662	0.6
255.12253	1.4
257.19101	0.8
260.15601	0.6
265.14569	1.5
274.15186	1.1
275.20062	6.0
285.65958	0.6
288.14923	1.0
293.21112	100.0
294.21524	0.8
299.65652	2.1
311.16058	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03944	0.7
55.01872	1.1
55.05515	12.7
57.03451	3.4
57.07082	4.8
59.88544	0.5
65.03905	0.4
67.05508	13.4
69.03438	0.8
69.07077	8.5
69.38974	3.9
71.04958	1.5
71.08633	10.3
74.07327	0.5
76.53950	0.5
79.05502	7.2
81.03413	0.8
81.07064	12.3
83.04976	2.8
83.08154	0.7
83.08620	7.7
85.06534	0.7
89.42023	0.5
91.05480	4.4
93.07037	6.6
95.04977	2.9
95.08615	11.5
97.05971	0.5
97.06522	2.5
97.10178	7.9
98.20734	0.9
99.08095	4.6
103.38022	0.5
105.07050	3.2
107.04934	2.2
107.08600	5.8
108.05728	0.8
109.06514	1.6
109.10153	4.1
111.04437	1.3
111.08056	1.5
111.11719	0.7
113.09679	0.4
117.07016	0.8
118.66260	0.5
119.08604	2.4
121.06526	3.5
121.10157	4.1
123.11683	1.5
125.05982	0.8
125.09637	4.1
127.11177	0.7
131.08537	2.2
133.10130	2.0
135.04349	0.8
135.08080	1.2
135.11700	3.3
135.79475	0.5
137.09628	1.6
137.13217	0.5
139.11200	1.4
145.10139	1.3
147.11603	0.6
148.96716	0.5
149.09622	0.9
149.13226	1.0
151.11209	2.7
153.05473	0.9
153.09053	0.6
154.55960	0.6
155.10721	0.7
157.10120	0.8
159.11729	0.9
161.09602	0.6
163.11156	1.1
163.14699	0.6
164.87895	0.5
165.12741	2.8
167.10672	0.9
171.68962	0.5
177.12737	1.7
181.12157	0.7
189.11221	2.9
207.14001	0.5
209.11723	7.4
219.21094	0.8
219.40022	0.5
228.39896	0.5
229.19481	0.7
237.11211	8.0
237.22141	1.6
247.20360	0.7
255.12262	2.5
265.17621	0.5
265.21521	0.5
275.20050	5.3
288.14874	0.6
290.67725	1.3
291.17862	0.7
293.21112	100.0
294.21371	0.9
311.18784	1.0
311.25806	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	311.2217
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.19452	0.4
53.03939	0.9
55.01867	1.3
55.05510	5.8
57.03425	0.9
57.07075	2.6
57.11442	0.3
67.05509	7.6
69.03432	0.4
69.07076	2.6
69.83739	0.7
69.84145	1.1
71.08636	10.6
74.27695	0.3
79.05495	5.5
81.03397	0.5
81.07062	7.8
83.04970	1.6
83.08622	3.6
83.71166	0.4
83.74529	0.3
85.06521	0.8
91.05473	4.5
93.07052	4.1
93.21111	0.3
95.04958	3.0
95.08611	4.2
96.79822	0.3
97.06509	0.6
97.10170	4.4
99.08093	4.5
105.07021	4.4
107.04956	1.9
107.08586	3.8
108.05747	0.8
109.06515	1.4
109.10136	2.2
111.04435	1.0
111.08052	0.5
117.07032	1.1
119.08588	1.1
121.06509	3.6
121.10191	1.8
122.23240	0.4
123.11685	0.6
125.09634	2.8
131.08546	1.7
133.10127	1.7
135.08009	1.0
135.11697	0.7
143.08557	0.5
145.10135	1.5
147.11678	0.8
149.05974	8.3
149.13277	0.4
151.11206	1.0
153.05443	1.0
159.11671	0.9
161.09583	0.4
163.11145	0.6
164.11960	0.6
165.12779	3.6
177.12766	1.7
181.12189	0.6
183.11690	0.4
189.11252	2.0
191.10689	0.6
195.13904	0.5
209.11723	5.2
237.11249	4.3
237.14813	0.5
247.20618	0.5
255.12286	0.9
265.21603	0.7
275.20111	5.2
293.21106	100.0
294.21375	0.9
311.25739	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.3
55.05513	0.7
55.96955	0.2
56.70255	0.3
56.96566	0.7
67.05508	1.0
69.03441	0.5
69.07054	0.5
70.06602	2.1
70.64133	0.6
71.05009	0.4
72.08163	1.9
77.03934	0.3
79.05507	0.9
81.07058	1.8
82.88860	0.2
83.04990	0.3
84.04523	0.5
84.08147	1.6
85.02942	0.5
85.06541	0.5
86.09702	1.4
91.05486	5.5
93.07037	1.2
95.04991	0.3
95.08600	1.0
95.90414	0.3
97.02907	0.3
98.97596	1.9
103.05489	0.6
105.07026	0.9
107.04958	0.7
107.08591	0.8
109.06503	0.6
109.10159	0.5
110.07175	0.6
111.04460	0.8
116.98622	0.7
117.26852	0.3
118.16022	0.3
119.04950	3.8
119.08585	0.6
120.08112	1.0
121.06493	0.4
121.10136	0.6
123.08126	0.3
129.06934	0.3
129.10262	0.6
130.06534	100.0
131.04961	0.6
131.06863	0.6
131.08517	0.4
133.10164	0.4
134.99707	0.3
135.11694	0.4
137.05986	37.8
145.06448	0.3
145.10062	0.3
149.06015	0.3
158.06021	55.2
158.99670	1.0
159.08002	0.4
161.05974	0.3
161.94115	0.3
177.00772	0.4
177.05478	0.6
187.07587	0.6
190.07800	0.3
191.08511	0.5
194.02736	1.0
195.08031	0.3
218.07373	0.3
219.08049	1.1
220.10605	0.4
220.60570	2.7
221.10637	0.5
233.09584	0.3
235.07579	0.3
247.07649	0.3
248.08501	0.4
251.06889	0.4
251.10638	1.2
261.09186	0.4
266.11636	0.3
268.06894	0.3
279.10056	1.2
283.09802	0.3
293.17593	0.4
294.11255	6.3
311.06067	0.4
311.09210	0.7
311.13666	4.5
328.74872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2219
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.72502	1.1
53.03952	1.4
55.01871	8.7
55.05506	13.8
56.96553	1.9
57.03435	1.5
57.07077	33.5
65.03934	1.3
67.05508	22.1
68.99800	1.8
69.03421	3.2
69.07092	6.1
70.01326	5.2
70.06581	2.3
70.59891	1.0
71.01363	1.7
71.04982	4.2
71.08646	9.6
71.19026	1.1
71.19410	1.3
71.91338	1.2
79.05508	8.7
81.03402	4.4
81.06640	1.6
81.07059	13.5
83.04989	14.5
83.08610	5.9
85.02901	7.7
85.06588	1.1
88.07605	2.4
91.05492	12.1
93.07040	14.6
95.04983	16.5
95.08611	34.9
97.06528	3.9
97.10183	1.3
97.85582	1.3
98.21493	2.3
99.04428	4.3
99.08080	4.9
105.07020	6.1
107.04953	5.1
107.08623	8.4
109.02872	4.3
109.06508	4.2
109.10162	12.4
111.03725	1.8
111.04452	28.3
111.08069	4.7
113.06011	1.4
115.55416	1.3
117.06999	3.7
119.08582	10.2
121.06467	1.8
121.10178	6.8
123.08061	7.6
124.58485	1.2
125.06002	6.1
125.09598	2.7
131.08563	3.5
133.10150	9.2
135.04416	5.2
135.11711	3.9
137.09634	7.9
140.06090	1.3
141.09082	1.9
145.10110	5.2
147.11662	2.5
149.02312	5.4
149.09628	4.9
149.13260	1.9
151.11189	8.5
153.05467	16.1
155.10681	26.3
159.11710	2.7
163.04001	1.6
163.11238	8.9
165.12750	2.6
172.50912	1.2
177.12674	1.6
181.04947	3.3
181.12192	8.6
189.11101	2.4
191.10660	12.1
193.04980	14.5
194.05254	1.5
196.62538	2.9
205.12206	1.7
209.11743	100.0
223.13245	12.0
224.65663	3.4
229.19542	2.8
233.19286	1.2
237.11235	86.8
247.20580	1.6
251.20082	1.8
255.09888	0.8
255.12286	23.9
257.19104	1.8
275.20120	13.1
293.17471	10.8
293.21094	57.6
311.05420	3.1
311.18515	5.5
311.21750	1.3
311.24591	23.3
311.74677	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	311.1278
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03954	1.2
55.01870	1.3
55.05507	1.2
56.96569	2.5
59.04990	0.7
65.03961	1.0
67.05506	2.1
69.03428	1.1
69.07063	1.2
70.06602	5.1
71.04992	1.6
71.51477	0.8
71.51877	0.7
72.08160	4.1
79.05507	4.3
81.07059	4.7
81.32202	0.7
83.04995	1.1
84.04488	0.7
84.08152	3.6
85.02907	0.8
85.06537	1.0
86.09709	4.0
87.10029	0.6
91.05488	9.0
92.05869	0.9
93.07046	2.0
94.04169	3.8
95.04984	0.9
95.08650	1.4
95.16246	0.6
97.06564	1.0
98.97575	1.0
103.05473	3.5
105.03409	0.8
105.04536	0.6
105.07037	9.6
106.07363	1.2
107.04975	2.8
107.08625	1.7
109.06524	5.1
109.10152	1.3
110.07173	1.5
115.05499	3.3
117.03359	1.2
117.07029	1.5
118.08643	1.6
119.04932	1.2
119.08530	1.2
120.08110	4.6
120.08888	1.0
121.06510	2.9
121.10141	0.7
122.03658	9.1
128.06230	1.3
129.07005	4.8
129.10223	1.7
130.06534	34.5
131.04942	3.1
131.08572	2.4
133.06487	7.8
133.10135	1.1
134.10533	0.9
135.04462	0.8
136.07590	0.8
137.05984	100.0
138.76256	0.6
141.06981	0.7
143.05981	0.8
144.05714	2.4
145.02829	1.3
145.06476	1.7
145.10130	1.1
146.03644	1.1
147.08012	1.1
147.11737	0.8
148.12207	0.7
149.06009	7.0
151.07503	1.2
155.04930	6.2
157.10071	0.8
158.06024	52.3
159.08058	10.0
161.05995	14.3
163.03995	1.0
163.07568	1.0
165.05789	0.8
165.06975	3.7
167.07155	1.7
167.08568	0.7
169.06648	0.9
171.04393	1.1
172.05228	2.7
175.07568	3.2
175.11206	0.7
176.11488	1.2
177.05467	1.6
177.06897	0.8
179.08580	1.9
180.09328	1.7
187.03845	1.0
187.07570	27.5
189.07062	5.3
189.09126	2.0
190.07788	23.5
191.08568	50.4
193.06494	1.2
193.12193	0.6
194.07231	0.9
194.12630	1.0
195.08003	0.9
201.07019	1.1
202.07870	1.4
203.08591	1.5
205.06503	4.7
205.10172	0.8
207.08067	5.9
208.08878	6.1
209.09641	0.8
217.06590	1.3
218.07285	13.7
219.08066	61.9
220.08833	6.7
221.05968	2.8
221.09659	1.1
222.06783	1.1
225.06717	1.3
225.09033	1.7
229.07628	2.3
233.06003	1.0
233.09770	2.2
234.06628	0.7
235.07536	8.1
236.08354	12.8
237.02753	0.7
237.09099	3.0
246.06772	1.9
247.07559	26.2
248.08420	3.1
249.09183	1.0
251.10683	89.4
252.11023	1.1
253.06206	1.3
253.08595	6.0
261.09140	4.9
263.07062	2.1
264.07751	7.5
265.08618	3.7
267.10175	1.6
268.10986	1.9
270.11765	1.2
278.06680	1.8
278.09445	1.4
279.10172	73.3
280.10910	5.3
281.08020	9.3
283.09845	1.2
283.13297	2.0
288.12997	2.0
293.08417	1.5
294.11331	3.7
296.10419	8.7
309.11255	0.9
311.09549	4.9
311.12796	74.2
312.08688	0.9
312.12790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1276
Annotation	Porphyrin
Peak:m/z	Relative Intensity
55.01876	0.7
65.03941	0.7
66.04740	0.7
67.05492	1.0
69.35465	1.6
69.35889	2.4
70.06601	0.6
75.93729	0.6
79.05490	3.4
80.76148	0.5
81.07080	2.5
81.07486	0.5
83.30088	0.5
91.05482	4.0
92.88132	0.5
93.07020	0.8
94.04199	3.6
95.04965	0.6
103.05464	2.2
103.43198	0.5
105.07021	7.8
107.04952	2.6
109.06527	4.9
115.05427	2.6
116.06263	0.6
117.07044	0.7
119.08649	0.5
121.06505	2.1
122.03645	9.6
123.04500	0.7
123.97495	0.5
128.06213	1.9
129.07022	4.6
129.10286	0.6
130.06551	0.8
131.04924	2.4
131.08554	1.4
132.05688	0.6
133.02805	0.5
133.06490	5.9
133.10147	0.7
135.04395	0.7
137.05977	100.0
138.06305	0.7
141.06956	0.5
144.05687	2.7
145.06476	1.0
149.06015	5.5
151.07536	1.4
155.04909	7.3
155.06062	1.1
156.05684	1.6
158.05943	0.6
159.08058	9.7
161.05978	13.8
161.07277	0.9
163.03937	0.7
163.07494	0.8
165.06967	3.6
167.06995	1.0
171.04442	1.1
172.05190	3.0
175.07532	3.3
177.05502	0.9
178.07780	1.0
179.08557	1.7
180.09325	1.7
181.06476	0.6
186.06778	0.6
187.07545	32.6
189.06999	5.2
189.08913	1.0
190.07768	24.5
191.08556	52.1
192.09094	0.6
193.06430	0.8
194.07309	0.8
195.08087	0.9
197.09526	0.5
201.07016	1.6
202.07744	2.1
203.08565	2.2
205.06476	2.7
205.10063	0.8
207.08063	4.4
208.08829	6.8
217.06435	1.3
218.07277	16.7
219.08046	66.3
220.08804	7.0
221.05920	2.4
221.09500	0.8
221.26224	0.5
223.11176	0.7
225.09076	1.2
229.07565	1.9
231.08014	0.6
233.09505	2.6
234.06726	0.7
235.07571	7.5
236.08324	14.3
237.08998	2.3
246.06793	2.0
247.07544	27.4
248.08296	2.8
249.05501	1.8
249.09091	0.9
250.09772	1.1
251.10666	88.8
252.10828	0.9
253.08611	7.2
261.09106	3.1
263.07047	2.1
264.07819	8.7
265.08560	3.7
267.10284	1.2
268.10892	1.8
278.09293	0.9
279.10156	81.5
280.10825	6.2
281.08057	11.6
283.09924	1.0
283.13324	1.9
295.09506	1.1
296.10446	10.6
311.12769	84.5
312.12933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphyrin
Peak:m/z	Relative Intensity
50.36306	0.8
53.03952	1.1
55.01862	1.4
67.05502	1.0
69.03416	1.4
69.66814	4.4
70.06579	2.1
72.08141	1.8
78.24517	0.7
79.05479	2.8
81.07037	3.6
84.08128	2.8
85.02886	1.3
86.09717	1.6
89.03912	1.2
91.05492	6.0
93.07015	1.0
94.04176	3.5
98.97565	1.9
103.05458	2.2
105.07033	7.5
107.04932	2.5
109.06537	4.1
115.05456	2.0
116.06228	1.1
117.03342	1.2
119.04964	0.9
119.08540	0.9
120.08125	2.0
121.06510	2.2
121.10114	1.5
122.03660	10.5
128.06216	1.7
129.07034	4.4
129.10269	1.7
131.04913	1.0
131.08554	1.6
133.02826	1.8
133.06523	5.8
135.04364	1.0
137.05983	94.5
144.04417	2.2
144.05690	3.4
145.02847	3.6
145.06493	1.4
147.04381	0.9
149.06004	5.7
151.03915	0.8
151.07510	1.5
152.06198	0.8
155.04919	9.4
155.06052	1.3
156.05685	1.7
159.08064	7.8
161.05992	14.7
162.05420	0.9
164.04845	0.6
165.06967	3.5
172.05147	2.9
175.07561	3.2
177.05502	4.6
177.06831	1.0
178.07658	0.9
179.08556	2.0
181.06514	1.2
187.07545	27.5
189.07048	5.4
189.09061	1.1
190.06436	0.8
190.07780	21.6
190.09482	1.4
191.08562	53.2
193.06419	1.1
194.07353	1.0
195.08043	0.8
201.06953	1.9
202.07849	2.4
203.08577	1.6
205.06509	2.8
207.08084	5.4
208.08839	6.7
209.09641	1.0
211.07523	1.0
215.08575	0.8
217.06609	0.9
218.05220	0.9
218.07286	14.0
219.08052	68.2
220.08852	8.2
221.05989	2.8
221.09515	1.0
223.07532	1.5
225.09070	1.0
229.07753	1.9
233.06131	0.9
233.09593	1.8
235.07523	7.5
236.08307	15.6
237.09024	3.0
239.06967	1.3
246.06796	2.4
247.07549	26.6
248.08394	3.6
249.05354	1.7
249.09325	0.8
250.09865	1.2
251.10675	91.7
252.11050	0.8
253.08621	8.4
261.09137	4.5
263.07025	2.9
264.07779	9.3
265.08673	4.3
266.05688	1.0
267.10275	1.0
268.07349	1.3
268.10898	2.1
270.08676	1.1
278.09427	1.2
279.10159	80.5
280.10831	4.2
281.08099	12.3
283.09625	1.8
283.13489	1.6
290.51321	0.8
294.09207	0.8
295.09567	1.9
296.10416	14.8
309.11111	1.2
311.09528	4.1
311.12759	100.0
312.12613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90196	0.4
55.01854	1.0
55.05521	2.0
56.96569	2.1
57.07076	9.9
65.03924	0.5
67.05505	2.5
69.03397	0.4
69.07048	1.6
69.96784	1.3
69.97192	0.7
70.06548	1.2
71.01344	0.7
71.04975	0.5
71.08607	1.5
79.05481	2.0
81.03374	0.6
81.07074	2.8
83.04987	2.6
83.08595	0.8
88.07600	0.7
88.83920	0.3
91.05450	1.2
93.07067	2.3
95.04955	1.2
95.08600	2.3
97.06515	1.1
97.10159	0.8
98.21432	0.4
99.08075	0.6
105.07017	2.0
107.04933	0.8
107.08565	1.7
109.02863	0.9
109.06482	0.8
109.10115	1.2
111.04451	4.9
111.08041	0.6
118.04160	0.7
119.08556	1.2
121.10134	1.6
125.05985	1.5
125.09578	0.8
131.08546	0.8
133.10092	1.0
135.04442	1.0
135.11694	0.6
137.09613	0.9
139.11154	0.5
141.09076	0.6
145.10123	0.9
147.11708	0.6
149.02328	3.2
149.09578	0.6
151.11217	0.6
153.05479	3.8
153.12776	0.4
158.03625	0.7
159.11732	0.7
160.01564	3.6
163.07492	0.9
163.11151	1.6
167.10652	0.7
174.61139	0.5
177.05531	0.7
178.02658	2.8
181.04903	1.1
181.12265	1.9
182.03517	0.6
189.11276	0.4
191.10672	3.7
193.03299	0.6
193.04988	7.8
194.05252	0.6
195.13780	0.4
196.62590	0.7
200.20134	0.9
209.11736	26.0
209.65732	0.4
210.03142	1.4
210.64163	0.6
214.02580	3.0
219.10184	0.6
223.13152	0.5
224.65622	1.3
237.11227	22.1
238.02557	3.3
239.03398	6.3
240.04199	1.6
250.02661	2.1
253.04913	0.9
255.12271	5.9
256.26416	0.6
262.10736	0.7
265.18011	0.7
266.02219	0.6
267.02896	3.4
268.03705	4.8
275.20038	1.7
279.14075	0.5
280.11652	0.5
283.02609	0.5
284.03149	0.6
293.17514	3.7
293.21121	3.4
294.01685	0.7
295.02530	2.6
296.03171	70.2
299.65634	2.0
309.03900	1.6
311.05508	100.0
311.18927	2.6
311.24545	16.5
311.74667	2.3
312.05832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0552
Annotation	Maxima isoflavone A
Peak:m/z	Relative Intensity
55.01873	0.9
55.05524	2.0
56.96553	0.5
57.03440	0.6
57.06833	0.4
57.07080	5.6
58.39120	0.4
61.93314	0.4
67.05505	3.8
68.57075	0.4
68.99770	0.8
69.03428	0.4
69.07059	1.8
70.06589	0.6
71.04980	0.4
71.08638	0.6
73.89253	0.4
74.04212	0.4
79.05506	2.4
81.03436	0.7
81.07061	3.5
83.05000	2.4
83.08619	1.2
85.06531	0.7
88.07616	0.6
91.05488	2.5
93.07053	2.3
95.08617	2.5
97.06538	0.7
97.10153	1.5
98.16267	0.4
99.60886	0.4
105.07070	2.0
107.04970	0.9
107.08617	2.6
109.02894	0.7
109.06544	0.5
109.10153	1.7
111.04451	3.6
111.08084	0.7
111.18472	0.4
117.07029	0.7
119.08578	1.3
121.10193	1.9
123.08060	0.7
123.11710	0.6
125.06001	1.6
125.09627	1.2
127.95486	0.4
129.03363	0.6
131.08549	1.0
133.10126	1.6
135.04379	0.4
135.11731	0.7
137.09586	0.4
139.11229	0.5
143.08588	0.4
143.39314	0.4
145.10112	1.2
147.11728	0.9
149.02365	1.3
149.09612	0.9
153.05463	3.3
159.11703	0.5
160.01579	1.3
161.09680	0.4
163.03882	0.6
163.11214	1.4
169.10178	0.4
173.13159	0.6
175.11096	0.4
177.12775	0.5
178.02631	1.3
181.04944	0.8
181.06450	0.5
181.12238	1.5
189.11177	0.6
191.10687	2.5
193.04979	2.7
195.52887	0.4
196.62654	0.8
200.19978	0.5
203.12769	0.5
209.11745	20.7
210.03239	0.6
212.04678	0.8
214.02472	0.7
237.11230	15.5
238.02594	1.1
240.04370	1.0
255.06497	0.9
255.12282	4.6
256.26181	0.6
257.19110	0.6
266.02136	2.8
268.03671	8.9
275.20016	3.8
281.04547	2.8
283.02383	4.3
283.05994	1.2
293.17523	2.1
293.21118	2.0
294.01587	15.7
294.04944	0.9
309.03946	39.5
310.04361	0.5
311.05511	100.0
311.18576	1.7
311.24561	6.1
311.74869	0.5
312.02695	0.7
312.05911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2426
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.7
55.01872	11.5
55.05511	16.9
56.96564	2.4
57.03438	2.5
57.07061	2.7
60.74357	1.1
65.03944	1.2
67.05504	35.4
68.14050	0.9
69.03423	1.6
69.07069	49.0
69.76513	4.9
69.76929	2.2
71.04980	4.4
71.08628	3.0
79.05495	26.9
81.03412	2.7
81.07057	77.5
83.04979	7.2
83.08621	11.4
85.02893	1.2
85.06544	5.7
91.05476	17.2
93.07043	31.0
95.04950	3.2
95.08611	36.4
97.06543	9.7
97.10153	4.6
99.08084	7.7
105.07024	17.5
107.04938	1.9
107.08586	24.2
109.06518	14.6
109.10155	9.5
111.04440	15.3
111.08054	4.2
113.05978	1.2
113.09637	2.2
117.06999	3.3
119.08579	16.8
121.06541	1.0
121.09326	2.0
121.10145	23.6
123.04382	1.5
123.08081	7.3
123.11703	5.6
124.43362	1.0
125.05949	4.9
125.09639	17.5
129.06964	3.3
131.08548	7.4
132.40953	1.1
133.10133	12.2
135.08040	4.5
135.11697	26.4
137.05975	100.0
137.09627	1.9
137.13272	3.3
139.11163	1.6
143.08548	5.0
145.10143	6.8
147.08061	1.4
147.11694	19.1
149.09624	4.3
149.13281	8.2
151.07553	3.1
151.11189	2.6
157.10123	2.9
159.11664	6.6
161.09619	5.4
161.13260	10.2
161.63075	1.0
163.11212	6.7
163.14815	4.0
165.09122	4.3
165.12712	4.9
171.11650	5.2
173.13203	2.9
175.11183	4.8
175.14803	3.5
177.12756	2.2
179.10602	1.8
179.14281	2.5
181.12158	2.1
185.13252	3.5
189.12717	4.0
193.12256	15.9
195.13887	1.4
203.18005	5.7
207.13725	1.7
213.16406	2.5
221.15413	2.3
221.18954	2.0
231.17448	8.6
231.21042	1.9
241.15901	1.2
241.19513	4.3
249.18541	10.9
254.94643	1.5
259.20639	8.0
261.94760	1.1
273.18509	1.5
277.17972	70.4
277.21576	36.8
278.18460	1.6
291.19525	4.1
291.23132	4.5
291.26111	1.3
295.19083	9.7
309.20850	1.6
309.24252	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	6.1
53.14341	3.5
54.77377	3.4
55.01862	14.2
55.05511	30.1
56.96568	3.9
57.03431	8.0
57.07065	13.3
67.05182	5.5
67.05509	67.2
69.03430	3.6
69.07067	31.3
70.06574	4.5
70.33512	6.0
70.33907	9.1
71.04977	9.0
71.08634	38.3
79.05499	41.5
81.03412	17.9
81.06609	4.7
81.07059	57.4
83.04974	14.5
83.08622	19.3
84.08118	5.2
85.02901	8.3
85.06538	7.8
85.10186	19.0
91.05482	31.3
93.07040	48.0
95.05000	17.3
95.08592	37.7
97.06509	11.4
97.10179	16.9
99.08098	34.0
105.07042	27.5
106.37891	4.2
107.05006	8.1
107.08591	33.7
108.56277	3.6
109.06501	9.2
109.10147	22.3
111.04479	3.8
111.08094	13.5
113.09679	21.7
117.06997	11.5
119.08602	17.1
121.06519	4.6
121.10131	15.6
123.08060	8.5
123.11665	5.8
125.09631	16.5
129.06917	5.2
131.08614	8.9
133.10123	14.4
135.08049	7.1
135.11719	19.5
137.09547	9.8
139.07585	3.7
141.01778	4.5
143.08554	5.9
145.02878	6.8
145.10112	13.4
147.11652	15.8
149.09602	6.9
149.13295	7.5
151.11179	26.8
153.09039	4.8
157.10146	4.6
160.46452	3.4
161.13260	13.6
163.11168	13.0
163.14806	4.1
165.12724	21.5
171.11739	6.1
173.13287	4.6
175.11186	6.1
175.14810	9.4
177.05502	17.6
179.14365	6.2
181.12323	3.7
185.13263	6.7
189.12750	4.7
193.12175	4.8
199.14735	4.8
203.12746	12.9
219.13673	3.8
221.15388	5.1
231.20868	5.6
241.19484	11.7
243.88574	4.1
259.20511	10.9
273.18369	4.8
277.21622	100.0
291.19550	16.2
291.22919	5.4
294.01660	5.0
309.03894	9.6
309.16977	5.7
309.20502	12.4
309.24222	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.62949	1.0
53.03939	3.5
55.01862	4.0
55.05273	1.1
55.05515	15.5
55.06974	0.9
57.03423	3.1
57.07065	3.3
59.04996	1.0
59.81376	0.9
65.03946	1.7
67.05508	37.1
69.03427	2.1
69.06744	1.0
69.07076	15.1
71.05001	2.2
71.08635	43.5
71.17676	2.3
73.63301	0.9
79.05496	38.3
81.03441	5.8
81.07060	44.0
83.05000	12.1
83.08629	9.9
85.06531	2.1
91.05485	22.8
93.07050	50.0
95.04990	8.0
95.08614	35.3
97.06516	9.9
97.10166	3.9
99.08102	39.8
105.04470	1.8
105.07042	15.8
107.04967	6.5
107.08600	30.9
109.06514	3.2
109.10152	12.2
111.08076	3.2
112.99715	1.1
113.09669	1.1
115.05252	0.9
117.07027	4.2
119.08579	14.0
121.10157	26.0
123.08070	2.8
123.11713	2.6
125.09649	1.9
127.11195	1.9
129.07002	2.0
131.08606	4.4
133.10143	9.6
135.11699	33.8
135.12723	1.7
137.06039	1.0
137.09621	6.8
139.11157	1.9
141.09079	2.7
143.08563	2.2
145.10161	4.8
147.08034	1.1
147.11697	5.2
149.13263	11.1
151.11189	17.9
153.12721	1.9
157.10081	2.1
159.11716	3.5
159.33464	0.9
161.13269	11.0
163.11223	6.1
163.14847	1.5
165.12738	1.9
171.11635	2.4
173.13338	1.4
175.11281	0.9
175.14879	1.7
177.12732	3.3
179.14320	100.0
185.13269	1.1
186.44547	1.1
189.12816	2.5
195.13818	3.8
199.14830	2.0
221.15321	3.6
227.15567	1.0
235.16925	4.2
241.19521	1.5
249.22052	1.2
259.20685	5.4
277.21643	61.9
291.19632	1.8
291.23138	2.0
309.24356	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43345	0.6
53.03936	1.2
55.01867	1.6
55.05513	7.9
57.03436	2.9
57.07081	3.3
59.05011	0.7
65.03950	0.6
67.05506	12.7
69.03422	1.0
69.07069	8.8
69.47508	0.6
71.04992	1.9
71.08642	1.8
71.51698	0.8
71.77137	0.6
75.04479	0.8
79.05497	10.1
81.03440	1.1
81.07062	31.3
83.04993	1.6
83.08629	6.1
84.29457	0.6
85.06559	1.0
85.10197	0.8
87.95172	0.7
91.05484	10.7
93.07047	18.0
95.04966	2.8
95.08616	29.1
97.02892	0.8
97.06541	2.5
97.10160	5.2
99.04483	1.1
105.04561	0.8
105.07036	22.4
106.12743	0.7
107.04965	1.3
107.08597	20.4
109.06516	2.1
109.10155	10.9
111.08067	2.0
111.11707	1.8
113.05995	0.7
117.03396	1.0
117.07035	2.4
119.08586	42.2
121.06524	1.5
121.10150	19.4
123.08064	5.3
123.11716	3.4
125.09628	3.0
129.06996	1.5
131.08546	4.4
133.06560	0.8
133.10136	29.3
135.08054	2.5
135.11700	12.5
137.05957	0.9
137.09602	1.9
137.13286	1.2
139.11250	1.0
143.08553	3.2
145.02850	3.7
145.10139	3.9
147.04391	0.8
147.08076	2.4
147.11691	13.7
149.09573	1.3
149.13261	2.4
151.14748	0.8
155.08559	0.8
157.10156	3.7
159.11682	6.7
161.09621	2.9
161.13268	30.4
161.14633	1.5
163.11241	1.1
163.14847	1.0
171.11694	2.4
175.11195	2.5
175.14804	1.7
177.05464	6.2
189.11328	1.6
189.16388	100.0
190.16676	1.2
191.17914	0.8
193.12233	0.9
199.14828	4.3
206.07268	0.9
211.13239	1.4
217.06461	0.6
217.13855	1.2
217.15897	19.9
218.07336	1.1
221.09677	0.8
222.45784	0.7
227.17905	1.1
234.06755	1.8
235.07661	1.0
235.16933	25.7
247.20569	1.1
249.09001	2.0
266.09351	1.2
273.18506	5.7
273.25726	2.1
277.08551	3.3
281.11703	2.9
282.11487	0.7
291.19510	7.8
291.26761	2.3
294.08939	1.1
309.07895	1.6
309.11118	7.2
309.20563	25.9
309.27777	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	309.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29255	1.1
53.03945	9.8
55.01884	4.9
55.05513	16.8
57.03426	2.3
57.07064	4.3
57.81423	0.8
58.88391	0.8
67.05508	37.5
69.03451	1.2
69.07071	23.8
69.99220	3.1
69.99601	2.0
71.05009	1.6
71.08619	3.6
71.27039	1.0
79.05502	22.8
81.03422	43.2
81.07062	34.8
83.04986	10.4
83.08620	7.4
85.06544	1.8
85.10176	2.3
91.05481	12.3
93.06482	1.7
93.07051	25.2
95.04971	23.7
95.08607	14.0
97.06529	2.2
97.10168	7.8
99.08090	1.7
105.07034	15.7
107.08604	18.2
109.06503	5.3
109.10158	12.4
111.08066	1.9
117.07001	2.8
119.08584	7.4
119.75848	1.1
121.10156	7.6
123.08063	2.1
123.11736	5.7
125.09654	11.8
129.06975	1.4
131.08601	2.8
133.10130	12.5
135.08046	5.5
135.11720	6.1
137.13252	2.3
143.08524	1.7
145.10176	2.3
147.11674	9.0
149.09569	1.1
149.13261	5.1
151.11185	32.3
153.09111	5.6
157.10155	1.7
161.13269	8.3
163.14824	4.2
165.12762	7.5
171.11664	3.7
175.11206	1.7
175.14833	4.2
177.12712	2.9
179.10709	1.2
179.14326	4.5
185.13223	2.3
189.12724	2.9
193.12305	1.8
199.14827	1.0
201.65321	1.0
203.12764	7.5
207.13762	3.4
217.19554	1.9
231.21062	8.9
241.19531	5.0
249.22086	4.0
259.20547	7.7
277.21640	100.0
309.24237	3.5
309.29868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03937	3.3
55.01869	6.6
55.05280	1.8
55.05517	28.8
56.96563	3.8
57.01810	1.7
57.03443	18.3
57.03712	2.5
57.07073	4.2
60.41278	1.7
65.03947	1.6
67.05505	24.2
68.88970	1.7
69.03416	3.8
69.07051	9.7
70.06602	2.1
70.22890	1.4
70.71439	1.4
70.81097	3.5
71.04975	3.6
71.08636	1.6
72.08146	1.9
72.60659	1.9
73.05585	1.6
77.03898	1.5
79.05494	29.3
81.03426	1.8
81.06600	2.1
81.07061	39.1
83.04972	4.0
83.08620	13.6
83.19685	1.8
84.08146	3.4
85.06536	7.2
91.01832	1.4
91.05474	19.2
93.07060	18.0
95.04962	7.4
95.08604	13.0
97.06532	4.5
97.10189	14.2
99.08084	4.6
100.07604	4.1
100.11257	8.9
103.05468	2.7
105.07040	16.2
107.04954	12.2
107.08600	16.5
109.06538	14.0
109.10159	8.1
111.04440	5.6
111.08092	3.4
112.07601	1.7
117.07019	12.6
119.08594	26.1
121.06502	6.2
121.10168	8.0
123.04447	1.7
123.08066	6.4
125.09645	12.3
126.09104	2.2
128.06226	2.3
128.07135	1.7
129.06992	8.2
130.81445	1.6
131.08589	10.1
133.06453	3.1
133.10150	6.2
135.08052	6.3
135.11665	4.3
137.09676	2.9
143.08575	4.7
145.02855	1.9
145.10114	13.8
147.08026	13.4
147.11693	3.8
149.09598	4.2
149.13293	2.5
151.11215	2.2
153.09116	3.1
157.10150	7.1
159.07994	1.8
159.11668	4.8
160.01587	9.8
161.09605	4.1
161.13387	2.0
163.03911	1.6
163.11168	4.3
165.09166	2.5
171.10214	2.2
171.11655	4.3
173.13298	1.9
175.11165	2.0
177.05476	4.5
178.02652	6.9
182.03645	5.2
182.15422	28.7
185.13275	2.6
189.11234	7.3
193.12262	6.4
199.14825	3.4
210.03117	5.7
210.14906	35.6
214.02600	5.4
217.15916	3.1
219.13800	4.6
223.13223	2.6
227.17943	1.8
237.14830	2.0
238.02565	10.7
245.19096	2.3
249.06870	2.2
249.14751	4.7
255.17496	4.1
263.20163	1.8
266.02063	10.0
273.18478	31.9
277.21689	2.9
291.19577	64.8
293.98428	2.9
294.01605	35.5
309.03934	100.0
309.16809	3.9
309.20432	23.9
309.25449	10.3
310.04239	2.5
312.02466	2.8
327.05078	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03947	7.3
53.43042	2.8
55.01874	23.1
55.05511	34.2
56.96559	7.8
57.03440	6.5
57.07066	8.6
61.73827	2.9
65.04946	2.6
67.05138	5.1
67.05509	100.0
69.03419	8.0
69.07076	37.3
69.16938	13.4
69.17363	19.3
71.04988	13.3
71.08627	13.8
73.43956	3.2
77.03906	2.8
79.05071	4.7
79.05502	54.2
81.03411	12.9
81.07066	84.2
83.01373	4.7
83.04995	17.7
83.08623	18.1
85.02899	7.7
85.06541	11.0
91.05486	61.3
93.07045	69.0
95.04968	13.5
95.08617	67.1
97.06526	11.1
97.10171	10.6
99.04464	5.7
99.08091	11.6
105.07046	56.3
107.04964	13.4
107.08600	62.9
109.06511	12.8
109.09480	6.1
109.10165	84.5
111.04462	5.3
111.08076	11.6
113.05992	5.4
116.98545	2.9
117.07006	10.5
119.08600	24.7
121.06524	12.4
121.10136	19.3
122.55036	3.2
123.08073	24.9
123.11703	11.6
125.09618	11.7
127.07545	7.4
129.07002	8.7
131.08566	13.1
133.06505	11.4
133.10143	85.6
135.08089	11.9
135.11700	11.7
137.09628	10.9
139.07597	7.4
140.09438	3.6
143.08609	7.5
145.10115	13.9
147.08087	12.8
147.11665	11.3
149.09607	9.1
149.13292	6.0
151.11188	51.8
153.09056	4.3
157.10155	9.2
159.08118	3.1
159.11707	7.9
160.01639	8.1
161.09653	13.2
161.13310	6.1
163.11177	4.5
165.09113	6.6
167.10710	3.5
169.12216	17.0
171.11665	5.1
173.09633	4.1
175.11186	8.5
178.02635	6.3
179.10699	4.9
181.08603	3.5
182.03598	5.6
189.11259	4.0
189.12787	3.6
193.12280	6.4
195.10085	3.5
195.13939	2.9
210.03084	6.4
215.12772	6.2
223.13335	3.4
231.13768	4.2
238.02560	8.5
245.18971	14.4
248.10487	3.2
255.17378	6.0
263.20139	13.9
266.02029	7.6
273.18527	42.8
277.21600	9.4
291.19592	68.7
294.01587	29.2
309.03940	99.6
309.13260	4.4
309.20517	26.4
309.24377	9.7
327.05017	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03955	17.3
55.01884	6.3
55.05513	7.9
57.03441	11.3
59.05009	1.5
65.03947	1.3
67.05503	42.2
69.03421	3.8
69.07069	7.1
69.30616	1.4
70.31779	5.3
71.04992	14.7
73.02914	3.2
79.05497	28.3
81.03418	43.7
81.07054	52.4
83.04970	6.7
83.08619	4.3
85.02895	5.6
85.06543	3.6
86.09692	5.6
87.10030	1.6
91.05469	21.3
93.07041	32.0
95.01304	3.0
95.04971	15.3
95.08611	27.2
97.02874	2.8
97.06538	10.8
97.10171	1.7
99.08095	7.4
103.03933	1.7
103.05481	1.6
105.07037	21.6
107.04951	15.5
107.08582	13.6
109.06524	28.9
109.10156	7.7
111.04417	2.8
111.08077	5.5
113.02344	1.4
113.06009	1.4
114.00285	1.3
115.05422	1.7
115.07566	1.5
117.06997	13.9
119.04932	2.0
119.08602	10.6
121.06504	8.9
121.10148	7.8
123.04436	2.3
123.08051	19.6
123.11748	2.5
125.09581	2.2
125.71030	1.4
127.07525	1.5
129.07024	3.2
131.04922	1.9
131.08572	15.2
132.10167	2.9
133.06476	2.6
133.10112	10.2
135.08055	19.5
135.11681	14.6
137.09624	1.6
141.01817	2.6
141.06956	3.8
143.08583	3.7
145.06482	11.3
145.10092	8.5
147.08008	3.6
149.09625	5.4
149.13301	6.7
151.11110	1.6
157.10103	5.0
159.02896	1.7
159.08110	2.2
159.11703	13.7
161.09662	4.5
161.13351	1.6
163.11229	3.3
169.10144	6.0
171.11702	3.6
173.13226	2.6
175.11099	2.0
177.03986	1.6
177.05446	1.9
177.12776	8.3
187.11180	14.1
188.66273	1.2
191.14391	1.4
195.13858	6.5
199.14857	2.7
203.14342	2.1
205.12192	3.2
217.15910	13.6
219.13736	1.8
221.15405	4.0
223.13281	5.2
227.17944	1.6
233.15450	2.6
241.14383	6.3
245.18906	1.8
251.16396	2.9
255.17422	2.8
263.19952	2.4
265.49213	1.5
273.18491	18.2
291.19543	100.0
309.11969	1.1
309.20242	13.9
309.25766	1.5
309.61517	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03934	2.5
55.01865	4.9
55.05507	6.6
57.03440	35.4
57.07077	1.7
60.54111	1.2
65.03938	2.1
65.58874	1.2
67.05509	25.3
69.07063	3.0
70.62953	3.6
71.04982	3.5
75.07734	1.2
78.09586	1.3
79.05499	11.6
81.03426	1.7
81.07060	12.0
83.04960	1.4
83.08620	2.2
85.06548	33.7
91.05510	10.9
93.07043	12.7
95.04975	40.4
95.08600	7.1
97.06537	2.0
102.10199	1.4
105.07054	7.3
107.04948	2.0
107.08616	10.3
109.06520	40.3
111.08026	1.4
113.06012	100.0
117.07028	7.0
119.08609	6.8
121.06553	2.7
121.10145	3.6
123.08064	1.9
128.06245	1.7
129.07031	3.5
131.08586	7.8
133.10138	4.6
135.08063	31.5
135.11681	3.5
143.08603	3.0
145.10139	4.7
147.08055	2.4
147.11699	1.5
149.09624	4.4
149.13283	1.9
157.10104	4.2
159.11682	2.6
161.09644	3.6
163.11234	2.0
171.11681	2.2
173.13269	2.1
175.11143	1.4
183.11650	1.4
199.14867	3.4
201.12662	1.4
207.99155	1.4
217.15921	12.2
255.17491	2.0
273.18494	17.5
289.01532	1.2
291.19571	51.0
309.20728	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2063
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03938	2.0
55.01857	4.4
55.05274	1.6
55.05516	22.4
55.75742	1.0
56.96550	1.2
57.03429	1.6
57.07080	2.1
61.23120	1.1
65.03959	1.3
67.05512	19.9
67.78522	1.3
69.03437	2.9
69.07078	14.8
71.04989	2.4
71.08632	2.4
71.45095	2.3
72.08137	1.1
75.84563	1.0
75.96195	1.2
78.79335	1.0
79.05500	16.5
81.03413	3.2
81.07063	20.3
83.04974	4.6
83.08629	11.6
83.95948	0.9
85.06532	2.3
91.05486	9.6
93.06474	1.4
93.07047	12.4
95.01321	1.1
95.04967	4.6
95.08614	11.5
97.02911	2.5
97.06525	2.3
97.10179	17.1
99.08092	2.8
105.07055	9.6
107.04942	2.5
107.08611	9.6
109.06519	3.8
109.10167	6.7
111.04432	2.8
111.08084	2.1
117.07037	3.7
119.08575	8.9
121.06496	1.8
121.10126	4.2
123.04411	1.2
123.08074	4.5
123.11706	1.9
125.09624	12.1
129.06999	2.1
131.08600	5.3
133.06496	2.7
133.10152	4.8
135.08040	3.6
135.11694	3.6
137.05971	8.0
137.09602	3.2
143.08507	2.8
145.10121	4.2
147.08054	4.8
147.11647	4.8
149.09648	2.4
149.13263	1.7
153.12750	1.2
157.10130	2.0
159.11739	1.3
159.90190	1.3
163.11188	1.6
165.09114	3.2
171.11572	1.6
175.11169	1.8
177.12773	1.2
189.11234	6.3
189.12704	1.4
193.12286	2.2
223.13319	5.6
223.15187	1.1
231.17229	1.2
245.19083	1.4
255.17697	2.0
263.20172	1.4
273.18466	8.9
277.18051	5.6
277.21625	4.8
291.19547	100.0
294.68665	1.1
309.20703	4.4
309.24298	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03944	1.2
55.01870	8.5
55.05513	10.1
56.96556	1.3
57.03441	1.4
57.07066	1.8
59.04998	0.7
65.03946	0.9
67.05508	19.9
69.03417	1.2
69.07072	24.4
69.20267	1.5
69.20676	4.2
71.04998	2.1
71.08620	0.8
79.05494	16.2
81.03400	1.0
81.07059	50.0
83.04983	4.5
83.08615	4.8
85.02867	0.9
85.06533	2.8
91.05486	8.7
93.07044	17.1
94.99702	0.5
95.04975	1.8
95.08609	17.6
97.06528	5.8
97.10172	2.1
99.08121	4.0
105.07034	8.2
107.04939	1.0
107.07883	1.0
107.08594	12.7
109.06518	15.0
109.10149	6.1
111.03718	1.1
111.04443	13.2
111.08080	2.3
117.07025	2.2
118.85148	0.5
119.08583	9.5
121.10154	12.0
121.11025	0.6
123.04506	0.6
123.08070	4.2
123.11707	3.8
125.06002	3.8
125.09632	7.9
129.07021	2.2
131.08548	3.8
133.10138	6.8
135.08046	2.3
135.11702	12.7
137.05983	100.0
137.09576	1.6
137.13237	2.0
139.11217	0.7
143.08540	2.9
145.10152	2.9
147.08029	1.7
147.11700	10.4
149.09628	3.2
149.13248	4.9
151.07539	3.2
151.11194	2.1
157.10132	2.5
159.11682	2.3
161.09624	5.2
161.13284	5.0
163.11206	3.6
163.14839	1.6
165.09177	2.5
165.12715	2.7
167.10565	0.6
171.11717	2.8
173.13280	1.8
175.11183	4.3
175.14854	2.5
177.09116	0.7
177.12741	1.2
179.10681	2.1
179.14310	1.5
181.09831	0.6
181.15927	0.6
185.13284	2.1
189.12706	2.9
189.16255	0.6
191.14299	0.9
193.12204	3.5
195.13756	0.8
203.17892	5.8
205.19461	0.7
207.13861	1.7
213.16441	2.6
221.18979	2.3
223.14848	0.8
231.17439	8.3
231.20976	0.9
235.17059	0.7
241.15953	1.1
241.19513	2.3
249.18506	9.8
259.20609	3.8
277.18011	63.6
277.21582	17.1
278.18240	0.8
291.19547	1.4
291.23151	2.2
295.19089	8.5
309.12912	0.7
309.20993	0.9
309.24316	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	309.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05517	8.2
57.03444	7.5
57.07078	1.4
59.05002	1.8
62.37841	1.3
65.03940	1.2
66.34881	1.0
67.05508	11.0
68.99819	1.0
69.03427	2.8
69.07082	7.6
70.06615	1.5
71.04992	2.8
71.51888	1.7
72.93817	1.1
79.05508	13.5
81.03429	1.9
81.07063	29.6
81.07535	1.8
83.04986	2.4
83.08622	4.8
85.02909	2.6
85.06556	3.5
86.09703	1.2
91.04964	1.8
91.05484	12.5
91.32581	1.2
93.07051	21.3
94.90240	1.0
95.04974	5.2
95.08618	28.2
97.02886	4.1
97.06548	3.8
97.10176	3.2
99.04462	1.6
99.08102	11.2
105.07039	24.9
107.04977	3.0
107.08598	20.2
108.13267	1.0
109.05882	0.9
109.06519	5.6
109.10178	10.9
111.08086	3.2
117.07005	1.9
119.08587	34.6
121.06544	1.8
121.10152	16.3
123.08067	5.5
123.11697	5.7
125.09608	2.8
127.07579	4.0
129.07040	1.7
131.08565	5.9
133.06496	1.2
133.10135	24.2
135.08057	4.5
135.11690	12.3
137.13200	1.4
137.51360	1.0
141.08376	1.0
143.08592	2.3
143.22618	1.1
145.02866	4.8
145.10135	3.4
147.08089	3.0
147.11699	14.4
149.09663	2.0
149.13298	1.6
151.03912	2.0
151.11195	1.0
157.10156	3.7
159.07994	1.2
159.11746	6.0
161.09659	3.2
161.13271	31.8
163.11191	1.3
173.13315	1.8
175.11203	1.9
175.14911	1.4
177.05466	9.9
189.12811	3.0
189.16400	100.0
190.16788	1.8
199.14867	4.3
217.15889	22.0
219.08321	1.2
223.13277	1.5
231.13905	1.4
234.06870	2.2
235.16971	27.6
249.09134	4.7
251.06993	1.8
255.17583	1.2
256.93155	1.1
262.06393	1.2
263.07083	1.3
263.19943	1.6
273.18484	6.9
277.08636	8.3
281.11667	2.7
291.19559	12.5
294.08951	2.2
309.07730	2.5
309.11227	11.2
309.17111	2.0
309.20572	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	309.2061
Annotation	Albocycline
Peak:m/z	Relative Intensity
53.03939	1.0
54.24517	0.4
55.01857	1.8
55.05512	4.6
56.96554	1.6
57.03428	1.4
57.07060	1.9
60.93888	0.5
63.75710	0.4
66.42669	0.5
67.05508	7.8
69.03426	0.6
69.07060	4.3
69.18457	4.2
71.04985	1.4
71.08631	5.2
79.05494	5.8
81.03419	2.5
81.06595	0.6
81.07054	9.2
83.04955	1.8
83.08609	2.0
83.79757	0.5
85.02904	0.6
85.06537	2.0
91.05482	4.1
93.07047	4.2
95.04971	5.6
95.08610	5.0
97.02891	1.8
97.06528	2.4
97.10167	2.1
98.03637	0.8
99.08103	3.1
105.07029	3.3
107.04937	2.0
107.08615	3.0
109.02904	0.7
109.06507	4.4
109.10108	2.7
111.04453	2.3
111.08070	1.7
112.72105	0.5
113.06017	1.7
117.07008	1.4
119.08591	2.9
121.06496	1.3
121.10141	1.9
123.04449	6.6
123.08027	1.5
124.05221	2.0
125.06053	0.7
125.09649	1.0
129.06950	0.7
131.08563	1.8
133.06567	0.8
133.10143	2.2
135.08093	3.2
135.11678	1.3
137.05994	5.7
137.09598	1.4
143.08517	0.9
145.10159	1.1
147.08063	0.7
147.11708	1.6
149.09631	1.6
151.07533	0.9
153.09117	0.7
157.10101	1.0
159.11755	0.7
161.09656	0.9
161.13292	0.6
163.11186	1.4
165.09149	1.2
165.12776	0.9
167.10709	0.9
171.11726	0.7
175.11200	0.9
177.05472	0.8
179.10730	0.9
180.11444	1.0
190.95406	0.9
193.12248	17.3
201.59789	0.5
217.15907	0.8
227.62531	0.5
231.13766	0.7
245.19084	1.4
255.17331	0.9
263.20078	1.7
273.18549	3.6
283.08191	0.6
291.19559	22.9
309.20615	100.0
310.20917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1859
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
55.01872	0.4
55.05513	2.2
55.38403	0.4
56.96578	0.4
62.57575	0.3
67.05506	1.3
69.03420	0.5
69.07066	1.2
70.06582	1.5
71.04993	0.3
71.51357	0.4
71.51839	0.3
72.08144	1.0
79.05511	1.1
81.07046	1.5
81.71127	0.3
83.08614	1.5
84.04525	0.4
84.08143	1.9
85.06577	0.4
86.09699	1.0
89.89584	0.3
91.05490	2.3
93.07040	1.2
95.04988	0.4
95.08605	1.7
97.10169	0.7
98.97593	0.7
101.45486	0.3
103.05471	7.7
105.07061	0.5
107.04980	0.4
109.02877	0.4
109.10174	0.4
115.05461	0.9
117.03408	1.1
117.07022	5.4
117.07775	0.6
119.04945	1.1
119.08566	0.7
119.62216	0.4
120.08110	1.3
121.06507	1.3
121.10177	0.6
123.04440	7.3
125.09673	0.4
129.07011	1.2
129.10268	0.4
131.04938	23.9
131.08551	1.5
131.11804	1.1
132.44243	0.4
132.77716	0.4
133.06529	0.5
135.04451	0.8
137.05978	9.1
137.09624	0.4
138.06296	0.4
143.04924	0.5
143.08580	0.6
144.05673	0.4
145.02852	2.5
145.06494	14.3
146.03172	1.9
147.04424	6.1
147.08055	0.5
149.05989	67.6
151.07565	0.6
154.08636	0.5
157.06480	2.5
159.08076	2.9
161.06015	5.0
162.06737	0.5
163.03903	0.7
163.07550	18.5
164.07114	2.7
165.05489	5.0
166.08682	1.5
167.07083	1.0
171.08015	0.9
173.05994	3.7
173.09694	0.4
175.07552	6.6
177.05498	4.5
177.07857	2.3
177.08955	2.1
178.05829	2.9
185.09738	0.4
187.07559	1.6
189.09145	2.4
191.10670	0.4
199.07547	1.1
202.11073	0.4
209.13219	0.4
213.09100	1.0
214.09923	0.3
227.10834	0.4
228.85062	0.3
237.12781	1.4
245.15395	0.7
246.15005	1.0
255.13794	3.2
273.14853	7.8
279.07681	0.7
290.17517	3.0
291.12955	0.4
291.15933	7.1
308.18573	100.0
309.19028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2223
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.68069	0.2
51.02374	0.2
54.05782	0.2
55.05526	0.4
56.96554	0.6
57.07060	0.4
63.25225	0.2
63.38654	0.2
63.86804	0.2
67.05503	0.3
69.07059	0.7
71.08622	0.5
72.08147	0.8
79.05499	0.6
81.07051	1.8
85.06528	0.2
85.10214	0.3
91.05460	1.1
92.05758	0.2
93.07033	0.3
94.04198	2.0
95.08613	0.9
101.45446	0.2
104.82306	0.2
107.04925	0.4
107.08600	0.2
109.06516	0.7
111.54333	0.2
120.08122	0.4
121.06509	0.2
122.03664	6.4
128.10686	0.4
133.10126	0.2
135.04390	0.2
137.05984	100.0
137.13254	0.7
138.06316	0.7
153.12766	0.2
155.14400	0.3
164.05423	0.2
165.12790	0.5
172.16998	1.4
184.16982	3.1
228.10089	0.2
266.61993	0.8
275.12289	0.3
275.62479	2.5
276.12601	0.8
284.63052	1.0
287.13202	1.4
291.20303	0.2
291.23154	1.2
296.13605	0.2
308.22418	0.8
308.25964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01878	15.6
55.05516	15.9
56.05831	1.1
56.96566	0.9
57.03430	1.0
57.07069	1.6
65.03938	0.9
67.05511	18.7
68.05826	2.0
68.30667	0.6
69.03415	2.4
69.06738	1.0
69.07075	11.9
69.17349	3.2
69.17786	2.6
70.07401	1.2
71.04979	1.9
71.08625	1.5
76.85366	0.7
79.05071	0.9
79.05495	11.6
81.03422	1.5
81.06593	1.0
81.07059	15.4
82.07390	1.9
83.04972	2.4
83.08627	6.8
84.08974	1.0
85.05267	2.1
85.06547	0.8
86.05579	0.5
86.06067	0.8
91.05486	7.9
93.06492	0.8
93.07053	12.3
95.04972	6.9
95.08614	17.6
96.08946	1.3
97.02809	0.6
97.06527	3.6
97.10163	2.7
97.53518	0.5
98.06065	10.6
99.06361	3.3
99.08076	0.9
101.24458	0.6
105.07040	8.3
105.70726	0.7
107.04985	3.7
107.08604	11.1
108.08923	0.6
109.06527	31.7
109.10161	8.4
110.09648	0.6
110.10455	0.6
111.08096	15.1
112.07623	1.2
113.07980	0.6
117.07016	1.7
119.08601	7.1
121.06517	2.1
121.10155	5.5
122.03771	0.6
123.04510	0.9
123.08071	2.3
123.11713	1.3
125.09632	2.3
129.06984	1.1
129.56454	0.6
131.08598	3.2
133.10162	4.1
135.08051	2.1
135.11688	2.2
137.05972	2.4
137.09627	9.6
138.06325	1.7
139.11201	1.0
141.06976	0.7
145.10120	4.3
147.08028	1.1
147.11697	3.4
149.09647	4.7
149.13234	1.1
151.11208	1.7
154.90067	0.7
157.10205	1.0
159.11731	2.5
161.13248	1.4
163.11180	4.7
163.14796	0.6
165.09142	1.8
165.12740	7.4
167.46089	0.6
169.12225	2.2
173.13293	2.3
175.11194	1.1
177.12781	1.8
179.10680	1.5
181.45500	0.6
187.11220	0.8
191.14227	1.2
197.17310	0.9
201.12723	0.7
203.12778	2.1
205.15587	0.7
229.19604	1.1
244.73451	0.6
251.16516	7.1
257.18954	2.3
261.03046	1.2
275.20102	9.3
289.21573	6.7
307.22818	43.9
307.28244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03940	1.4
55.01878	4.2
55.05272	1.4
55.05515	17.2
56.05846	2.0
56.96544	1.1
57.03424	1.8
57.07071	6.9
59.38174	0.7
67.05505	21.2
68.05837	2.0
69.03415	2.6
69.07071	14.5
70.07379	1.5
70.39314	0.9
71.04979	2.0
71.08626	7.0
71.52682	1.6
77.03917	0.7
79.05493	12.9
81.03397	1.0
81.07056	26.5
82.07378	1.9
83.04976	2.9
83.08624	5.2
83.16765	0.8
83.62637	0.8
84.04488	0.7
84.08942	0.8
85.05289	1.3
85.06548	3.9
91.05482	10.2
92.45744	0.7
93.07043	14.2
95.04966	17.9
95.08605	19.3
96.08949	1.8
97.06514	4.3
97.10173	3.0
98.06046	8.7
99.06388	2.4
99.08094	5.2
105.07041	12.1
107.04960	1.6
107.08585	13.1
108.05771	1.0
109.06518	41.7
109.10143	7.1
111.08096	1.1
117.07034	3.3
119.08588	10.5
121.06498	7.7
121.10160	5.5
123.08060	5.1
123.11700	2.5
125.09634	1.7
131.08565	4.5
133.10146	5.3
135.08060	5.9
135.11691	3.7
137.05984	3.4
137.09610	2.3
138.06317	3.0
139.11171	1.4
143.08531	0.9
145.10138	4.2
147.08090	1.0
147.11685	5.7
149.09622	3.4
149.13286	2.1
157.10118	1.8
159.11740	4.2
161.13290	3.6
163.11201	4.0
163.14841	0.9
165.12752	94.5
171.11714	0.8
173.13261	3.7
175.11188	2.3
177.12769	5.8
179.14328	2.6
183.11659	0.8
185.13252	1.7
187.14841	1.0
189.12823	0.9
191.14317	3.9
201.16364	1.1
203.14398	1.5
205.15904	1.1
215.14384	1.6
219.17387	1.8
229.19759	0.9
235.16849	1.0
247.20464	1.0
250.76468	0.7
251.16437	6.5
257.18991	1.5
261.02905	0.8
261.22101	9.2
263.28806	0.8
271.20529	2.0
275.20053	6.5
289.18344	1.9
289.21622	31.5
307.22650	100.0
307.28232	96.0
308.22934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01876	13.9
55.05280	3.8
55.05519	60.3
57.03192	2.0
57.03449	14.7
57.07076	4.6
67.05512	77.1
69.03429	3.7
69.07079	30.3
71.04969	4.7
71.22620	4.3
76.26700	2.4
79.05502	88.9
81.03428	11.3
81.07066	100.0
83.04997	16.5
83.08627	26.6
85.06525	9.5
91.05495	47.4
93.06490	3.6
93.07059	59.4
95.04968	11.2
95.08620	59.2
97.06557	19.7
97.10181	35.3
99.04456	6.9
99.08058	3.3
105.07031	48.2
105.30186	2.6
107.04973	33.0
107.08604	68.4
109.06528	14.0
109.10162	29.1
111.08066	8.4
112.04915	2.9
117.07024	17.7
119.08594	40.9
121.06520	4.4
121.10174	20.0
123.08057	8.6
123.11692	10.5
125.09651	43.3
129.07048	2.8
130.58598	2.3
131.08572	19.8
133.10159	31.6
135.08069	17.3
135.11696	12.2
137.09685	5.3
137.64963	2.2
143.08542	4.1
145.10124	17.7
147.11717	17.6
149.01248	4.0
149.09634	52.1
149.13246	7.3
151.11227	5.1
153.09077	9.3
157.12268	3.8
159.11743	17.1
161.09576	2.5
161.13248	7.4
163.11237	4.5
163.14857	3.1
169.10121	3.9
169.12212	2.6
173.13261	8.5
177.12718	5.5
179.14326	4.3
185.13214	6.0
187.11234	4.6
201.16510	2.7
203.12782	39.4
203.14442	3.2
204.98880	2.5
209.15378	7.2
215.17809	2.5
215.28998	2.3
219.17444	58.3
229.19551	6.0
239.17902	3.9
247.20641	4.3
257.19070	13.5
275.20093	79.4
307.22641	11.0
307.26266	24.1
307.28714	8.8
328.80063	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1907
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01872	6.0
55.05518	32.3
56.96548	5.5
57.03442	20.6
57.07084	12.3
59.04721	2.5
59.05005	45.1
67.05506	23.1
69.03424	2.9
69.07060	7.5
71.04961	2.7
71.51304	3.3
72.08123	2.9
76.97326	2.3
79.05493	21.2
81.07069	25.7
83.04989	100.0
83.08614	7.0
90.48492	2.4
91.05489	22.2
93.07042	17.3
95.04961	3.2
95.08613	17.2
97.06529	4.3
97.10190	2.7
99.04430	4.9
105.07043	15.9
107.04975	14.2
107.08569	13.4
109.06515	8.3
109.10188	3.9
111.04447	93.3
115.11215	5.0
117.07000	9.2
119.08607	15.3
121.02863	4.8
121.06500	9.1
121.10132	7.6
123.08038	3.0
125.05944	4.2
125.09711	2.4
129.07021	2.7
131.08539	13.8
133.06477	4.7
133.10121	9.4
135.08066	7.4
135.11705	4.4
137.05980	8.1
138.06354	4.1
141.06966	3.3
143.08522	3.4
145.06464	3.5
145.10110	11.0
147.08028	9.1
147.11687	5.4
147.66306	2.4
149.05997	4.4
149.13171	3.0
151.05525	2.3
155.08617	3.7
157.10153	3.7
159.08032	7.7
159.11671	5.1
161.09558	6.0
161.30670	2.8
163.07594	3.9
163.11188	7.3
171.11710	6.0
173.15417	3.9
177.09145	3.0
177.12769	22.0
187.14760	5.2
191.03571	2.6
205.15869	9.6
215.14334	4.4
233.15430	20.7
243.09074	5.5
243.17444	4.6
253.15854	5.6
261.03055	4.9
261.10257	2.8
261.18597	20.9
271.16901	14.0
275.20087	7.1
289.15048	4.0
289.18018	53.5
289.21262	3.5
289.25302	2.8
307.09641	3.2
307.18973	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	307.1905
Annotation	Capsiate
Peak:m/z	Relative Intensity
53.96231	4.7
55.01876	6.9
55.05506	28.3
56.96560	14.2
57.03438	33.6
67.05505	32.3
69.07060	18.1
71.52371	7.0
72.08163	6.1
79.05495	27.8
81.03408	5.3
81.07046	25.6
83.04996	31.7
85.06570	5.7
91.05482	16.8
93.07068	30.8
95.04974	14.5
95.08628	27.3
97.06554	5.2
97.10151	6.0
98.97590	5.1
105.07045	25.5
107.04958	41.3
107.08596	25.3
108.08873	5.1
109.06536	15.2
109.10165	15.4
111.04454	13.6
117.07028	9.4
119.08578	15.8
121.06493	8.0
121.10143	15.1
122.03641	5.4
123.08044	6.3
131.08542	11.4
133.06511	5.7
133.10150	12.2
135.04405	4.4
135.08057	12.6
135.11682	6.1
137.05983	100.0
137.09621	9.4
138.06325	67.9
145.10129	12.0
147.08044	5.7
147.11749	8.3
149.09689	5.4
161.09637	10.7
163.11137	8.7
165.09122	5.5
165.12743	12.6
166.13063	9.4
173.13300	6.9
175.11317	4.6
177.12813	12.3
205.15846	5.2
215.14278	5.3
217.92302	4.5
233.15359	18.7
243.17427	5.8
258.97879	4.7
261.03143	14.7
261.18484	15.8
271.16925	10.9
275.20181	13.0
289.18036	36.4
289.21387	10.2
290.21979	19.4
296.55371	4.9
307.09753	4.8
307.19000	9.8
307.24640	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	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.7
55.05269	4.0
55.05512	45.4
57.03436	32.3
57.07076	3.1
60.45372	2.5
67.05504	42.1
69.03409	4.9
69.05099	2.5
69.07066	11.9
71.51714	3.6
71.52073	3.0
79.05491	40.1
81.03419	5.8
81.07061	28.0
83.04953	3.5
83.08617	19.0
83.09042	3.1
91.05476	24.1
93.07036	20.0
95.04967	11.6
95.08607	13.0
97.06502	7.0
97.10165	34.8
105.07050	17.1
107.04958	14.8
107.08585	23.1
109.06535	13.6
109.10151	11.4
111.04507	3.1
111.08113	3.8
117.07010	14.4
119.08574	16.3
121.02872	4.0
121.06480	9.1
121.10120	4.2
125.09608	18.0
127.97839	2.4
129.06993	6.1
131.04947	3.3
131.08559	10.2
133.10100	8.3
135.08043	21.2
135.11722	4.0
137.06010	4.0
137.09653	5.8
143.08530	3.8
145.06467	4.5
145.10121	8.1
147.08026	3.5
147.11641	3.1
153.09140	9.7
155.08556	4.8
157.10202	5.6
159.08051	58.0
159.11667	3.7
160.08704	3.2
161.09615	5.5
163.07544	8.7
163.11246	3.3
169.10187	5.3
171.10229	3.4
171.11606	5.4
173.09651	7.4
173.13324	3.1
175.07396	3.1
182.74094	3.0
183.11682	4.4
185.09683	5.5
187.11237	3.7
187.14891	5.7
189.11197	11.2
193.12221	4.0
197.13351	3.5
211.11227	3.9
215.14336	9.7
233.15359	28.7
243.17293	4.3
253.15884	11.7
271.16946	35.4
287.13327	3.2
289.17978	100.0
307.09656	7.2
307.18796	15.6
307.22345	3.7
313.89777	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	2.6
56.19527	0.4
58.06606	5.4
61.01163	0.6
69.50241	0.4
70.06595	1.9
71.33893	0.9
72.08157	1.4
75.02695	0.4
84.04512	27.6
84.08147	100.0
85.02909	0.7
86.06066	7.4
86.09714	7.4
88.03989	3.4
97.35364	0.4
102.05541	0.4
110.07180	0.8
116.07130	0.4
130.06534	5.6
130.08667	1.8
132.04486	1.7
132.08049	0.4
139.93352	0.4
140.03458	0.7
141.13869	7.6
141.14848	0.7
144.10133	1.0
146.06036	0.6
147.04482	1.0
147.06209	0.4
157.07605	5.7
158.06009	4.7
159.09212	1.1
163.03922	0.8
169.13380	11.4
175.08673	1.2
185.07210	0.4
198.11212	0.9
203.08162	1.5
215.13924	44.1
217.32246	0.5
227.08258	0.5
240.84863	0.4
243.17058	52.9
245.09242	1.0
261.08664	0.7
261.16241	0.5
262.11139	3.4
271.07281	1.3
289.08051	1.0
298.09888	0.4
307.16849	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	307.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12466	0.9
53.08737	0.7
55.05504	1.3
56.05020	1.7
68.99808	0.8
69.03416	1.9
69.60797	3.9
70.02946	3.8
70.06599	10.2
72.08165	7.6
74.06073	2.7
81.84138	0.8
84.04498	2.0
84.08151	7.3
85.02888	2.9
86.09722	3.8
87.00837	2.7
88.04002	1.5
91.05481	1.8
94.06560	2.7
97.02894	1.0
98.20860	1.5
98.97591	2.0
105.07007	0.8
110.07165	2.0
115.05477	1.4
116.07028	0.7
117.03382	1.0
117.05743	1.1
118.06599	1.4
119.04969	5.0
120.08087	2.5
127.03859	1.4
128.03438	1.1
128.04959	0.9
129.10222	1.8
130.06534	82.9
132.04462	22.4
132.08092	6.9
135.04381	1.2
142.06583	1.7
144.10210	1.5
145.02853	1.3
146.06026	32.4
147.04424	19.4
147.06281	1.8
157.07623	100.0
158.06023	72.9
158.07382	1.7
158.08192	1.7
159.09177	16.9
160.07620	2.1
161.12875	3.5
163.03911	4.7
168.45740	0.7
169.07639	1.2
173.07115	2.4
174.05495	4.4
175.08690	30.2
177.05402	0.9
184.07611	3.0
185.07104	10.7
186.05415	0.9
186.21700	0.7
188.07068	1.4
189.07385	2.8
197.07079	3.5
199.08679	1.9
200.07144	1.7
201.06577	4.7
201.10274	2.9
203.08185	33.2
205.09645	1.3
206.10088	1.6
217.09647	1.0
218.11845	0.9
218.99774	1.3
221.09402	1.9
225.06596	3.7
226.56581	1.4
227.08162	11.9
237.00731	1.8
243.07686	11.2
245.09227	20.3
247.07170	1.6
258.56705	0.8
261.08728	22.2
263.05005	1.2
271.07156	18.5
289.08224	24.0
289.11520	1.2
293.73990	0.7
307.09329	3.7
307.13217	1.2
307.16599	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	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
56.05016	1.3
60.04508	1.6
60.05645	1.7
61.02917	2.1
68.98243	1.2
69.03417	2.7
69.62131	6.8
70.06573	3.4
70.99847	1.9
72.08147	2.0
76.02238	1.3
82.99850	5.0
84.04505	13.4
84.08147	3.0
85.02903	3.0
86.06102	1.2
86.09724	1.2
94.92992	1.4
96.04496	1.1
97.01408	1.8
97.02882	1.3
101.00883	47.1
102.01034	1.3
103.00602	1.1
103.02442	3.7
110.07180	2.3
113.00879	9.4
114.05490	1.9
115.02428	14.4
117.04050	2.6
118.08684	1.8
119.01925	100.0
121.01652	2.9
121.03491	1.3
126.98717	1.4
127.02385	2.2
127.03875	2.9
129.03955	6.4
130.05046	6.7
130.06535	12.0
131.01901	21.3
132.04468	1.4
133.03476	24.0
135.05051	1.4
137.02960	15.3
139.02415	1.9
143.01897	18.8
144.99782	3.9
145.01619	1.5
145.03474	13.5
147.01372	3.7
147.05070	5.2
149.02927	3.6
151.04492	6.0
155.01901	5.0
156.07661	1.2
157.03465	8.9
157.07602	15.2
158.06024	11.2
159.01378	3.3
159.04950	1.8
159.09145	2.3
161.02963	28.6
163.02675	1.8
163.04509	1.9
167.01842	2.0
168.99832	13.7
171.01320	2.6
172.99344	1.5
173.01569	1.9
173.02959	14.5
173.06709	1.6
175.03049	1.0
175.04509	6.6
175.08676	4.5
175.11971	1.3
177.02371	11.1
185.02818	8.5
185.07101	2.5
187.00893	29.2
187.02596	2.3
187.04527	3.3
188.08052	1.5
189.02411	4.9
189.06114	1.3
191.03981	5.3
196.99292	9.4
197.02872	2.3
199.00841	2.5
199.04466	1.9
201.02460	2.7
201.06073	13.1
202.89082	9.7
203.03984	7.7
203.08141	4.0
205.01930	16.0
205.03731	1.9
205.05443	2.3
215.00366	40.1
216.90527	1.2
217.02048	3.7
217.05580	2.4
219.03503	9.5
221.05048	7.7
223.02977	2.0
227.04033	1.9
227.08186	1.8
229.01929	21.8
231.04091	1.6
233.01349	4.3
235.02980	3.2
235.06560	8.4
245.05072	5.1
245.09148	3.7
247.02997	71.8
253.03957	1.4
253.07623	5.6
261.08716	3.1
265.04010	13.6
270.04584	2.5
271.07251	2.8
277.07590	2.5
283.05151	1.4
289.04031	14.9
289.07953	3.1
307.04993	11.9
307.09793	15.6
307.16138	4.1
308.08981	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	100.0
59.99113	11.0
67.05495	1.1
69.07068	0.8
69.24254	6.0
73.46169	0.6
79.05502	1.1
79.47964	0.6
81.07087	0.8
85.07673	1.3
86.06069	18.9
102.03778	2.8
102.99677	0.7
103.90743	0.6
106.06552	64.8
109.10188	0.7
113.81658	0.6
116.05316	44.8
120.38853	0.6
137.05983	12.2
137.06940	0.8
142.12361	0.7
145.04298	11.6
201.10564	75.2
208.05370	5.2
250.10077	4.1
306.16342	10.9
306.20264	1.1
306.27917	3.0
310.44211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18339	0.3
55.78623	0.3
58.02970	0.4
64.61444	0.2
66.04723	0.4
67.05479	0.4
69.07082	1.6
70.68022	0.7
79.05487	1.0
81.07063	0.7
83.08600	0.3
90.71959	0.3
91.05489	0.5
93.07066	0.4
94.04192	1.6
97.06525	0.5
101.23044	0.3
105.07038	0.4
107.04969	0.4
107.08596	0.3
109.06541	0.3
109.10162	0.6
114.09166	0.4
116.42944	0.2
122.03660	6.6
124.33005	0.3
126.09169	0.5
133.10165	0.8
135.11732	0.9
137.05988	100.0
151.11223	0.5
153.12793	1.1
170.15456	1.4
182.15468	2.0
225.48656	0.2
227.47775	0.3
306.20694	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
56.05038	3.3
57.07075	3.4
58.06601	5.5
60.04516	1.7
65.65958	0.4
68.05030	0.6
70.06593	1.0
71.08629	0.8
71.52020	0.4
72.08154	1.7
73.72697	0.4
74.06084	3.3
85.10191	0.8
86.06075	3.7
88.07634	26.3
100.07619	0.9
104.07122	3.1
118.08662	1.1
132.10211	6.9
137.05981	1.4
162.11273	1.6
166.10770	2.6
182.19034	0.4
186.09645	0.4
193.04790	0.3
200.20024	0.5
206.66710	0.4
214.21664	31.0
226.21603	0.8
258.24304	10.4
258.27094	0.5
288.25369	0.8
306.26389	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05035	0.3
57.07076	4.9
58.06599	2.2
67.05504	0.2
68.05022	0.3
69.07042	0.6
69.48741	1.5
70.06593	18.1
71.08633	2.9
72.08156	1.6
84.08138	2.3
86.09708	2.6
88.07108	0.5
88.07632	8.9
89.06022	0.4
90.46512	0.2
91.72478	0.2
96.13711	0.2
96.56763	0.2
102.09180	5.1
114.09158	0.5
132.09225	0.4
132.10207	7.6
146.11765	7.1
156.17488	2.6
177.05548	0.3
182.19096	0.8
184.20665	0.2
184.46294	0.2
200.20097	21.3
244.22726	35.1
255.41881	0.2
279.18906	0.2
288.25296	1.6
306.26376	100.0
307.26602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01871	0.5
55.05513	5.9
56.05026	0.2
57.07074	0.9
65.03926	0.4
67.05508	7.9
69.03410	0.1
69.07070	7.0
70.06580	0.2
70.63671	0.2
71.08601	0.3
72.04508	0.3
73.06577	0.1
79.05485	1.7
79.67872	0.1
80.05029	0.2
81.07059	7.0
82.06566	0.4
83.04958	0.2
83.08157	0.2
83.08624	2.4
84.04512	0.1
84.08140	0.2
85.04818	0.2
85.05283	2.1
85.06489	0.1
86.06071	1.0
91.05479	0.8
93.07043	1.6
95.04958	0.2
95.08607	4.7
96.08136	0.5
96.17115	0.1
97.06526	0.2
97.10167	0.9
98.06057	13.1
98.09684	0.2
99.06843	0.3
105.07018	0.7
107.08595	0.8
108.08099	0.2
109.10168	1.5
110.09678	0.5
111.06882	0.1
111.11649	0.2
112.07600	1.8
119.08577	0.4
121.10148	0.5
122.03609	0.3
122.09653	0.2
123.11692	0.4
124.07568	0.3
124.11214	0.3
125.08352	0.1
126.09158	0.7
126.12852	0.1
133.10126	0.3
135.11678	0.3
137.05981	3.7
138.09128	0.4
139.09995	0.1
140.10706	0.6
147.11676	0.2
149.13196	0.1
152.10696	0.4
154.12256	0.7
156.14148	0.1
157.06479	0.1
166.12238	0.3
168.13849	0.4
180.13753	0.2
182.15387	0.5
194.15392	0.4
196.16927	0.7
208.16960	0.9
210.18532	0.3
222.18495	0.6
222.22052	0.1
224.20062	0.2
236.20160	0.5
250.21678	0.2
264.23151	0.1
306.27905	100.0
307.28177	0.6
307.31247	0.1
311.69562	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	305.1356
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
56.05022	0.6
56.96560	2.0
58.06585	0.8
60.04523	1.0
60.95848	1.2
69.03438	0.7
70.06595	3.7
71.50777	1.2
74.06036	0.7
75.29955	0.7
76.93005	0.7
84.04505	0.7
84.08144	4.6
85.02866	0.9
86.06059	2.3
86.09706	9.5
87.10043	0.8
91.05476	5.5
97.02911	1.2
98.97593	1.0
101.00878	1.9
110.03513	3.5
110.07159	1.6
114.05537	3.0
116.07114	0.8
118.08675	1.2
119.01902	2.1
119.04950	5.1
125.02350	0.9
129.10246	2.4
131.01923	0.8
131.63197	0.7
132.10237	0.7
134.06027	7.9
135.03027	4.1
136.06198	0.6
137.05988	43.9
140.77045	0.7
142.08693	0.7
143.01921	2.4
143.03410	1.3
144.06909	1.2
146.08354	0.8
152.05684	100.0
153.04117	4.4
154.08635	16.6
155.01831	1.2
157.03485	1.0
161.02968	2.0
162.07950	1.6
172.08266	1.2
173.02979	1.5
173.12794	1.2
174.04013	1.4
174.07967	3.5
175.04587	1.0
185.02937	1.7
186.07712	4.0
192.03589	1.6
192.05132	3.0
197.02924	0.9
203.04057	2.3
210.04668	2.7
210.06331	8.9
241.15907	0.9
245.05051	3.4
253.08574	0.9
259.17084	0.8
263.03003	1.2
263.06052	1.2
266.10910	1.0
271.09726	1.5
277.14072	1.5
277.17941	1.3
287.12943	3.1
287.16196	3.9
288.12201	2.0
305.08179	0.8
305.13605	8.6
305.17618	16.2
313.64438	1.4
314.16064	1.6
323.14407	8.4
323.18625	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87522	0.4
53.03953	1.0
55.05507	1.3
56.05041	1.1
56.78078	0.4
56.96565	1.2
57.03447	0.5
57.07062	0.4
58.06599	0.6
60.04533	0.8
65.03967	0.4
67.05514	2.4
67.05800	0.4
69.03451	0.6
69.07084	1.0
70.02967	0.4
70.06595	8.3
71.05000	1.0
71.06947	0.5
71.51570	0.7
72.08157	1.9
77.03942	0.5
79.05492	2.1
79.93478	0.4
81.03405	0.4
81.07072	3.2
83.08639	0.5
84.04498	1.0
84.08142	5.8
85.02897	0.9
85.06515	0.5
86.06103	0.6
86.09707	4.4
87.04440	0.6
91.05484	4.0
93.05769	0.8
93.07061	4.0
94.06581	0.7
95.04971	1.8
95.08591	1.7
96.08125	1.1
97.02886	1.1
97.06538	0.5
98.97589	2.5
102.05569	0.6
103.05459	0.4
104.05339	0.6
105.07004	1.5
107.04980	0.9
107.08582	1.7
108.04464	0.5
108.08121	1.8
109.06536	0.5
109.10168	1.3
110.07160	1.1
111.08105	0.6
112.07597	0.5
114.05544	1.5
115.03892	0.5
116.07088	0.8
116.98591	0.6
119.04925	0.5
119.08594	1.0
120.08145	0.9
121.10143	0.9
122.06034	2.5
123.11709	0.4
124.07593	9.4
126.05511	1.5
129.10229	2.4
130.06514	1.0
132.10155	0.8
135.08078	0.6
136.07582	100.0
137.05980	1.5
138.09137	0.6
140.07072	1.4
145.10091	1.0
146.06041	0.8
147.04373	0.5
147.11673	0.5
149.09532	0.5
150.05522	0.8
152.07071	20.0
158.06038	1.8
158.99522	0.6
164.07071	78.6
170.08163	4.3
173.01347	0.7
173.07095	0.6
174.05591	0.5
177.00664	0.4
182.08139	16.3
186.07619	2.0
210.02037	0.5
234.06706	0.5
275.07513	0.8
277.08151	0.5
287.14072	6.1
288.12259	0.7
305.08203	0.5
305.14709	2.9
305.24701	0.9
324.53860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1344
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01867	1.4
56.05040	8.8
56.96556	2.0
57.03427	2.8
58.06601	4.3
60.04506	1.3
61.02915	2.8
68.05019	3.7
69.03432	4.1
69.07070	1.5
70.02958	0.9
70.06594	31.1
71.01305	0.8
71.04968	1.0
71.06926	1.2
71.51409	1.0
72.08178	4.2
73.02902	2.8
74.06056	1.5
75.05590	1.6
77.31239	0.7
79.05492	1.1
81.03407	2.5
82.06625	0.8
82.49586	0.8
84.04494	3.3
84.08146	13.9
85.02914	12.1
86.06071	27.2
86.09716	7.8
87.04467	0.8
87.10016	4.1
88.03995	6.5
91.05479	1.9
96.04481	0.9
97.02919	5.4
98.06049	1.1
98.97579	5.7
99.04465	1.2
100.07600	1.4
101.00860	1.9
102.05552	4.6
103.03947	5.1
104.07034	1.2
107.04955	1.7
109.02875	1.3
110.07178	4.6
111.07503	1.6
112.07604	4.6
113.03508	0.8
113.07133	1.6
114.05534	85.5
114.09165	4.3
115.05882	1.0
116.07078	3.1
116.98624	1.5
118.08642	3.6
119.01909	2.6
119.04955	1.0
120.08115	1.8
123.04463	0.7
124.07542	1.1
127.03871	2.4
128.07072	2.9
128.98604	1.0
129.10248	7.4
130.05009	6.3
130.08630	1.9
130.10669	1.0
131.01913	1.8
132.06581	2.5
135.04379	1.1
135.91736	0.8
136.06175	3.2
136.07617	1.7
137.05911	4.6
140.07057	4.6
142.05011	1.0
142.08635	29.1
143.01891	3.3
143.03374	2.5
143.11789	4.4
144.12122	3.4
145.05003	1.5
146.08153	8.4
147.04366	1.0
149.05978	1.1
155.01825	2.2
157.03471	1.0
158.04478	1.7
158.05991	2.2
158.08142	13.0
158.99687	1.4
160.09677	6.7
161.02946	4.1
167.07018	5.2
168.06581	2.8
169.09724	6.9
171.11337	2.0
173.02995	1.9
173.07005	1.0
177.00665	0.9
177.05479	1.9
179.07094	1.1
181.03113	1.3
185.02933	2.5
185.09259	2.2
186.07622	100.0
197.02974	1.0
197.09253	5.0
197.12733	0.9
199.04538	1.0
203.03943	3.2
204.08662	10.9
206.04369	1.2
211.04539	0.9
215.04988	2.0
215.10220	1.9
224.06152	1.6
227.09048	1.1
241.11885	6.5
245.05000	3.6
249.06203	2.0
257.13483	1.4
259.12943	1.4
263.06116	0.8
267.07144	3.1
269.11099	1.1
269.13629	1.2
287.12350	66.5
288.05618	1.1
288.12378	1.2
302.61331	1.0
305.13412	32.3
305.16092	2.4
327.09363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1657
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
53.03946	1.0
55.01871	0.9
55.05518	13.2
56.05041	1.1
57.05826	1.5
67.24169	0.7
70.06592	4.4
72.08157	100.0
81.07081	1.0
83.63428	0.7
84.08134	3.9
85.02895	0.8
86.06071	6.3
86.09715	5.4
91.05466	3.7
98.06051	3.7
98.20788	2.5
98.97607	2.8
99.09228	1.2
115.05503	1.6
116.07078	4.3
117.05782	1.1
117.07028	1.2
118.06540	5.6
119.04932	1.1
120.08080	4.4
123.04440	8.1
127.08659	5.4
129.10294	0.8
130.05061	1.0
130.06523	14.5
132.08101	32.2
137.05978	6.0
142.06534	5.4
143.07310	0.9
144.08092	27.6
144.12238	0.7
146.06015	28.0
151.03880	1.0
158.99658	1.1
159.09180	60.1
160.07646	2.7
169.77364	0.8
170.06010	13.3
170.07330	1.1
188.07071	62.4
200.04408	1.8
201.05463	1.0
205.09737	51.6
214.06761	1.3
232.14391	1.1
241.13396	1.0
254.10905	1.7
258.16061	1.3
259.09760	1.1
259.14526	2.2
286.13519	1.6
287.09085	9.5
287.13910	36.1
304.05307	5.8
304.08804	0.9
304.11777	3.4
304.16586	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01875	2.6
55.05497	1.0
56.05037	2.1
56.96564	2.3
58.99589	1.8
60.04514	4.1
64.56698	1.3
65.03930	2.1
67.05501	1.7
69.81639	4.7
70.06599	9.5
71.01339	3.5
71.04993	3.1
72.08160	9.9
72.79014	1.0
73.08475	3.9
74.06096	5.2
75.30767	1.2
79.05486	3.5
84.04488	3.2
84.08134	7.4
85.02901	3.1
86.06065	1.6
86.09719	7.2
87.05585	1.8
87.10044	3.2
88.03992	1.3
89.02399	9.8
91.05489	15.1
95.04955	3.1
97.01108	2.8
97.02891	1.4
98.97583	3.9
99.02676	4.8
100.07586	1.8
102.05552	1.8
105.07035	1.5
105.13428	1.1
107.04974	16.6
109.01093	6.1
110.07165	3.0
111.02686	2.3
112.07606	1.0
113.05994	1.1
114.05533	6.3
114.09164	1.5
116.07091	2.7
119.04950	12.7
120.05716	5.6
120.08124	3.1
121.01112	1.4
121.02883	2.0
121.06551	2.1
123.04427	6.0
125.00578	3.7
125.04176	1.9
127.02148	17.4
129.10233	2.3
130.05042	1.2
132.10219	2.6
133.06459	1.3
133.10497	2.8
135.02791	5.5
135.04420	25.4
136.05185	1.9
136.07574	1.9
136.20500	1.1
137.00566	4.3
137.05986	26.3
139.02124	6.3
142.08632	2.2
145.09726	4.1
146.10075	2.3
147.04434	8.2
148.05202	6.7
149.00635	7.3
150.06776	3.4
151.02132	4.3
151.03918	15.4
152.04665	5.0
153.03687	10.0
153.05502	1.7
155.01630	31.4
158.99709	2.4
159.11337	7.6
160.11647	6.5
161.06027	1.7
163.02086	2.8
165.05557	1.5
166.00821	3.2
166.06268	100.0
167.01643	26.4
168.07849	11.5
169.03168	2.6
172.94418	2.0
173.09248	3.7
174.09564	2.1
181.03197	61.2
182.03937	4.6
182.99498	2.4
183.01131	50.4
184.01953	2.5
185.02710	1.2
186.07683	8.2
187.10802	2.9
188.11125	2.7
190.95332	1.3
197.02530	1.8
198.03516	7.0
199.04259	39.4
207.04739	1.2
215.03737	52.5
215.05807	2.8
217.05231	1.7
218.55196	1.2
219.01909	1.4
232.96461	1.9
251.03836	2.1
259.06461	1.8
287.05887	2.2
287.12317	5.4
305.06897	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	304.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12323	1.7
55.05477	2.8
59.40189	1.8
61.02913	2.0
70.06582	7.5
70.16051	1.6
71.50802	2.5
72.08164	20.5
77.81898	1.7
84.04523	3.3
84.08099	3.4
84.27183	1.6
85.02940	1.8
86.09698	6.4
97.02914	1.8
101.00869	2.0
114.76992	1.7
116.07110	3.2
118.08653	12.5
129.10245	2.9
132.40385	1.9
143.01923	2.8
143.11801	4.2
156.04225	5.6
161.02988	3.4
168.20152	2.0
171.14955	3.0
173.03075	1.7
177.72099	1.8
178.07550	2.8
182.86090	1.7
184.04546	5.3
185.09296	2.3
199.14197	1.9
202.05611	2.4
203.04001	2.1
240.29762	1.7
263.06061	2.8
269.89597	1.8
286.14044	2.9
304.07959	100.0
304.16116	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	304.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75594	2.5
56.05022	3.0
56.65998	2.7
56.96566	3.7
60.08541	2.6
70.06598	16.3
72.08159	38.5
76.14600	2.8
84.04490	5.5
84.08149	6.4
86.06036	4.4
86.09705	30.1
87.10046	4.2
90.24535	3.0
104.05350	14.8
116.07073	10.7
129.10355	3.4
137.05992	8.6
140.07120	6.4
141.07382	3.6
145.08896	3.1
151.05751	4.2
152.05692	13.8
164.07092	4.2
171.14937	8.7
172.08205	7.5
173.08307	14.4
199.14467	8.0
208.10086	3.3
209.04869	5.2
232.10533	4.5
258.12012	3.7
263.94336	3.5
286.16721	8.5
304.07925	100.0
304.12473	33.0
304.17899	43.6
313.14459	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	304.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01874	1.2
55.05511	1.1
55.53593	0.7
56.05043	1.3
56.96571	0.9
60.04530	2.6
65.03950	0.9
67.05500	2.4
68.99796	8.7
69.03419	2.1
69.07072	1.4
69.79594	4.2
70.06596	10.1
71.04996	0.7
72.08161	6.9
79.05510	1.7
81.03416	1.0
84.04510	2.2
84.08141	4.3
85.02888	1.3
86.06073	1.1
86.09705	12.8
87.05592	1.3
88.03966	1.1
91.04920	0.9
91.05484	17.9
93.07042	0.8
95.04958	5.3
95.08627	1.1
97.02887	1.1
98.97559	1.6
102.05527	1.0
105.07058	1.1
107.04950	1.2
109.06519	1.5
109.10224	0.6
110.07143	3.4
112.08732	0.9
114.05524	1.0
116.07105	1.0
119.04945	12.2
120.08117	5.7
121.02846	1.0
123.04432	100.0
128.10736	0.9
129.10225	2.5
133.01868	1.1
133.02847	9.9
133.06491	0.8
135.04404	0.9
136.06200	0.7
136.07614	1.5
137.05983	89.2
138.06317	2.1
140.07094	0.8
143.11784	1.2
145.06502	1.2
147.04417	1.3
149.05971	1.3
151.03909	8.9
154.13350	0.9
158.99603	0.7
164.07085	1.3
167.07031	1.5
168.07416	2.9
172.04298	3.0
173.04631	2.8
173.12860	8.1
177.10368	0.9
182.08116	1.4
184.05719	0.8
185.09222	1.2
187.07483	1.7
198.07744	1.0
200.08382	1.3
201.05400	0.9
201.12366	2.0
211.07613	1.1
213.09039	0.9
216.08879	1.4
219.01697	0.8
229.08766	0.9
242.26294	0.7
254.10858	1.1
257.08109	2.8
258.09595	0.9
259.09656	1.5
262.09470	1.5
280.57129	0.7
286.13635	1.0
287.09122	100.0
288.09436	0.8
304.05334	8.9
304.11581	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	5,8,2'-Trihydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01870	2.9
56.96548	1.6
57.03437	1.2
67.05507	2.3
68.99790	2.0
69.03422	2.6
70.06584	2.2
70.48228	3.7
70.48584	1.4
70.79719	1.3
79.05488	6.2
81.03389	2.0
81.07052	4.3
83.04958	1.6
83.08639	1.3
84.04526	2.7
85.02911	2.6
91.05485	39.4
93.03437	1.5
93.07053	5.4
94.04165	1.6
95.04973	11.5
95.08607	3.7
97.02908	4.3
97.06455	1.2
98.97611	1.7
99.04449	3.0
103.05474	21.9
105.04560	1.4
105.07038	3.5
107.04955	20.5
107.08604	4.6
109.10172	2.8
111.04445	3.3
112.01556	1.3
117.07033	1.5
118.04185	2.3
118.72985	1.2
119.04941	29.9
119.08585	2.4
121.02866	4.4
121.06490	6.3
121.10144	2.2
122.03648	3.7
123.04432	14.2
125.02366	2.9
127.03934	3.1
131.04955	8.7
131.08586	2.1
133.06436	1.9
133.10173	1.9
135.04414	2.0
135.11664	2.0
136.56926	1.3
137.05986	48.6
141.01855	3.4
141.05469	3.2
141.06993	4.5
142.02647	1.7
145.06491	3.9
145.10139	1.8
147.04402	22.5
149.02374	15.3
149.05992	4.8
150.05560	2.6
151.03937	1.4
151.07532	12.6
153.01927	2.1
153.05478	6.4
153.06981	8.1
154.07750	1.7
155.08545	5.4
157.04976	12.8
157.98026	1.4
159.11754	1.4
163.07530	6.5
165.01860	2.1
165.07013	17.6
167.07013	2.2
168.00542	10.9
168.05739	5.6
169.06483	4.8
170.02118	1.9
171.04457	1.7
173.05992	3.1
177.09142	2.0
179.03349	1.6
181.04947	6.7
181.06517	6.1
181.08548	1.5
182.07307	3.6
183.02902	35.1
183.04489	3.2
183.08052	16.9
185.04475	2.8
185.05983	2.9
186.01651	4.5
186.20241	1.4
193.06433	2.6
194.02203	3.0
196.05214	4.4
197.06009	5.8
201.05505	2.1
201.09206	1.6
207.04456	3.6
209.04408	9.8
211.07512	18.8
213.05463	4.2
213.09216	1.4
215.07121	1.9
215.10770	4.7
221.06004	1.8
225.05540	10.1
225.09138	2.3
227.07097	2.1
229.08545	2.5
239.07091	4.9
241.05000	2.3
242.05734	2.5
243.10214	16.8
245.08136	3.6
247.09631	1.4
253.04919	3.5
257.08102	2.9
269.04480	30.5
270.05246	38.2
271.09628	22.5
272.10449	2.9
275.09186	3.5
285.07574	80.7
286.10852	3.9
288.05334	1.7
288.09976	2.5
303.05173	6.8
303.08661	100.0
303.12311	16.2
303.19879	1.7
303.23257	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	5,8,2'-Trihydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
51.71898	0.3
53.03814	0.7
53.04084	1.0
54.25317	0.3
55.01738	0.7
55.02009	0.6
65.03795	0.8
65.04121	0.6
68.99628	1.2
69.00024	0.7
69.03278	0.6
69.03672	0.6
69.06942	0.3
69.68796	1.7
79.05334	1.0
81.03275	0.5
81.06931	0.7
85.02718	0.3
91.05288	9.7
91.05927	2.2
93.06902	0.9
93.07400	0.4
95.01141	1.1
95.04775	8.7
95.05452	1.7
95.08480	0.5
97.02700	8.2
97.03393	1.6
99.00681	0.5
99.04263	0.4
103.05270	6.3
103.06031	1.0
103.95253	0.3
105.04368	0.7
105.06898	0.7
105.63714	0.3
107.04765	11.0
107.05569	1.5
107.08479	0.5
107.09122	0.3
109.02737	0.6
109.09992	0.5
111.04234	1.6
113.02280	0.3
115.05311	0.7
117.06851	0.4
118.03957	1.5
119.04739	9.6
119.05663	1.1
120.05524	1.3
121.02657	4.4
121.06309	2.0
121.10013	0.6
122.03503	0.4
123.00664	0.5
123.04227	12.2
123.05198	1.3
125.02150	6.9
125.05836	0.4
127.03756	0.7
128.06062	0.4
129.06897	0.8
131.04720	3.6
132.05547	0.4
133.02721	0.6
133.06348	0.4
137.05777	5.7
138.02919	0.9
139.03685	1.0
140.00914	0.5
141.01686	0.6
141.06786	1.8
142.02489	0.5
143.03210	1.2
144.05563	0.7
145.06314	1.1
145.09946	0.6
147.04210	7.7
147.07843	0.6
147.11453	0.5
149.02341	14.4
149.03461	0.8
149.05742	1.0
150.02966	0.4
151.07512	2.0
152.06042	0.4
153.05267	3.1
153.06781	1.8
155.03210	2.0
155.04694	0.7
155.08385	1.0
156.04021	0.7
157.04974	18.4
157.06235	2.0
159.04263	0.7
159.07944	0.4
161.05746	0.3
163.07359	1.2
165.01631	0.6
165.06973	3.4
166.02460	1.1
167.03247	0.6
167.06816	0.4
168.00551	6.7
168.01869	0.3
168.05733	2.2
169.01201	0.8
169.04794	1.1
169.06340	2.7
170.01932	1.3
171.04195	1.2
172.05084	0.7
173.06030	2.1
175.07352	1.0
177.08905	0.5
179.03148	0.9
179.04692	0.6
181.04982	9.1
181.06421	1.3
182.07155	0.7
183.02898	12.8
183.04417	0.7
183.08073	3.3
185.04300	1.7
185.05869	1.5
186.01590	3.1
186.06624	0.7
187.07428	0.9
193.07637	0.5
194.00626	0.4
194.02089	4.4
195.02795	0.5
196.05081	1.3
197.04384	0.6
197.05983	4.0
198.06621	0.5
201.03818	0.3
201.05429	2.6
201.08971	0.5
207.04309	0.9
209.04451	10.7
210.06735	0.4
211.07553	4.4
213.05542	1.7
214.06288	0.6
215.07129	2.5
215.10565	1.0
221.05936	0.5
224.04631	0.4
225.05481	7.4
225.08945	0.5
228.07759	0.3
229.05006	0.5
229.08461	1.6
239.07059	1.5
241.04860	0.7
242.05771	3.4
243.06570	1.6
243.10191	3.4
251.54640	0.3
253.05011	4.6
253.07492	0.5
253.08595	0.3
257.08093	1.9
257.22583	0.4
260.06610	0.4
269.04446	30.5
270.05234	35.4
271.09689	4.2
272.10416	0.6
275.09171	4.1
285.07571	52.2
286.10809	0.6
288.05206	2.2
288.10040	0.5
303.08640	100.0
303.23019	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0863
Annotation	5,8,2'-Trihydroxy-7-methoxyflavanone
Peak:m/z	Relative Intensity
53.03946	1.4
55.01863	1.0
55.05527	1.3
71.52001	1.0
72.64716	1.0
79.05502	1.8
81.07072	2.6
91.05483	12.3
93.07056	2.6
94.87403	1.0
95.04977	9.3
95.08615	1.4
97.02907	7.7
103.05482	7.4
103.38281	1.0
105.07031	2.1
107.04974	9.9
107.08607	2.2
111.04437	1.3
115.05523	1.5
117.66608	1.1
118.04142	1.9
119.04967	9.6
120.05781	1.3
120.08122	1.1
121.02895	4.8
121.06529	3.1
121.10109	1.4
123.04440	12.4
125.02377	4.6
127.03937	1.7
131.01044	1.0
131.04935	4.6
137.05981	15.1
138.03130	1.2
139.03969	1.6
141.07056	1.9
145.06537	1.2
145.10159	1.5
147.04460	4.1
147.11787	1.2
149.02339	12.0
149.05989	2.5
151.07574	4.0
153.05476	3.6
153.07030	3.8
155.03423	1.5
155.08517	2.5
157.04982	15.2
163.07561	2.7
164.07039	1.3
165.06998	6.9
166.02667	1.5
167.07066	1.2
168.00510	9.0
168.05733	2.7
169.06456	1.9
173.05962	2.1
179.08537	1.4
181.04987	7.2
181.06438	2.2
183.02901	24.4
183.08061	8.1
185.04431	1.5
185.05989	2.6
186.01639	4.0
193.06537	1.9
194.02110	3.0
195.02852	1.2
196.05261	1.4
197.04424	1.4
197.06039	4.8
200.08331	1.6
201.05554	1.5
207.04443	3.0
209.04472	9.8
211.07542	10.6
213.05450	1.1
215.07077	2.1
225.05559	5.3
225.09013	1.5
239.07043	3.6
242.05908	2.7
243.10213	4.5
253.05043	2.8
257.08127	2.1
269.04456	26.7
270.05286	26.6
270.08203	0.7
271.09732	12.1
275.09189	3.1
285.07596	45.3
288.05167	1.9
303.05301	3.9
303.08664	100.0
303.12250	9.1
303.23065	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03924	0.3
54.57957	0.2
55.01865	0.8
55.05500	0.7
56.96550	0.3
61.17361	0.2
65.03936	1.1
67.01847	0.2
67.05509	1.4
68.99788	1.7
69.03423	0.4
69.07057	0.8
70.06580	0.5
70.66316	0.6
71.01315	0.3
71.04981	0.5
78.10362	0.2
79.05492	0.9
81.03412	0.7
81.07058	1.8
83.04990	0.5
83.08630	0.4
83.13786	0.2
84.08095	0.3
86.09681	0.7
91.05479	2.8
92.04980	0.4
93.03412	0.6
93.07027	0.9
93.97706	0.2
94.04153	0.3
94.06533	0.3
95.04989	1.5
95.08616	1.0
97.02872	0.5
97.06528	0.5
98.97568	0.5
99.04475	0.5
103.05480	1.7
105.03395	0.4
105.07043	1.7
106.06458	0.2
107.04969	0.7
107.08584	1.0
109.02849	1.3
109.06502	0.5
109.10140	0.7
110.07120	0.3
111.00821	1.6
111.04425	0.7
111.08006	0.2
115.05465	0.6
116.98617	0.2
117.07014	0.7
119.04938	0.9
119.08582	1.1
120.08093	2.3
121.02873	2.0
121.06516	1.3
121.10144	0.7
122.03665	1.3
122.84035	0.2
123.04419	0.9
123.08060	0.3
125.05975	0.3
127.03886	0.6
128.06157	0.3
129.06970	0.7
129.10211	0.3
131.04933	1.9
131.08549	0.8
133.06499	0.3
133.10126	0.9
134.03595	0.4
135.04416	0.7
135.08035	0.4
135.11699	0.4
136.05148	0.2
137.02344	7.2
137.03401	0.5
137.05980	14.0
137.09608	0.3
138.05511	2.3
138.09160	1.4
141.06984	0.6
143.04965	0.3
143.08545	0.5
145.02844	0.4
145.06488	0.9
145.10097	0.8
147.04404	0.7
147.08104	0.3
147.11694	1.0
149.02284	0.7
149.05966	1.3
150.05461	0.5
151.03885	0.5
151.07545	3.0
152.06171	0.3
153.01833	8.8
153.05469	1.4
153.06992	2.0
154.07761	0.3
155.04887	1.0
155.07315	0.3
155.08548	1.9
157.06485	0.5
157.10168	0.6
159.04483	0.3
159.11705	0.6
161.05978	0.9
161.09415	0.2
163.03922	1.2
163.07594	1.4
165.01831	3.3
165.05562	0.4
165.06981	4.2
166.02702	0.5
166.04993	4.1
167.07086	0.7
167.08560	0.3
168.05721	1.4
169.06410	0.5
171.04419	0.6
171.11696	0.3
173.06023	1.3
173.13350	0.3
175.07468	0.3
175.11072	0.2
175.14752	0.4
177.05484	0.6
177.09099	0.3
179.03378	0.5
179.07100	0.3
181.06477	1.2
182.07204	0.7
183.02878	2.2
183.04472	0.8
183.08052	5.0
185.06029	0.6
187.03955	0.7
187.14807	0.4
191.03395	0.4
193.06502	0.9
195.02898	0.3
196.05209	0.8
197.05899	0.5
199.07631	0.5
199.14853	0.5
201.05478	4.1
205.04892	0.5
207.04408	0.8
210.06633	0.5
211.04134	0.4
211.07549	4.9
212.08272	0.6
212.10782	0.5
213.05472	0.9
214.12279	0.5
215.10588	1.0
215.14265	0.2
219.06561	0.7
221.05943	0.4
224.04755	0.2
225.05614	0.4
225.09081	0.9
227.06992	0.6
228.04239	0.4
228.07761	0.5
229.04951	9.1
229.08377	0.4
230.11768	0.3
232.13406	0.6
239.07054	1.6
239.11948	0.3
241.08560	0.3
242.11777	0.4
243.10159	3.8
245.08142	0.6
247.05986	1.1
257.04431	4.5
257.12830	1.4
260.12744	0.4
267.11386	0.3
267.21057	0.4
271.09644	6.2
272.11566	1.2
274.04739	1.4
274.09549	0.6
275.05356	0.4
275.13788	0.7
285.03915	2.5
285.12415	2.5
285.18686	0.3
285.22101	0.5
286.10660	1.1
288.09879	1.2
303.04987	100.0
303.13101	11.9
303.19492	1.0
303.22583	1.8
304.05334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.1
55.01869	0.3
55.05502	0.2
56.05038	0.1
65.03941	0.6
67.01873	0.3
67.05508	0.4
68.99789	2.1
69.03418	0.3
69.07056	0.1
70.06593	0.8
71.01341	0.1
71.52211	0.1
72.08155	0.4
73.08504	0.1
79.05480	0.2
81.03405	0.7
81.07048	0.2
83.04961	0.1
83.08616	0.1
84.04498	0.1
84.08130	0.4
85.02890	0.1
86.09699	0.7
87.10030	0.2
91.05495	0.5
93.03401	0.7
93.07029	0.2
94.06544	0.2
95.04972	0.9
95.08611	0.1
97.02917	0.1
98.97578	0.3
103.05462	0.3
105.03388	0.3
105.07014	0.1
106.30428	0.1
107.04951	0.4
107.08562	0.1
109.02876	1.1
109.06503	0.1
110.03647	0.1
110.07162	0.4
111.00801	1.7
111.04426	0.3
115.05458	0.2
116.98635	0.1
117.03378	0.1
117.06996	0.3
119.04938	0.3
120.08088	0.2
120.45600	0.1
121.02869	1.9
121.06491	0.2
121.10112	0.1
122.03632	0.3
122.06004	0.1
123.04421	0.7
126.03127	0.1
127.03937	0.5
128.06256	0.1
129.06927	0.2
129.10233	0.3
131.04929	0.5
131.08569	0.1
133.02826	0.2
133.06506	0.1
135.04416	0.6
136.07509	0.1
137.02347	6.9
137.03409	0.4
137.05971	2.8
137.07059	0.1
139.05350	0.1
141.06964	0.1
143.00290	0.1
143.04863	0.2
143.11790	0.2
144.05627	0.1
144.12105	0.1
145.02856	0.2
145.06477	0.7
146.11769	0.2
147.04404	0.1
147.12050	0.1
149.02332	0.9
149.05998	0.2
150.05507	0.6
151.03891	0.2
151.07471	0.3
153.01828	9.4
153.05487	0.2
153.07010	0.2
154.02179	0.1
155.04915	0.9
155.06041	0.1
155.08537	0.2
157.06488	0.2
158.11707	0.1
159.04385	0.2
160.05240	0.1
161.05975	0.7
162.05472	0.1
163.03908	1.4
163.07529	0.3
165.01839	3.9
165.06969	0.4
166.02629	0.5
167.03360	0.1
167.07071	0.1
168.05688	0.1
171.02907	0.1
171.04248	0.1
173.02422	0.1
173.05984	1.4
175.07588	0.1
177.01830	0.2
177.05435	0.2
179.03391	0.4
179.07068	0.1
181.06499	0.1
183.02879	1.6
183.04437	0.9
183.08060	0.5
184.05211	0.2
185.05959	0.1
187.03880	0.9
187.07512	0.1
189.05504	0.1
191.03467	0.3
191.07062	0.2
193.04924	0.1
195.02960	0.4
200.04720	0.1
200.08318	0.1
201.05466	3.8
203.03407	0.1
204.14290	0.1
205.04901	0.4
207.02852	0.2
207.04539	0.1
210.06712	0.1
211.04025	0.4
211.07571	0.6
213.05530	0.2
215.03381	0.2
215.10719	0.1
217.04936	0.1
219.03085	0.1
219.06560	0.6
225.09119	0.1
228.04195	0.6
229.04956	9.1
230.05447	0.1
232.03682	0.3
233.04462	0.1
234.02307	0.1
237.02774	0.1
239.03506	0.4
239.07080	0.2
243.02896	0.1
243.10211	0.3
245.04477	0.2
246.05280	0.1
247.06020	1.3
257.04449	4.8
257.08569	0.1
258.04892	0.1
261.03848	0.1
267.02835	0.1
271.09732	0.6
272.10397	0.1
274.04739	1.4
275.05429	0.4
285.03949	2.3
285.12207	0.1
286.04739	0.1
286.10574	0.4
288.09760	0.1
295.01459	0.1
303.04977	100.0
304.05325	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03963	0.1
55.01880	0.5
55.05492	0.4
56.05027	0.3
56.96562	0.2
57.03429	0.1
60.04520	0.3
64.08315	0.1
65.03936	0.5
67.01865	0.3
67.05497	0.5
68.99445	0.2
68.99792	1.8
69.03416	0.4
69.07058	0.5
70.02943	0.2
70.06593	2.7
70.74732	0.2
71.01361	0.1
71.06909	0.2
72.07813	0.1
72.08162	1.5
73.08478	0.1
74.06073	0.2
75.46255	0.1
79.05479	0.3
80.05011	0.2
81.03423	1.0
81.07040	0.2
81.16994	0.1
82.06580	0.2
83.06093	0.3
84.04514	0.8
84.08147	2.1
85.02893	0.4
86.06069	0.2
86.09708	3.4
87.04443	0.2
87.10032	0.9
88.03966	0.3
91.05486	0.7
93.03419	0.7
93.04499	0.2
93.07046	0.2
94.04189	0.1
94.06561	0.2
95.04965	0.9
95.06067	0.1
96.62718	0.1
97.02889	0.6
97.06531	0.2
98.06041	0.4
98.97572	0.3
102.05525	0.1
103.05449	0.3
105.03394	0.2
105.07037	0.2
105.64315	0.1
107.04939	0.4
109.02890	1.0
109.06517	0.1
110.06071	0.2
110.07171	2.1
111.00809	1.7
111.04457	0.2
112.07565	0.1
112.08718	0.3
115.03956	0.1
115.05468	0.1
115.08677	0.4
116.07095	0.4
117.06998	0.3
119.04943	0.5
120.04458	0.1
120.08118	0.9
121.02863	2.2
121.06488	0.3
122.03664	0.3
122.06024	0.6
123.04441	0.8
124.07596	0.3
127.03948	0.9
128.06204	0.2
129.07028	0.2
129.10242	1.2
130.04977	0.3
130.06497	0.3
130.08659	0.1
131.04910	0.5
133.02855	0.1
133.06468	0.1
134.06012	2.0
135.04413	0.7
136.07581	1.9
137.02348	8.6
137.03412	0.6
137.05974	3.4
137.06958	0.1
138.06502	0.1
139.05409	0.1
140.07065	0.5
141.07394	0.2
143.04918	0.2
144.06578	0.1
144.08101	0.1
145.02797	0.2
145.06482	0.9
145.52043	0.1
146.06049	0.2
147.04369	0.2
149.02374	0.9
149.05949	0.3
150.05487	0.4
151.03920	0.2
151.06262	0.1
151.07562	0.2
152.07091	1.2
153.01834	9.4
153.06825	0.3
154.52646	0.1
155.04924	0.8
155.05984	0.2
156.07771	0.3
157.06424	0.2
159.04405	0.3
161.05983	0.8
162.05470	0.1
163.03934	1.2
163.07497	0.3
164.04646	0.1
164.07080	2.2
165.01845	3.9
165.03279	0.2
165.07037	0.5
166.02565	0.5
166.08591	0.1
167.03348	0.1
167.07133	0.2
169.06384	0.2
171.02991	0.1
172.04208	0.2
172.11263	0.1
173.05984	1.2
175.11880	0.2
177.01900	0.1
177.05466	0.5
179.03410	0.4
181.06505	0.3
182.08115	0.3
183.02893	1.5
183.04443	0.8
183.08138	0.5
184.05107	0.1
187.03925	0.8
189.12424	0.2
190.12650	0.2
191.03400	0.3
191.07166	0.2
195.02924	0.3
197.05838	0.1
200.18379	0.4
201.05466	3.8
205.04927	0.3
207.02852	0.3
211.03899	0.2
211.07539	0.5
213.05562	0.3
213.09496	0.1
214.12216	0.3
215.03357	0.2
219.03085	0.3
219.06561	0.3
220.02809	0.1
225.09317	0.1
228.04214	0.6
228.17856	0.3
229.04973	8.2
232.03778	0.1
239.03442	0.4
242.11824	0.2
243.10243	0.2
246.05269	0.2
247.06012	1.3
257.04446	4.8
257.07983	0.2
260.12827	0.4
261.09033	0.1
261.12244	0.2
266.03302	0.2
267.02963	0.1
271.09735	0.6
274.04739	1.3
275.05450	0.4
285.03922	2.2
285.12375	0.4
286.10703	1.4
303.04987	100.0
303.13559	3.1
304.05353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.05880	0.1
53.03950	0.2
55.01865	0.5
55.05506	0.3
56.96557	0.3
65.03926	0.5
67.01855	0.3
67.05497	0.4
68.99789	1.7
69.03418	0.4
69.07064	0.3
69.49046	0.3
69.49444	0.8
70.06592	1.1
72.08171	0.7
72.51997	0.1
74.48556	0.1
79.05480	0.4
80.04984	0.3
81.03422	0.7
81.07062	0.3
82.06555	0.1
83.04970	0.2
84.04510	0.3
84.08146	0.8
84.96020	0.2
85.02914	0.4
86.09223	0.3
86.09708	3.4
87.10028	1.4
87.21569	0.1
91.05489	1.0
93.03403	0.6
93.07028	0.2
95.04982	0.9
95.08606	0.3
97.02865	0.3
98.20833	0.2
98.97601	0.3
103.05470	0.5
105.03447	0.2
105.07056	0.3
107.04944	0.4
107.08607	0.2
109.02866	1.0
109.06536	0.1
110.06114	0.1
110.07153	0.5
111.00816	1.8
111.04447	0.3
115.05453	0.2
116.05285	0.1
117.07021	0.4
118.05002	0.1
119.04945	0.3
120.08103	0.5
121.02866	2.2
121.06532	0.4
121.10112	0.2
122.03633	0.3
122.06030	0.4
123.04415	0.7
123.08036	0.2
127.03927	0.3
128.06181	0.3
129.10255	0.5
130.05037	0.1
130.06522	2.0
130.07477	0.2
131.04918	0.6
131.06876	0.4
131.08594	0.2
132.07991	0.2
132.10197	0.3
133.02852	0.2
133.06490	0.2
135.04443	0.8
135.08067	0.2
137.02354	7.2
137.03398	0.5
137.05977	3.8
138.06300	0.5
143.11812	1.4
144.12149	1.3
145.02843	0.3
145.06483	0.6
147.04388	0.3
149.02309	0.7
149.06001	0.3
150.05475	0.6
151.03860	0.2
151.07547	0.5
153.01839	9.2
153.06966	0.3
155.04974	0.8
155.06053	0.2
157.06522	0.3
158.99744	0.2
159.04425	0.2
161.05949	0.8
163.03888	1.1
163.07591	0.4
165.01849	3.8
165.07016	0.7
166.02634	0.7
168.05692	0.2
169.06474	0.2
171.11334	0.4
172.11629	0.4
173.05948	1.4
177.01894	0.2
177.05453	0.4
179.03363	0.4
180.08923	0.2
182.07329	0.2
183.02902	1.3
183.04430	0.8
183.08041	0.7
185.06010	0.2
186.11327	0.2
187.03946	0.9
191.03386	0.3
191.07066	0.2
195.02899	0.4
199.07500	0.2
200.04721	0.2
201.05476	4.3
205.04990	0.3
207.02795	0.2
207.04527	0.2
211.03979	0.3
211.07497	0.8
213.05418	0.3
215.03305	0.3
217.04828	0.2
219.02963	0.2
219.06522	0.6
225.09061	0.2
226.09450	0.6
228.04231	0.6
229.04968	8.9
232.03815	0.2
239.03455	0.3
239.07098	0.3
243.10156	0.8
243.12303	0.2
245.04645	0.3
247.06012	1.4
257.04425	4.3
257.08060	0.4
262.11069	0.2
271.09579	1.0
272.76080	0.1
274.04703	1.4
275.05551	0.3
285.03931	2.2
285.11227	0.3
286.04611	0.2
286.10706	1.3
302.04639	0.1
303.04993	100.0
304.05261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78109	0.2
52.01731	0.1
55.10384	0.2
60.82888	0.2
62.09641	0.2
64.97551	0.2
69.91708	0.4
69.92098	0.4
79.65647	0.2
81.07048	0.3
82.99863	0.4
84.08127	0.2
88.21960	0.2
92.78207	0.2
98.42994	0.2
98.97585	0.6
101.00880	2.7
116.98746	0.3
119.01924	4.8
122.97930	0.3
131.01865	0.2
134.99893	0.2
137.02933	0.5
140.98831	0.5
158.99884	1.9
165.99596	0.3
175.03064	0.2
177.00954	9.3
178.01073	0.5
178.14911	0.2
179.00787	0.4
181.22276	0.2
182.99806	0.9
186.87375	0.2
199.03047	0.3
201.00964	2.5
217.04117	2.6
218.03981	0.3
219.02014	17.5
220.02153	1.1
221.01862	0.7
225.00858	2.3
234.00787	0.2
238.95676	0.2
243.01991	12.3
244.02110	0.4
254.75551	0.2
256.96640	0.5
261.03064	100.0
262.03232	5.1
263.03256	0.6
266.03494	0.3
273.03058	0.2
279.00818	0.4
279.98257	0.4
283.00082	0.7
284.04758	2.0
284.99823	2.6
285.04974	0.3
301.01001	0.5
303.00821	2.6
303.04333	2.7
303.21790	0.4
320.97681	0.5
321.22751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01862	0.4
55.05504	0.3
57.19814	0.1
65.03929	0.6
67.01859	0.3
67.05503	0.3
68.99786	1.6
69.03427	0.5
69.07060	0.5
70.06586	0.5
70.63016	0.3
71.05004	0.2
72.08143	0.3
81.03413	0.5
81.07039	0.2
83.08627	0.3
84.04501	0.6
84.08166	0.2
86.09701	1.4
91.05484	0.3
93.03401	0.6
94.04169	0.2
95.04970	0.6
97.02895	0.3
103.05474	0.4
105.03407	0.2
107.04961	0.3
109.02883	1.1
110.07161	0.6
111.00818	1.6
111.04465	0.4
111.08070	0.2
116.07114	0.2
117.07013	0.4
119.04932	0.2
119.48173	0.1
120.08126	0.8
121.02876	2.0
123.04425	0.9
127.03925	0.4
130.05005	0.9
131.04926	0.4
132.08090	0.2
135.04417	0.4
137.02359	5.9
137.03418	0.4
137.05949	1.2
137.58212	0.2
145.02794	0.2
145.06483	0.6
149.02333	0.5
150.05481	0.3
151.07524	0.3
152.10707	0.2
153.01836	8.8
155.04889	0.8
155.06027	0.2
157.06508	0.2
159.04408	0.3
159.09151	0.3
160.09534	0.4
161.06009	0.7
163.03954	1.2
163.07628	0.3
165.01854	3.9
165.06952	0.2
166.02635	0.3
168.05801	0.2
169.13435	0.3
173.05983	1.1
175.09772	0.2
177.05455	0.4
177.10236	0.2
183.02901	1.6
183.04427	0.9
183.08081	0.4
187.03941	0.8
191.03426	0.3
194.15411	0.1
195.02878	0.5
197.12898	0.3
201.05490	4.0
201.07237	0.3
205.04858	0.4
207.02882	0.2
211.04019	0.3
211.07567	0.3
213.05540	0.3
215.13876	0.2
219.06526	0.5
221.53929	0.1
228.04150	0.6
229.04984	8.6
239.03381	0.3
247.05984	1.0
253.10461	0.3
257.04471	4.8
271.09674	0.4
274.04745	1.4
275.05453	0.2
285.03958	1.7
285.12613	0.3
285.18097	0.8
286.10553	0.4
303.05002	100.0
304.05228	0.9
313.22974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3054
Annotation	Sphinganine
Peak:m/z	Relative Intensity
55.05502	0.1
57.07081	5.6
58.06598	0.5
60.04498	0.1
62.06087	0.5
64.92023	0.1
68.05040	0.2
69.07071	0.1
70.06598	11.1
70.68079	0.3
71.08636	2.9
74.06159	0.2
85.10187	1.1
88.07637	14.5
102.09184	3.7
104.07137	0.1
106.08675	7.9
240.26862	0.3
258.27884	0.8
262.07510	0.1
284.29504	5.7
302.30542	100.0
303.30780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05061	0.2
57.07080	6.1
58.06583	0.4
60.04494	0.3
62.06071	0.4
64.41483	0.3
64.64445	0.2
66.57542	0.2
70.06598	10.5
70.96120	0.4
70.96452	0.3
71.08640	2.2
81.60303	0.3
85.10186	1.1
88.07638	14.8
90.03173	0.2
94.45065	0.2
102.09190	3.6
106.08680	7.7
186.84062	0.3
223.62778	0.3
240.26788	0.3
258.27936	0.9
274.10709	0.3
284.29495	6.4
302.30545	100.0
303.30786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.05023	0.4
57.05798	0.5
62.96709	0.3
65.95848	0.3
67.23169	0.3
69.03435	0.5
69.07072	8.7
69.49335	1.9
70.06606	2.2
72.08153	1.5
75.05614	3.0
81.23929	0.3
81.88963	0.3
83.08655	0.5
84.04508	0.6
84.08156	0.9
86.06081	6.8
86.09711	100.0
91.05481	0.5
93.07056	0.3
94.10178	0.2
98.02620	0.3
109.07662	0.3
111.04465	0.3
116.07116	0.4
120.08109	0.7
121.08440	0.3
123.04436	0.3
129.10234	0.3
130.04987	0.7
132.10217	9.6
137.06006	1.0
143.05020	0.4
143.11810	20.2
147.04515	0.2
151.58705	0.3
159.09181	0.5
164.07118	0.7
171.02095	0.5
171.11302	14.9
189.12361	8.0
199.01663	0.4
211.83047	0.3
225.00729	0.3
284.19562	0.4
285.11923	0.6
287.05014	0.5
290.18311	0.3
302.10031	8.6
302.14258	1.0
302.20755	1.7
303.04950	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.8
56.05033	9.0
56.96563	3.0
57.07083	6.1
58.12140	0.6
59.04992	0.8
67.05484	1.1
69.07056	1.1
70.06587	1.1
71.08631	3.3
72.08156	0.8
73.99802	0.6
74.06080	20.2
81.07054	1.1
85.10181	1.2
88.07630	65.9
91.05473	0.7
93.07030	0.8
98.97572	1.3
102.05562	1.1
106.08638	1.6
107.06817	0.7
116.07056	4.1
116.98626	1.2
117.68246	0.7
130.08607	1.3
134.08139	5.2
134.24391	0.7
134.28848	0.7
168.00574	1.4
177.00705	0.8
181.01328	1.0
182.01654	1.3
186.01707	0.7
187.02011	0.8
222.60612	0.7
242.24788	20.3
250.14113	1.9
278.96967	1.1
279.12692	2.4
284.25681	3.2
286.04532	1.3
287.05035	5.3
302.07486	11.9
302.26910	100.0
302.30344	6.3
303.27353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92628	0.5
51.45419	0.5
55.05512	5.1
56.05034	1.4
69.07062	1.0
69.49070	3.3
70.06596	5.6
70.66026	0.4
72.08157	100.0
74.06094	0.8
77.27997	0.4
83.06062	0.5
84.04503	2.3
84.08124	2.8
85.02925	0.6
86.09708	33.8
87.10062	0.5
88.04019	0.5
91.05482	5.0
95.04973	0.5
98.20732	0.5
100.07620	1.5
105.03402	1.0
106.06586	0.6
107.04978	0.7
110.07156	4.5
110.13918	0.5
118.08682	1.4
119.04927	1.3
120.08089	0.5
121.02843	0.6
121.06549	1.1
123.04445	1.2
129.10257	1.2
130.04990	0.6
130.06522	3.0
132.10208	7.7
135.04427	1.4
136.07552	0.7
137.02321	0.6
137.05966	5.3
143.11800	73.1
148.40939	0.5
153.01813	1.5
156.07690	2.2
157.07585	0.5
157.13361	11.0
163.03964	1.1
164.07101	4.6
171.11290	39.2
177.05545	0.6
178.67761	0.5
179.08591	1.1
180.07959	0.7
185.12874	6.7
191.07280	1.4
201.05440	0.7
203.13905	1.4
204.08186	0.8
205.08815	1.6
206.09668	10.9
207.08105	0.6
220.07513	1.1
224.10683	3.1
229.04959	0.6
231.17076	2.8
234.09123	7.5
235.09866	1.9
236.06956	2.3
237.07784	1.6
238.08800	0.5
251.09369	2.0
252.10197	51.9
253.10922	1.0
257.04385	0.6
270.11285	10.4
284.12805	27.1
285.12543	0.6
287.04987	0.9
302.04245	0.8
302.07288	0.7
302.10403	1.4
302.13971	1.5
302.20993	0.6
303.05011	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	302.2076
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
55.05501	0.3
56.05021	0.3
57.71139	0.2
60.06298	0.3
65.48306	0.3
67.05501	0.3
69.03447	0.3
69.07071	4.0
69.67879	1.3
70.06588	2.5
72.08147	0.8
75.05610	7.3
84.04522	0.4
84.08144	1.2
86.06085	1.8
86.09710	100.0
87.10048	0.6
91.05476	0.4
92.02589	0.3
93.03384	0.3
98.97550	0.3
110.07160	0.4
116.07156	0.4
120.08089	0.9
121.02852	0.6
121.06528	0.3
129.10258	0.5
130.06578	0.3
131.04903	0.4
132.10213	12.4
135.46382	0.3
136.07574	0.3
137.06009	0.6
143.11803	60.4
153.01837	1.0
159.09140	0.5
164.19415	0.2
170.98950	0.2
171.11293	22.1
189.12341	5.6
203.19028	0.3
217.04890	0.4
225.09081	0.3
228.04239	0.3
229.04941	0.4
245.18462	0.4
257.08051	0.3
257.18588	0.5
287.04993	0.4
302.04352	2.6
302.07361	0.4
302.10602	0.4
302.14389	0.6
302.20679	1.6
303.04852	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.7
57.05813	0.7
57.21003	0.5
64.05267	0.4
68.57820	0.5
69.03433	0.7
70.06602	3.1
70.19525	2.0
72.08160	100.0
79.05468	0.5
81.03419	0.7
82.06596	0.5
84.08163	1.4
85.02911	4.0
86.06094	2.8
86.09711	33.7
91.05493	1.6
93.99171	0.5
95.04985	0.5
97.02895	2.3
100.07612	1.0
107.05023	0.8
109.02845	0.5
110.07191	1.2
118.08615	1.0
120.08115	0.4
121.06490	0.8
123.04440	0.8
127.03883	1.1
128.07103	1.1
130.06531	1.1
132.10219	8.3
136.07588	1.2
137.05994	1.2
140.07120	2.7
143.11804	69.3
152.07082	1.4
157.13377	12.6
157.14674	0.7
159.24706	0.4
164.07079	2.4
171.11301	41.4
178.08624	0.7
182.08142	5.7
185.12868	7.5
191.07367	1.0
203.13916	3.0
204.08054	0.7
205.08737	0.6
206.08035	1.2
206.09686	5.6
224.10696	1.9
225.09224	0.6
231.17000	3.0
234.09192	4.9
235.10004	0.7
236.07156	1.2
237.07864	1.4
250.08751	0.5
251.09409	1.0
252.10213	33.8
253.10727	0.9
270.11191	2.3
278.58029	0.5
284.12833	18.2
302.07455	0.5
302.11154	1.1
302.20859	0.8
303.04965	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
56.05044	0.3
56.96571	0.4
67.05509	0.5
69.03432	0.6
69.07069	1.5
69.99431	1.2
70.06603	2.3
72.08158	2.6
73.06538	0.5
74.02444	0.4
75.05607	2.9
75.51121	0.2
79.05492	0.4
81.07090	0.4
84.08147	1.0
85.02938	0.7
86.09711	100.0
90.12663	0.2
91.05485	4.1
93.07035	0.5
94.09485	0.3
97.02901	0.4
98.06057	0.8
98.97601	0.9
103.05445	0.4
105.07048	0.5
110.07170	0.3
111.08147	0.3
115.05479	1.2
116.07095	0.3
117.03365	0.3
119.04932	0.6
120.08106	0.8
121.02858	0.3
121.06515	2.9
122.03674	0.7
123.04440	0.3
125.01552	1.1
127.18443	0.3
129.10175	0.5
130.06538	1.5
132.08125	0.4
132.10214	12.0
136.05112	0.3
136.07574	0.4
137.02461	0.4
137.05988	16.1
138.06305	0.5
143.11807	70.7
144.08092	0.4
145.02850	1.1
146.06007	0.4
147.04419	0.9
148.05188	0.8
149.05975	2.0
150.06721	0.6
151.06284	1.0
151.07475	0.6
152.07108	0.4
153.00992	1.1
162.01321	0.3
163.07542	0.7
164.07095	0.3
171.11298	25.0
177.05492	3.1
178.07771	0.4
179.07048	0.5
179.08522	3.8
184.07449	0.3
185.03658	2.0
189.12378	0.4
197.09656	1.0
199.07326	0.4
207.08069	3.4
210.06781	7.1
212.99333	0.3
213.03133	3.2
225.09116	22.7
230.05769	0.4
242.05829	0.5
242.11772	5.1
245.18596	0.9
248.12817	0.7
253.08650	0.5
270.11169	0.4
284.10486	8.3
284.13547	0.3
284.19104	0.4
285.11206	5.6
287.05099	0.6
302.01328	0.3
302.07111	1.0
302.10693	2.4
302.14307	5.4
302.17499	0.4
302.20981	0.5
303.04993	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.15
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
50.20272	0.5
55.01873	0.8
55.05500	2.4
56.96562	1.0
65.03944	0.7
65.53877	0.5
67.05479	0.6
68.05048	0.7
69.03434	1.1
69.07060	0.7
69.30907	2.2
69.31340	2.2
70.06595	38.1
72.08161	5.0
73.06552	0.8
81.07043	1.0
82.06606	0.6
82.07375	0.9
84.04501	1.0
84.08144	4.5
84.96011	0.7
86.09698	4.9
88.87889	0.5
90.09211	0.9
91.05501	2.8
98.06074	1.7
98.97566	1.4
103.05463	0.7
109.06540	0.7
110.07109	1.1
111.04438	1.1
114.05533	19.6
115.05436	2.4
115.08662	0.6
116.07097	19.4
117.03369	0.5
117.05754	2.4
118.06518	1.6
119.04935	1.3
120.08109	2.4
121.06513	1.0
122.03608	0.8
123.04407	0.8
125.01522	0.9
125.07137	4.9
129.10201	1.2
130.06529	17.7
131.05006	0.6
132.08098	48.1
136.07513	0.7
137.05983	28.4
138.06361	0.7
142.06531	6.2
144.08087	13.4
145.02832	1.6
148.05217	2.0
149.05945	1.8
151.07544	1.1
153.00963	1.3
159.09183	100.0
160.07597	4.1
163.03845	0.7
163.07457	0.9
164.07066	0.8
170.06018	25.2
171.07640	4.5
172.07578	3.9
176.15012	0.6
177.05466	4.5
182.06743	0.7
185.03601	3.0
188.07094	0.8
199.07204	0.7
199.14598	0.5
206.09657	0.6
212.04590	1.0
213.03159	6.0
230.24655	0.5
234.09393	0.5
239.11803	0.9
242.05774	1.0
243.11359	0.7
248.12869	1.4
252.10292	3.0
256.15109	0.6
257.12927	4.1
284.05542	1.3
284.10406	10.7
284.12848	1.0
285.12344	57.5
287.05096	1.1
302.07562	2.0
302.11353	7.2
302.15009	11.8
302.21649	0.6
303.04990	6.6
303.62836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1387
Annotation	Crinamine
Peak:m/z	Relative Intensity
50.68197	0.3
53.50778	0.3
55.05489	1.5
63.87221	0.3
69.03424	0.5
70.06589	2.6
70.47385	0.9
72.08159	24.5
74.06082	0.3
83.68347	0.3
84.04486	0.5
84.08111	1.4
85.02887	0.7
85.06535	0.7
86.05607	0.4
86.06072	7.4
86.06878	0.4
86.09230	0.6
86.09710	8.2
91.05486	1.8
98.97551	0.5
107.04967	0.5
110.07162	0.8
119.04926	0.7
120.08134	0.4
121.06499	1.6
123.04427	0.8
125.01511	0.5
128.04982	0.4
128.07072	0.7
130.06541	4.0
132.10254	2.2
135.04387	1.0
136.07602	0.5
137.05988	2.9
140.07043	0.9
142.06400	0.4
143.07300	1.0
143.11801	16.3
157.13324	2.6
158.99588	0.3
163.03860	0.4
164.07062	2.6
165.06967	0.4
171.02083	0.4
171.11296	10.2
178.07756	0.5
179.08536	2.4
180.08057	1.0
182.08174	1.0
185.12936	1.8
189.07021	0.4
191.07294	3.0
196.11182	0.7
199.01543	0.5
203.13947	0.7
204.07999	2.3
205.08868	3.0
206.09665	20.6
207.08063	1.0
210.06714	0.6
219.06734	0.8
220.07626	1.8
224.10742	5.1
225.09146	0.5
231.17029	0.9
233.08359	1.3
234.09145	13.2
235.09900	2.9
236.07056	3.5
237.07851	4.1
238.08688	1.8
250.08598	1.2
251.09399	3.4
252.10208	100.0
253.10956	2.4
270.11267	3.2
284.12820	60.6
285.13092	0.8
287.05014	0.4
302.04123	0.7
302.07303	0.4
302.10681	0.6
302.13812	1.5
302.21191	0.4
303.04996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87841	0.4
55.01873	0.7
55.05502	0.7
67.05495	0.4
67.58854	0.4
68.99782	0.5
69.07060	3.1
70.06593	3.6
71.52370	0.5
71.71201	0.4
72.08159	3.6
75.05611	6.6
79.05522	0.4
81.03427	0.7
84.04502	0.6
84.08147	2.1
85.02911	0.5
86.09708	63.4
91.05482	15.2
93.07066	1.0
98.97581	0.6
103.05448	0.5
105.03387	0.5
105.06991	0.7
106.06573	1.1
109.06537	0.5
110.07189	0.8
110.44563	0.4
115.05457	4.8
115.08643	0.5
117.12013	0.4
118.06535	0.9
119.04887	0.5
120.08126	1.5
121.06509	13.3
123.04425	1.3
129.10240	1.8
130.06573	0.4
131.04878	0.5
132.08098	0.8
132.10216	8.1
136.07596	0.6
137.05954	1.4
141.07010	1.0
143.11803	50.6
146.06030	1.2
147.00301	0.5
147.04434	1.7
148.03882	0.7
149.04283	0.7
149.04845	0.4
149.05969	3.6
151.06302	4.9
152.07100	0.9
153.01837	0.4
154.07672	0.4
154.74677	0.4
155.08505	1.4
159.09225	0.7
164.07094	0.8
165.07002	0.9
167.08551	1.6
168.00505	0.8
171.11292	16.8
178.07735	2.8
179.08554	16.2
179.10159	0.8
182.07309	1.1
186.01611	1.2
189.12383	1.9
195.08040	0.6
197.06078	0.5
197.09589	5.4
207.08064	16.0
210.06766	34.8
211.07420	1.1
225.09108	100.0
226.09482	0.8
229.04997	0.8
229.07124	0.5
242.11763	21.8
248.30821	0.5
253.08583	1.4
256.14377	0.5
270.11292	2.7
270.15762	0.5
285.11218	22.2
287.04953	0.8
302.04184	1.3
302.07419	0.9
302.10861	1.9
302.13892	30.8
303.05005	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	302.1389
Annotation	Crinamine
Peak:m/z	Relative Intensity
55.05519	3.8
56.05034	1.0
60.04521	0.5
64.19440	0.4
69.07073	1.6
70.06594	4.8
70.56019	1.4
72.08160	93.1
74.06097	0.8
84.04507	1.4
84.05861	0.4
84.08160	2.8
86.09711	24.6
91.05485	5.5
94.60320	0.5
96.43269	0.4
100.07571	0.9
101.04269	0.5
103.05496	0.6
105.03403	1.3
106.06567	0.7
107.05011	0.4
110.07188	2.2
115.05459	0.6
118.08611	0.6
119.04934	1.7
120.08128	0.7
121.06516	2.3
123.04442	1.3
129.10234	1.4
130.06534	3.3
132.10187	7.0
135.04430	1.2
137.05997	7.3
143.11803	64.2
147.04430	0.8
152.07094	1.3
156.07707	1.5
157.13370	5.4
163.03888	0.7
164.07077	8.7
166.08609	0.5
167.07211	0.5
171.11298	37.3
172.04268	0.7
178.07712	0.7
179.08560	2.7
180.08089	0.7
181.08780	0.8
182.09659	0.5
185.12897	3.4
185.16565	0.6
189.12329	0.8
191.07262	3.4
197.07446	0.6
203.13742	0.5
204.08057	1.6
205.08942	2.3
206.09668	21.2
207.08069	1.5
210.06783	0.9
211.07614	0.8
220.07597	2.0
224.10745	5.3
225.09181	1.5
229.11752	0.5
231.16994	2.7
233.08351	1.2
234.09154	13.3
235.09918	2.7
236.07069	3.6
237.07855	3.6
238.08656	2.1
241.08571	0.7
242.11763	1.8
250.08656	1.6
251.09415	3.2
252.10205	100.0
253.10989	2.4
270.11261	19.1
284.12817	49.8
285.13007	0.8
302.07364	0.8
302.10452	1.3
302.14069	2.9
302.21030	0.8
303.05002	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	301.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01880	2.2
55.05516	6.0
56.96563	2.4
57.03439	1.2
57.07075	2.3
58.87126	1.1
65.03934	2.0
65.06738	0.9
67.05238	1.0
67.05508	11.3
68.99786	1.5
69.03426	6.1
69.07073	8.3
70.06580	3.4
71.04987	10.1
72.08141	1.9
77.03897	1.2
79.05497	9.3
81.07058	23.4
83.04956	1.5
83.08632	2.4
84.04512	1.3
84.08131	2.9
85.02849	1.5
85.06508	2.6
91.05489	12.3
92.31235	0.9
93.06498	1.5
93.07050	20.6
95.04965	5.2
95.08611	17.6
97.02896	1.3
97.06525	3.9
97.10166	1.2
98.97580	4.5
103.05437	2.2
105.07037	28.3
107.04954	3.3
107.08599	22.7
107.51221	1.1
109.02909	1.3
109.06522	3.6
109.10160	16.9
111.04457	1.2
111.08059	1.9
115.05504	1.4
116.98628	1.3
117.06992	4.1
119.04897	2.1
119.08590	19.3
121.02857	2.9
121.06545	6.8
121.10146	15.2
123.04462	1.7
123.08070	3.2
123.11700	4.6
125.06005	1.9
125.09615	3.7
129.07011	1.7
130.07816	1.2
131.04889	1.1
131.08569	11.3
133.06506	2.3
133.07477	1.2
133.10147	20.7
134.77818	1.0
135.08061	3.5
135.11682	6.4
137.02403	1.1
137.06003	6.0
137.09605	6.4
141.06992	2.5
142.07785	2.8
143.08565	4.4
144.09256	1.2
145.10127	16.0
147.08014	3.2
147.11702	10.2
149.05940	1.6
149.13264	2.9
150.05553	1.5
151.03902	1.5
151.11188	1.9
152.06192	3.0
153.07031	7.9
155.08565	1.9
157.10123	7.3
158.10918	1.2
158.99606	1.7
159.08031	2.1
159.11731	11.8
161.06021	2.0
161.09641	11.9
161.13234	3.5
163.11197	8.6
163.14758	1.6
165.06996	4.5
165.12766	1.6
167.08472	2.1
168.00540	10.0
169.06470	3.0
169.10139	2.0
170.07271	1.4
171.11702	6.3
173.09637	3.1
173.13280	12.1
175.11189	4.1
175.14868	2.1
176.06134	1.1
177.06961	1.3
177.12735	1.2
180.07327	1.3
181.01352	6.9
181.06462	8.1
182.07280	1.3
182.10799	1.6
183.08090	1.7
184.05092	1.2
185.09602	1.7
185.13300	2.9
186.01608	7.5
187.07487	2.2
187.11150	1.7
187.14810	4.1
189.12735	1.5
191.03856	1.1
191.10609	1.1
191.14316	17.7
195.08128	2.8
197.05991	4.6
197.13254	4.9
198.06789	5.3
199.07529	2.2
199.11295	1.1
199.14803	5.7
201.16383	9.3
203.14355	2.3
205.12219	1.6
208.05208	1.7
209.05997	2.0
211.07498	1.2
211.14905	1.8
212.04614	1.6
213.09061	3.6
213.16429	5.1
215.07014	1.9
215.14322	5.8
217.15880	2.9
219.13791	1.7
223.07492	2.5
223.14856	1.6
225.09273	1.1
226.06250	5.0
227.07008	1.4
229.15858	1.7
231.17453	1.9
237.05508	1.8
241.05103	1.5
241.08551	7.6
241.15883	1.5
241.19463	1.4
251.07076	2.3
255.06567	1.5
255.21082	4.0
258.05362	5.4
258.08890	1.3
265.19565	1.9
269.08124	6.1
273.22220	2.0
283.06107	5.3
283.10620	1.8
283.20618	12.1
284.08798	1.3
285.03925	5.7
286.04770	54.7
301.07016	100.0
301.10712	47.0
301.14175	5.2
301.18216	1.8
301.21613	52.1
302.07458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03947	1.4
55.05507	5.1
57.07071	1.3
60.33403	0.9
67.05502	10.1
68.99826	1.1
69.03432	6.9
69.07065	8.5
71.02576	1.7
71.02942	2.0
71.04610	1.0
71.04996	18.0
74.04128	1.0
79.05496	11.5
81.07060	26.9
83.04996	2.2
83.08621	1.8
85.06549	1.2
86.09705	1.3
91.05481	13.0
93.07044	27.2
95.04972	4.0
95.08612	20.2
97.06538	3.5
103.05521	1.4
105.03394	1.3
105.07035	40.7
107.04976	3.8
107.08600	25.0
109.06546	5.7
109.10166	15.9
111.08081	2.4
112.01742	1.2
117.07008	5.4
119.04962	1.5
119.07708	1.4
119.08579	23.9
121.06518	10.4
121.10142	24.6
123.04406	1.2
123.08099	3.2
123.11705	3.4
125.09644	3.8
128.06192	1.1
129.06996	2.5
130.07835	1.5
131.04897	1.0
131.08557	13.9
133.06516	1.2
133.10138	33.5
134.03664	1.2
135.08063	3.5
135.11684	10.8
137.06003	3.4
137.09622	6.3
139.07550	1.0
139.11165	1.6
142.07817	1.7
143.08540	4.9
144.09366	2.3
145.10123	22.8
147.08072	2.3
147.11693	12.1
149.06000	7.2
149.09639	2.8
149.13278	3.9
151.07561	2.5
151.11208	3.5
152.06232	3.1
153.07008	11.8
153.09035	1.2
155.08539	1.3
156.09392	2.0
157.10120	9.7
158.10988	2.0
158.56932	1.0
159.11691	16.9
161.09625	20.2
161.13271	2.9
163.11177	11.1
163.14862	1.9
165.12732	1.9
167.08598	1.8
168.00580	3.1
169.06516	1.1
169.10094	1.6
170.07372	1.3
171.11736	5.9
173.09702	3.8
173.13271	14.4
175.11212	4.0
175.14850	2.4
177.05511	2.3
177.12817	2.7
177.16454	1.8
180.05745	1.3
181.06499	13.5
182.10948	1.1
183.11775	1.4
185.09647	1.6
185.13327	1.9
186.01668	1.6
187.14851	4.4
187.23055	0.9
189.12720	1.8
191.14310	36.5
195.08063	2.6
197.06055	1.7
197.13284	7.4
198.06807	3.7
199.14783	7.9
201.16380	13.5
203.14365	2.1
209.06056	3.2
211.14801	2.5
213.09113	7.2
213.16344	7.4
215.14314	7.8
217.15941	4.4
219.17519	3.1
223.14743	1.9
225.05377	1.1
226.06387	2.2
227.14323	2.3
229.15874	1.6
231.17546	3.5
241.08578	9.0
241.16002	1.7
241.19530	2.3
243.17442	2.4
245.15353	1.8
245.52234	1.3
247.02142	1.2
255.21121	4.7
258.05252	28.8
265.19437	2.2
269.08102	1.9
272.10568	1.2
273.11108	5.7
273.22125	1.0
276.76541	1.2
283.20554	14.6
285.03964	1.2
286.01508	2.3
286.04736	49.4
301.07147	100.0
301.10696	19.5
301.21609	63.0
302.07574	1.8
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	5,2'-Dihydroxy-6,7-methylenedioxyflavanone
Peak:m/z	Relative Intensity
52.63751	0.2
53.00305	0.4
68.99779	1.8
70.94941	0.4
77.24476	0.2
84.89359	0.3
85.02908	0.5
89.35886	0.2
95.01337	1.2
97.02894	0.8
103.05486	0.4
105.45282	0.2
111.00827	0.3
115.62009	0.2
123.00806	2.9
125.02341	1.5
147.04434	0.4
151.00241	2.3
153.01842	1.1
168.00587	0.3
181.01328	100.0
182.01611	0.3
187.48286	0.3
234.43639	0.2
259.06049	1.0
283.06003	0.7
286.04745	0.6
301.07050	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	301.0708
Annotation	Koparin
Peak:m/z	Relative Intensity
53.65041	0.8
55.01865	1.4
62.41725	0.6
68.99796	2.3
70.90757	1.6
74.49306	0.6
79.05568	0.7
81.07063	0.6
87.53030	0.6
91.05482	1.2
93.07067	0.7
95.08638	0.9
99.00823	3.5
105.07027	0.9
107.08584	1.5
109.10175	1.2
112.01599	4.5
118.04154	1.2
127.00276	4.2
133.10136	1.3
140.01013	4.2
145.02863	1.4
147.11699	0.7
153.06990	0.7
154.99733	0.9
159.11719	1.2
165.01862	0.8
168.00558	41.8
181.06488	1.5
183.02933	6.1
186.01619	17.2
201.16508	0.8
217.15454	1.4
241.04922	1.3
241.08595	0.8
256.43542	0.7
258.05225	1.7
265.05072	1.8
268.03635	3.4
269.08163	1.0
273.07620	0.8
283.06052	5.7
283.20374	0.7
285.03992	1.8
286.01550	1.0
286.04755	21.0
301.07111	100.0
301.21649	4.2
302.07449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.7
56.05046	0.5
56.92412	0.4
56.96552	0.8
57.07076	17.0
58.34649	0.4
60.04524	3.0
60.05655	3.5
61.02912	0.3
63.15012	0.4
69.03410	0.5
69.07067	0.4
70.06593	43.9
70.79595	1.1
71.04993	4.2
71.06913	2.3
72.08154	6.2
73.08481	0.5
74.02440	0.9
74.09722	0.4
79.48499	0.4
81.07088	0.6
84.04487	1.4
84.08140	6.2
85.02894	0.6
85.06535	2.2
86.09710	8.5
87.10034	1.2
88.07626	1.0
91.05453	0.9
91.54685	0.3
95.06087	2.9
97.07644	2.6
98.06036	1.1
98.97585	0.6
102.06660	3.9
102.09179	5.4
105.42931	0.4
109.07615	0.6
110.07153	1.5
112.08732	11.8
113.07124	4.5
114.05528	0.7
114.10303	4.1
115.08696	7.3
116.07094	17.1
117.07439	1.9
119.04931	0.4
120.08109	1.1
129.10214	2.6
130.05014	0.5
130.08809	0.6
130.09764	1.8
137.05971	1.8
140.07129	0.5
141.06586	0.7
141.10228	0.5
150.05487	0.7
153.13847	0.5
154.09750	4.6
154.12253	1.1
155.15439	0.6
156.11307	1.0
156.13817	2.2
157.13391	1.1
158.09251	33.5
158.13699	0.8
159.07666	1.1
162.05469	0.5
163.03963	0.6
168.00536	0.9
172.10847	1.2
175.11880	3.4
177.05490	0.6
181.13347	1.2
196.14435	1.0
199.11868	0.6
199.12561	0.5
199.14415	5.5
199.18102	0.7
200.10271	1.1
200.12816	13.2
217.12950	8.6
224.13971	3.1
230.15735	1.4
241.16609	1.2
242.14987	11.6
259.17651	5.8
283.17606	2.1
284.09586	0.5
285.03818	0.6
286.04712	4.5
301.06839	4.7
301.18683	100.0
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	alnusin
Peak:m/z	Relative Intensity
55.01868	0.7
56.02642	0.7
66.01057	0.3
68.99797	2.9
69.03403	0.2
70.00573	0.3
70.06625	0.3
70.79437	0.7
71.01343	0.8
75.97047	0.2
84.02122	1.7
91.05489	0.3
99.00208	0.4
99.00821	4.9
112.01591	5.7
115.05466	0.3
118.04172	0.5
127.00296	4.5
131.04930	0.3
140.01045	3.9
144.39545	0.3
145.02820	0.9
154.99759	1.6
166.43610	0.3
168.00551	65.2
169.00990	0.3
181.06494	0.3
183.02911	5.6
183.04523	0.4
186.01611	22.7
209.70535	0.3
213.05402	0.4
239.64780	0.3
241.04950	0.5
241.08723	0.3
245.08188	0.4
255.06569	0.6
258.05276	0.7
268.03690	4.2
269.04514	0.3
273.07599	0.5
283.06058	0.4
285.03882	1.1
286.04749	10.2
301.07086	100.0
301.18079	1.6
302.07596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Diosmetin
Peak:m/z	Relative Intensity
55.01847	0.2
55.05472	0.3
63.34655	0.2
67.05479	0.3
67.47391	0.1
68.99790	1.8
69.03391	0.2
69.68733	1.0
71.01309	0.5
71.04946	0.4
79.05462	0.2
79.77884	0.2
81.07012	0.4
84.02070	0.6
91.05476	2.1
92.99731	0.2
93.06979	0.5
95.04940	0.2
95.08567	0.3
99.00825	2.1
103.05432	0.3
105.06974	0.7
107.08517	0.5
109.10129	0.3
110.96374	0.2
112.00909	0.2
112.01585	2.5
118.04161	1.0
119.04942	1.4
119.08558	0.5
120.05736	0.9
121.02793	0.5
121.10091	0.4
121.36951	0.2
125.02283	0.3
127.00282	2.2
127.03896	0.4
128.06195	0.3
131.04939	0.2
131.08583	0.3
132.05652	0.5
133.06461	0.3
133.10095	0.6
139.00282	0.3
140.00171	0.2
140.01064	2.0
143.08482	0.2
145.02841	1.7
145.10071	0.3
146.03575	0.3
147.04448	1.0
147.11664	0.2
148.05203	0.2
149.13202	0.2
153.01801	0.3
153.06927	0.2
154.99698	0.6
155.08658	0.2
156.05653	0.7
156.06760	0.2
157.06432	0.4
157.10068	0.2
158.03601	0.2
159.04372	0.5
159.11644	0.3
160.05124	0.9
161.09625	0.2
163.11197	0.4
165.01811	0.3
168.00542	21.2
169.06429	0.2
171.04359	0.7
171.11606	0.2
173.02249	0.2
173.13260	0.3
179.03360	0.3
181.06430	0.5
183.02896	10.6
183.08025	0.2
184.05135	1.1
185.00798	0.3
185.05899	0.6
185.13280	0.2
185.79057	0.2
186.01593	10.5
187.03886	0.6
195.04370	0.3
197.06001	0.4
198.06740	0.2
199.03839	0.3
201.05449	0.4
201.16386	0.2
202.06232	0.4
209.05923	0.2
212.04691	0.7
213.05415	1.2
213.08932	0.2
215.03293	0.4
216.04195	0.2
227.07074	0.3
229.04953	0.9
232.96266	0.2
239.03418	0.4
239.06918	0.2
240.04193	1.4
241.04938	3.1
241.08653	0.3
245.08099	0.5
255.06451	0.4
255.21014	0.3
257.04553	0.6
258.05231	2.8
268.03659	3.6
269.04437	1.9
269.07501	0.3
273.07571	1.1
283.06003	0.9
285.03897	1.0
286.04718	46.2
287.05228	0.3
301.07068	100.0
301.21646	1.7
302.07352	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28078	0.3
55.01870	2.2
56.05028	0.4
60.78875	0.3
67.04244	0.9
68.05035	7.1
69.07081	0.5
69.52921	1.3
69.53331	0.5
70.06596	11.4
72.08150	0.8
77.03884	0.4
81.04551	1.2
82.06581	1.6
83.06109	1.1
84.04514	1.0
84.08134	0.9
86.09711	12.6
91.05508	0.5
92.50205	0.3
95.06098	4.7
96.06875	15.8
97.07664	7.1
98.21441	0.4
101.62804	0.4
103.05472	14.9
107.06061	0.7
109.07648	100.0
110.07195	0.4
116.07098	17.5
117.07015	0.6
119.04974	2.4
122.02716	1.0
124.08719	5.1
125.07140	1.1
126.10284	31.3
129.06642	0.5
131.04933	32.0
132.49802	0.3
135.05533	2.1
138.05537	0.5
142.06480	0.4
147.04411	3.9
147.07938	0.4
148.07617	0.7
153.06610	8.0
153.07843	0.5
155.01590	1.5
157.13376	4.8
160.03880	0.4
169.03212	1.0
170.09254	16.9
179.07057	6.8
185.12845	1.9
197.10818	0.3
197.12836	1.1
200.07111	0.5
211.04276	2.0
229.15408	0.4
238.13507	1.1
254.08191	0.6
254.12912	1.0
256.14481	11.5
282.12350	1.2
285.09952	1.4
300.13443	83.2
301.13629	0.6
310.43997	0.3
320.09122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2898
Annotation	Palmitoyl Ethanolamide
Peak:m/z	Relative Intensity
55.05519	1.4
57.07079	12.3
62.06091	100.0
63.46238	0.2
67.05510	3.0
67.69604	0.3
69.07076	1.6
69.16742	2.4
71.08633	8.4
73.32338	0.3
79.05488	0.3
81.07064	2.8
83.08633	2.2
85.10181	4.4
95.08609	4.2
97.10177	0.8
98.20770	0.5
98.21437	0.8
109.10160	1.9
112.17153	0.3
123.11691	0.3
144.04683	0.2
181.14038	0.3
239.23763	0.8
258.27899	0.6
282.27914	3.2
283.26328	9.7
286.04697	1.1
300.28979	25.3
301.07068	1.1
315.71112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0706
Annotation	Koparin
Peak:m/z	Relative Intensity
55.01857	0.4
55.04598	0.4
56.02655	0.7
59.29510	0.4
63.64013	0.4
68.99795	2.1
70.00573	0.4
70.31608	1.2
71.01357	0.7
84.02128	2.0
94.79561	0.4
99.00818	4.3
101.01216	0.4
112.01593	4.8
112.02328	0.6
119.04946	0.3
122.50806	0.3
127.00302	4.2
137.02307	0.4
140.01044	4.3
145.02885	1.1
154.99768	1.3
159.83261	0.5
168.00551	68.0
183.02895	7.0
186.01607	24.2
210.89726	0.4
241.04865	0.4
245.08101	0.6
258.05347	1.0
265.77536	0.4
268.03677	4.4
270.71249	0.3
273.07764	0.7
285.03952	0.8
286.04770	10.8
301.07077	100.0
302.07306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1231
Annotation	Caffeoyl tyramine
Peak:m/z	Relative Intensity
50.01594	0.3
53.03941	1.1
55.05503	1.0
67.91347	0.3
69.82790	1.2
70.06602	0.3
72.08118	0.3
77.03921	0.6
79.05476	0.7
82.06577	0.8
83.08607	0.6
84.08148	0.4
89.03916	4.0
91.05485	6.1
93.07044	10.0
95.04958	1.4
100.07627	0.3
100.11242	1.4
103.05468	6.9
105.04520	0.8
107.04968	1.7
110.06059	0.7
110.72981	0.3
111.04456	0.6
117.03382	8.2
119.04926	0.7
121.06503	55.6
125.92744	0.2
128.07094	0.3
135.04414	14.3
137.05995	0.4
138.09143	4.4
141.11484	1.3
145.02841	12.0
147.04427	2.1
163.03897	100.0
164.07011	0.3
180.06535	1.0
182.15414	1.2
186.05495	0.3
199.18027	0.6
204.66418	0.4
210.14867	0.9
218.66219	1.6
227.17552	0.3
263.10580	0.2
268.19531	0.3
282.19418	0.8
300.12292	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04272	0.6
68.05035	7.6
70.85599	1.2
81.04556	1.1
81.80858	0.5
82.06581	1.5
83.06116	1.1
88.50103	0.5
95.06102	3.6
95.20628	0.5
96.06881	14.7
97.07670	4.8
103.05473	13.6
107.06085	1.7
109.07652	100.0
124.08723	4.4
125.07107	1.1
126.10285	21.5
131.04942	41.6
135.05571	2.8
153.06601	13.0
154.31854	0.6
170.09270	16.9
170.10689	1.0
185.58073	0.5
225.79616	0.5
244.28850	0.4
254.12856	1.0
256.14459	9.2
282.12424	1.9
300.13449	88.9
301.13739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05359	1.0
52.57488	1.0
56.96564	5.7
70.95866	1.9
71.50876	1.1
71.95229	1.8
72.72062	1.0
73.59877	1.0
74.49686	1.2
83.04971	1.5
98.97588	100.0
99.04417	1.3
101.00864	2.0
102.00945	1.3
104.02479	2.1
112.87986	1.3
116.98627	47.9
119.01900	7.4
120.02029	4.5
121.01706	2.0
122.66529	1.1
134.99664	16.3
137.02887	1.4
140.00185	1.9
143.05431	1.4
144.05637	2.3
145.03432	1.5
146.03537	3.7
147.05031	1.4
148.05095	2.7
149.61867	1.0
153.00784	1.4
155.07018	6.0
156.07413	4.3
158.01241	2.0
158.85527	1.1
162.06750	3.2
163.04562	1.3
164.04639	3.0
170.07254	1.5
176.08369	4.6
177.00914	4.4
178.01051	10.1
179.00705	4.8
184.00024	1.4
185.06599	1.5
186.06712	5.0
188.08316	7.7
189.06148	2.9
190.06236	6.4
192.94722	1.9
196.05199	1.3
202.01057	4.0
202.09979	1.4
204.07658	1.7
205.02304	4.5
212.04742	3.0
213.06030	1.4
214.06186	3.7
214.10072	2.4
219.02017	17.0
220.02121	66.9
221.01724	7.4
230.05814	1.3
232.07320	1.9
234.95828	2.5
235.03297	3.6
240.98624	5.6
245.01657	1.4
252.96962	5.1
256.07492	2.8
256.10941	4.1
257.96692	2.6
258.08838	3.1
258.99741	82.3
259.99948	1.4
263.02878	10.1
272.94647	1.4
276.04288	1.7
276.97122	8.2
277.00809	87.5
277.04385	14.9
282.01288	2.2
283.00015	1.8
294.97897	5.1
299.94440	1.6
299.97821	26.3
300.02679	2.7
300.09961	81.9
300.97583	3.1
301.01077	3.4
317.98984	1.7
318.10977	4.9
318.19522	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2583
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.03458	2.9
53.03933	3.0
53.38295	2.9
55.05514	65.9
56.96559	4.8
57.03434	8.3
57.07081	34.6
67.05506	48.4
69.07071	100.0
71.04975	6.0
71.08620	15.4
71.51911	3.0
71.80722	2.6
79.05483	13.4
81.07059	65.1
83.04974	4.3
83.08160	4.6
83.08624	74.3
85.06541	5.7
85.10191	5.0
91.05479	14.8
93.07053	24.0
95.08612	65.9
97.06541	12.5
97.10178	67.3
98.97567	12.9
105.07024	11.5
107.08591	15.7
109.06489	3.5
109.10162	28.2
111.08043	3.7
111.11729	25.5
116.98620	7.2
119.08584	11.3
121.10159	24.5
123.08046	6.9
123.11716	10.6
125.09643	3.4
125.13279	8.0
125.53849	2.8
133.10097	18.5
135.11720	20.2
137.09650	5.7
137.13246	7.1
139.11208	5.4
147.11687	14.3
149.13264	12.6
151.11192	6.6
151.14755	4.5
153.12730	3.1
161.13217	9.8
163.14796	9.4
165.12743	3.3
165.16475	3.7
167.14305	5.1
171.13823	3.0
175.14850	6.7
179.14284	6.5
179.17874	3.2
181.01332	4.8
181.15952	4.3
189.16312	5.8
193.15819	6.3
203.17851	3.5
245.22679	23.9
263.23737	28.8
267.12048	9.1
275.97699	4.1
281.24695	18.7
284.03159	12.1
299.05496	33.8
299.09189	6.4
299.14670	3.3
299.20248	5.4
299.25870	27.5
299.30896	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	299.2582
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05514	46.0
57.07080	79.2
62.06099	32.8
64.25635	4.6
67.05184	5.5
67.05508	50.8
69.06184	5.4
69.07074	76.8
71.08636	91.7
72.24256	4.6
79.05482	20.4
81.07059	100.0
83.08624	67.5
84.62931	4.3
85.10178	22.8
91.05478	19.4
93.07055	22.9
95.08620	91.4
97.06503	7.1
97.10187	57.7
105.07021	17.0
107.08574	13.9
109.10163	38.2
111.08054	10.2
111.11052	4.9
111.11699	29.1
119.08588	11.8
121.10161	21.2
123.08065	6.8
123.11693	21.4
125.13241	9.0
133.10152	20.6
135.11685	8.6
137.13213	10.8
139.11130	6.8
141.12746	20.9
147.11697	21.4
149.13202	8.8
151.14789	7.6
155.14299	30.8
161.13272	8.1
163.14868	10.7
164.89058	4.5
175.14890	6.4
179.14432	6.9
181.01263	5.1
189.16396	9.4
193.16011	5.2
232.95705	5.6
245.22633	23.7
253.25308	10.6
263.23758	26.5
267.12015	12.4
271.42957	5.5
281.24710	11.9
284.03299	7.3
299.05508	48.4
299.09479	13.7
299.28271	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	299.2582
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
55.05507	51.5
56.96560	8.8
57.07077	86.4
59.04992	4.7
63.09312	3.9
67.05177	6.5
67.05507	68.4
68.14417	3.7
69.03432	6.5
69.07070	63.7
69.66084	6.4
69.66489	15.1
69.78094	3.7
69.78511	4.2
71.08631	96.9
73.06555	4.6
77.00903	4.4
79.05495	25.0
80.05813	3.7
81.07058	100.0
83.08622	51.4
85.06548	7.2
85.10204	25.1
91.05461	16.5
93.07038	26.2
95.08604	86.7
97.06537	5.3
97.10175	45.3
98.20807	8.4
98.97609	20.0
99.08092	5.7
105.07031	13.5
107.08614	20.6
109.06543	4.1
109.10159	42.3
111.08076	6.4
111.11742	19.5
116.98641	5.8
119.08578	13.5
121.06498	16.2
121.10142	18.7
123.08122	4.1
123.11739	25.2
125.13259	11.2
129.09196	3.7
133.10121	18.4
135.11752	9.7
137.09628	8.9
137.13257	11.6
139.11217	4.5
141.12726	26.7
147.11681	17.1
149.13251	5.6
151.11214	5.2
151.14787	4.5
155.14284	31.3
161.13286	12.3
163.14841	8.6
165.12663	5.6
165.16385	4.0
167.14307	5.5
175.14827	4.4
179.14279	7.7
179.17992	3.8
181.01344	8.8
235.24202	7.0
243.14420	3.8
245.22632	31.8
252.96457	6.8
253.25244	16.4
263.23657	29.6
267.12100	11.0
275.97906	5.7
281.26715	21.6
282.28000	4.8
284.03174	33.8
299.05563	89.8
299.09470	13.9
299.14682	4.1
299.22430	29.6
299.25864	27.9
317.19556	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	299.0916
Annotation	Puerol A
Peak:m/z	Relative Intensity
53.03901	0.7
54.92268	0.3
55.01839	0.4
57.07021	0.4
65.03897	0.7
67.05467	0.6
68.99751	0.4
69.07016	0.6
70.02638	0.8
70.03024	0.7
70.06523	0.5
72.08080	0.6
81.03423	4.0
81.06982	1.2
84.08075	0.4
91.05399	1.2
93.07003	0.6
95.04918	0.5
95.08530	0.9
98.97499	1.2
103.05400	0.6
105.03308	1.6
105.06976	0.8
107.01245	0.7
107.08557	0.5
109.10098	0.8
111.04414	0.5
116.98613	0.7
119.04910	0.5
119.08497	0.5
121.02878	13.0
121.10081	0.4
123.00791	5.3
125.09541	0.4
136.06042	0.4
137.02269	0.9
137.05927	0.5
139.03876	0.7
149.02354	6.3
151.03851	0.4
157.06464	0.4
161.09560	1.6
165.07001	0.5
167.03342	0.8
167.08484	0.7
177.07010	0.6
179.03432	2.5
181.01280	0.9
183.11600	0.4
189.12762	0.4
195.08005	0.4
197.04361	1.3
197.05983	0.5
210.06715	0.4
217.37840	0.3
223.07466	1.1
225.05507	0.6
238.06259	2.0
241.04947	0.5
243.06415	0.5
251.07047	32.9
252.96375	0.4
253.08705	0.7
265.04898	0.6
266.05710	1.5
267.12131	1.0
269.04449	3.2
271.05984	0.6
275.98001	0.6
281.08090	100.0
282.08292	0.8
284.03198	2.9
285.21933	0.4
299.05527	34.5
299.08951	1.2
299.20123	1.3
300.05902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0917
Annotation	3-Hydroxy-3',4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
50.09892	0.3
53.03925	0.2
53.13913	0.3
55.05486	0.3
56.96566	0.4
60.60543	0.2
62.36304	0.2
63.25998	0.2
67.05476	0.7
69.07069	0.4
69.42366	1.7
72.08155	0.3
79.05469	1.0
81.07043	0.7
89.03902	1.1
91.05479	1.4
93.07044	0.5
95.04944	0.6
95.08578	0.7
98.21472	0.5
105.03386	0.7
105.07075	0.3
107.01237	0.2
107.04939	1.1
107.08633	0.4
109.06536	0.3
109.10182	0.3
110.03642	0.5
112.70599	0.3
119.04965	0.2
119.08562	0.3
121.02854	1.0
121.10172	0.4
122.03654	0.2
123.04384	0.4
125.02318	0.4
125.06001	2.8
127.09473	0.2
133.02808	1.2
135.08037	0.3
135.14677	0.2
137.02303	1.1
137.05994	0.5
138.03096	1.0
138.06720	0.8
140.14105	0.2
143.08490	0.3
145.02858	17.6
147.11636	0.4
149.02342	1.4
153.05450	2.0
153.06964	0.3
157.06480	0.4
159.11713	0.3
165.01860	2.2
168.05690	0.5
170.66862	0.2
171.04564	0.2
171.08096	0.3
171.11752	0.2
173.13234	0.3
177.01791	0.5
181.01309	0.5
181.04971	5.9
181.06514	0.6
182.07179	0.5
183.08130	0.3
185.05977	0.7
185.09656	0.2
195.02821	0.3
196.05162	0.6
196.93146	0.3
197.06017	0.5
199.07544	0.5
210.06688	0.3
211.07552	1.6
212.08307	1.1
213.05498	0.5
220.36497	0.3
225.05400	0.8
226.06436	0.3
227.06960	0.9
237.05730	1.4
238.06256	0.6
239.07005	0.6
240.07860	0.5
241.05042	0.5
243.10222	3.2
253.04955	0.9
253.19330	0.3
255.04086	0.4
255.06552	5.6
256.07352	0.9
265.05029	1.6
266.05600	0.3
267.06705	0.3
267.12100	0.8
269.04434	0.7
270.05197	1.3
271.06158	0.5
271.09622	2.2
281.08078	0.6
283.02951	0.4
283.06000	5.5
284.03519	0.4
284.06784	5.2
299.05527	11.9
299.09100	100.0
300.09402	0.8
313.43958	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0554
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
52.00261	0.1
55.05493	0.3
55.05722	0.1
56.96535	0.2
57.07042	0.1
60.04527	0.7
66.04704	0.2
67.05506	0.2
68.99791	0.3
69.07054	0.3
70.06585	0.1
71.11694	0.2
79.05480	0.2
81.07027	0.3
83.08597	0.2
83.91270	0.1
84.05063	0.1
90.04693	0.2
91.05465	0.3
92.02574	0.1
92.99708	0.1
93.07028	0.2
95.08588	0.4
98.97594	0.6
102.04677	0.2
105.03366	0.3
105.07000	0.3
109.10107	0.3
116.06192	0.2
116.98592	0.3
118.04165	1.7
128.06184	0.2
130.04123	0.2
131.04874	0.4
139.00270	0.6
141.06949	0.1
144.05682	0.5
145.02934	0.5
145.10146	0.1
147.11574	0.2
154.04126	0.4
155.04886	0.3
158.03619	0.9
160.01556	1.6
160.05150	0.2
161.02345	0.2
169.06508	0.1
171.04410	0.3
172.05193	0.7
178.02602	0.9
181.01357	0.3
182.03627	1.1
183.04465	0.5
184.05124	0.1
185.00787	0.2
185.02325	0.2
186.03151	0.9
187.03922	0.3
197.05846	0.1
199.03934	0.3
200.04701	1.4
202.02664	0.2
204.04128	0.3
210.03084	0.8
211.03792	0.7
212.04704	0.2
214.02577	0.9
215.03339	0.2
227.03444	0.2
228.01974	0.2
228.04169	3.6
232.03574	0.6
238.02576	0.7
239.03323	0.1
244.03777	0.1
252.96391	0.2
253.04959	0.6
255.02872	2.0
255.28992	0.1
256.03662	2.2
267.12146	0.2
271.05975	0.5
275.97818	0.1
281.04471	0.4
283.02454	0.4
284.03159	100.0
285.03394	0.8
298.27438	0.5
299.05511	87.6
300.05838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.055
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
53.00303	0.3
53.03939	0.3
55.05501	0.3
56.96525	0.2
60.49687	0.1
65.03938	0.3
67.01867	0.6
67.05494	0.3
68.99784	1.1
69.03414	0.4
69.07066	0.3
70.06593	0.3
70.78583	0.2
71.52048	0.3
72.08138	0.2
77.42513	0.2
79.05494	0.4
81.03416	0.2
81.07045	0.8
81.34673	0.2
83.01315	0.3
84.08158	0.2
85.02909	0.5
85.06512	0.2
85.74990	0.2
89.03897	0.6
91.05482	3.9
93.07032	0.5
95.01319	0.7
95.04943	0.3
95.08591	0.5
97.02892	0.7
103.05470	2.0
105.03390	0.3
105.07016	0.8
107.01312	0.6
107.04980	0.5
107.08584	0.5
109.02868	0.2
109.10159	0.4
111.00792	0.4
111.04462	0.3
115.05444	0.5
117.07007	0.4
119.04928	1.8
119.08593	0.5
121.02864	0.4
121.10165	0.3
123.00801	3.2
125.02349	0.6
128.06219	0.3
129.07016	0.9
129.52405	0.2
131.04924	0.4
131.08553	0.4
133.02838	0.7
133.06482	0.3
133.10124	0.4
134.06834	0.2
137.02350	0.4
137.05951	0.5
139.05421	0.8
141.07008	1.0
143.04939	0.3
145.02852	6.1
145.04013	0.3
145.06479	0.5
145.10156	0.2
147.04399	2.3
147.11664	0.2
151.00262	1.8
153.01840	1.8
155.04922	0.7
157.06459	1.2
159.04419	0.4
159.11705	0.3
167.04958	0.4
168.05748	0.2
169.06485	1.0
169.10104	0.3
171.04407	0.9
171.11703	0.3
173.06061	0.4
177.01819	0.7
181.01323	24.5
183.08061	0.3
183.11681	0.2
185.06009	1.9
193.01335	0.4
195.04399	1.5
196.05183	0.3
197.05974	1.3
197.13271	0.4
199.02332	0.3
199.03993	0.6
199.14844	0.2
211.07619	0.4
211.14679	0.2
213.05443	2.1
213.12897	0.2
215.06902	0.3
223.03894	1.2
224.04930	0.2
225.05469	0.8
239.17964	0.3
241.04973	2.1
243.06543	2.9
248.40027	0.2
251.03358	0.3
253.04961	1.1
263.26303	0.2
267.12204	0.3
269.04486	1.7
271.06006	3.2
271.09015	0.2
272.47849	0.2
281.04437	2.0
284.03021	0.4
299.05508	100.0
299.20114	1.5
300.05862	0.6
315.20502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0551
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
51.51577	0.2
53.00307	0.3
53.03944	0.3
55.01878	0.4
55.05499	0.3
56.96548	0.3
57.07071	0.3
62.22876	0.2
67.01848	0.6
67.05497	0.6
67.18575	0.2
68.99807	1.2
69.03427	0.3
69.07068	0.4
69.26316	0.6
69.26728	1.2
70.06603	1.7
72.08144	0.5
79.05495	0.4
81.03381	0.2
81.07055	0.8
82.91087	0.2
83.01339	0.3
83.08628	0.3
84.08137	0.6
85.02927	0.4
86.09708	0.9
89.03905	0.6
91.05489	4.2
93.07056	1.2
93.07568	0.2
94.07334	0.2
95.01331	0.5
95.04948	0.3
95.08601	0.7
97.02923	0.5
98.63413	0.2
98.97579	0.5
103.05463	2.5
105.07039	0.8
107.01316	0.6
107.04974	0.5
107.05732	0.2
107.08589	0.6
109.10145	0.6
110.07206	0.2
111.00845	0.2
112.11275	0.3
115.05427	0.4
116.07098	1.8
117.07013	0.4
119.01961	0.2
119.04937	2.0
119.08588	0.5
120.08060	0.2
121.02885	0.5
121.06534	1.7
121.10142	0.3
122.06847	0.9
123.00804	3.6
125.02341	0.4
129.07007	0.8
131.04922	0.3
133.02869	0.6
133.10086	0.3
135.04414	0.2
135.07961	0.2
136.06238	0.2
137.05989	0.5
139.05444	0.7
140.10689	0.5
141.01888	0.3
141.06987	0.7
143.04958	0.3
143.08549	0.3
145.02847	6.6
145.06485	0.5
147.04427	1.9
147.11656	0.2
151.00278	2.2
153.01848	2.0
155.04910	0.7
157.06438	1.4
159.04401	0.7
163.03929	0.3
165.01921	0.3
167.04950	0.6
169.06543	1.3
171.04381	0.6
171.11758	0.2
173.06001	0.3
177.01813	0.7
178.04944	0.6
179.05280	1.0
181.01329	23.6
185.05994	1.8
193.01292	0.6
195.04387	1.1
195.08243	0.2
197.05898	1.2
199.03902	0.4
203.10692	0.2
205.02028	0.2
213.05525	1.6
215.07094	0.3
223.03880	1.4
224.04691	0.2
225.05486	1.0
241.04956	2.2
243.06503	2.9
251.03362	0.4
253.04958	1.1
253.16101	0.3
253.19357	0.2
267.12036	0.4
269.04532	1.6
271.06052	3.8
271.09064	0.2
281.04434	2.0
285.07422	0.3
299.05515	100.0
299.19934	1.3
300.05884	0.6
300.09546	0.2
322.82187	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.055
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
54.88947	0.3
55.01861	0.3
59.15286	0.4
65.03941	0.3
67.01888	0.3
68.06329	0.3
68.99786	1.4
69.86033	0.3
70.02797	0.6
70.03191	0.6
75.93584	0.4
81.03410	0.5
85.02888	0.4
87.66395	0.3
89.03929	0.6
91.04971	0.5
91.05484	5.1
95.01322	0.9
96.90702	0.3
97.02868	0.5
103.05479	0.6
103.40186	0.3
108.49310	0.3
119.04926	1.1
121.02880	0.6
123.00784	1.2
125.02352	2.9
129.06987	0.8
131.04958	0.5
133.02879	0.6
137.02373	0.5
138.03156	0.3
139.05457	0.6
141.06955	0.9
145.02843	6.0
151.00272	1.4
153.01830	1.3
155.04947	0.5
157.06480	1.6
159.04333	0.3
165.01866	0.4
167.04901	0.4
169.06476	1.1
171.04498	0.7
173.05936	0.5
177.01778	0.8
181.01326	25.2
181.06285	0.5
185.06000	2.8
193.01379	1.2
195.04379	0.9
197.05962	0.9
199.03929	0.8
204.20822	0.4
206.02156	0.6
213.05467	2.2
223.03955	0.6
225.05499	1.0
241.04964	4.6
243.06520	2.4
253.05103	2.0
269.04767	0.5
271.06036	4.5
281.04492	5.1
299.05505	100.0
300.05762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65061	0.2
53.00307	0.3
55.01873	0.3
65.03931	0.2
67.01858	0.8
68.99800	1.1
69.70533	1.1
73.77318	0.2
85.02908	0.7
85.29105	0.1
89.03909	0.6
91.05483	4.0
95.01324	0.9
97.02847	0.3
98.37147	0.2
103.05463	2.6
105.03443	0.2
107.01324	0.7
115.05435	0.4
117.06944	0.3
119.04955	1.7
121.02848	0.4
122.99964	0.3
123.00796	3.8
125.02357	0.7
128.06235	0.2
129.06992	0.7
131.04906	0.5
131.91345	0.2
133.02846	0.7
137.02303	0.3
139.05432	0.7
141.01889	0.2
141.07014	1.0
143.04933	0.2
145.02849	6.9
145.06509	0.3
147.04422	2.2
151.00278	2.0
153.01822	2.6
155.04897	0.7
157.06487	1.2
159.04367	0.3
167.04947	0.5
169.06519	1.1
171.04402	0.8
173.05946	0.2
177.01814	0.7
181.01323	23.1
185.05992	1.9
193.01317	0.5
195.04382	1.2
197.05946	1.1
199.02307	0.3
199.03929	0.5
213.05519	1.6
223.03885	1.5
225.05415	0.8
226.01219	0.2
241.04980	1.8
243.06561	3.2
251.03314	0.5
253.05005	0.9
269.04440	1.5
271.03113	0.2
271.06012	3.4
281.04474	1.8
299.05502	100.0
300.05923	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
52.70092	0.6
55.05513	12.1
57.07077	5.1
58.15461	0.6
60.04525	1.5
62.06092	100.0
66.18432	0.7
67.05498	4.6
69.07076	13.7
69.37098	5.4
70.02944	4.1
70.14867	0.7
71.08648	2.2
74.96023	0.7
79.05502	2.8
81.07058	4.4
83.08624	10.1
85.10200	1.1
88.03998	2.1
93.07024	3.7
95.08616	4.4
97.06516	1.7
97.10181	6.0
98.97610	2.0
99.04435	0.9
107.08602	2.4
109.10178	2.1
111.11720	1.2
116.98641	1.3
117.17119	0.7
119.53577	0.7
121.10156	3.4
135.11705	2.8
136.06192	2.0
137.20575	0.8
149.13257	1.6
167.48773	0.7
168.26218	0.7
177.36256	0.7
178.05023	0.9
180.93625	0.7
180.95126	0.8
191.08488	0.9
208.11285	1.6
219.08025	0.9
219.21039	0.9
236.10683	0.7
251.09415	1.1
264.10059	0.9
265.86130	0.8
266.11823	8.6
274.97482	2.4
280.26422	4.3
281.24783	5.9
292.98746	1.5
298.14349	5.0
298.27423	58.4
299.05237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0552
Annotation	Sophorophenolone
Peak:m/z	Relative Intensity
53.03991	0.2
53.05024	0.1
55.01910	0.3
55.05568	0.6
56.96605	0.3
57.52924	0.1
59.05035	0.2
65.04004	0.5
67.01908	0.3
67.05559	0.3
68.99837	0.3
69.03468	0.2
69.07122	0.5
69.46641	1.2
74.45472	0.1
79.01872	0.2
79.05548	0.3
81.03481	0.4
81.07114	0.3
83.05041	0.4
83.08654	0.2
84.08208	0.2
84.24302	0.1
91.05533	0.3
93.07119	0.5
95.04996	0.2
95.08659	0.4
97.06620	0.2
98.97658	0.4
101.06104	0.6
103.01900	0.3
105.03455	0.3
105.07080	0.3
107.01363	0.2
107.08669	0.3
111.04441	0.9
116.98709	0.2
117.38707	0.1
119.05012	0.3
119.08635	0.2
121.02898	1.3
123.00793	1.2
127.05526	0.2
129.03447	0.4
129.07106	0.2
133.02888	0.3
133.10199	0.2
135.11737	0.3
139.04025	0.2
141.06978	1.0
145.02869	0.3
147.06506	0.2
149.02452	0.5
150.25905	0.1
152.06221	0.9
153.07111	0.6
153.12798	0.3
155.04913	0.2
157.06552	0.3
161.02417	0.4
165.01834	0.2
168.83716	0.1
169.06494	1.4
171.04434	0.9
179.04947	0.2
181.01349	0.3
181.06532	1.1
183.04366	0.2
185.06102	0.3
197.04407	0.2
197.06004	2.7
199.03954	1.2
199.14900	0.2
207.04680	0.2
220.38507	0.2
223.04056	0.2
225.05487	3.3
225.07628	0.2
227.03369	1.3
243.06659	0.3
245.97646	0.2
251.07097	2.5
253.04979	3.6
263.03348	0.3
267.12088	0.4
269.04483	0.7
271.05994	0.3
280.26495	0.2
281.04477	100.0
281.07901	8.0
282.04791	0.8
284.03207	0.5
298.27475	0.2
299.05515	9.8
299.08966	0.4
299.20084	0.5
322.32175	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	298.2741
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
52.14316	0.7
55.01873	1.0
55.05515	11.1
55.36160	0.8
56.96560	0.9
57.03429	1.0
57.07072	5.4
62.06091	100.0
62.46466	0.8
67.05508	7.1
69.07069	12.0
71.08612	2.8
75.88145	0.7
79.05490	4.4
81.07059	8.5
83.08625	8.9
86.14677	0.9
88.03997	1.6
91.04349	0.8
91.05485	1.2
93.07047	7.1
95.08611	6.0
97.06525	3.1
97.10155	4.0
98.06069	1.4
98.97598	6.8
107.04942	0.8
107.08604	4.0
109.10150	2.6
111.11709	1.4
116.98619	3.2
121.10155	5.1
125.69630	0.8
134.99625	0.8
135.11739	4.2
136.06161	2.8
137.13235	0.9
149.13297	1.3
163.03978	0.9
191.08543	2.0
208.11266	1.6
219.21097	1.9
232.96495	0.9
236.10747	1.1
236.28302	0.8
239.11160	0.8
266.11780	11.0
274.97501	4.1
280.23676	1.6
280.26382	4.6
281.24738	4.4
292.98495	2.8
297.99316	1.4
298.11160	1.5
298.14404	4.4
298.27408	66.0
298.34628	3.1
298.66119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2741
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03930	1.4
55.01862	0.5
55.05512	11.5
56.05035	6.1
57.07076	3.6
58.02952	1.9
60.04526	6.5
65.03939	1.3
67.04246	0.7
67.05508	16.4
68.05024	2.6
69.07068	11.2
71.08617	1.4
72.04514	1.3
74.06054	0.9
75.40045	0.5
79.05495	10.7
80.05013	2.3
81.06599	0.8
81.07058	14.6
82.06588	7.2
83.04959	0.6
83.08626	6.1
83.46914	0.5
84.08148	1.3
85.10178	0.5
86.06063	2.2
91.05471	7.0
93.07046	7.4
94.06563	2.9
95.04946	0.7
95.07352	1.0
95.07981	0.6
95.08607	12.5
96.08137	1.5
97.06503	0.9
97.10159	3.2
98.06048	1.2
100.07616	2.3
102.26801	0.5
105.07049	3.6
107.08595	3.2
108.08146	1.0
109.06525	0.8
109.10171	3.8
112.07590	0.9
119.08582	3.1
120.13194	0.5
121.10156	3.0
122.09675	1.0
123.11698	1.0
133.10152	2.5
135.11694	1.7
136.06160	0.5
137.76765	0.5
147.11700	0.9
149.13274	0.6
189.75345	0.6
191.17966	1.0
250.25328	7.1
262.25302	3.9
266.11786	1.5
268.26346	0.5
280.26361	100.0
281.26816	0.8
284.03079	1.9
298.14291	0.5
298.27429	5.2
298.30951	0.9
299.05457	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	298.2743
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
53.03933	0.4
55.05514	9.7
55.89371	0.4
57.03426	0.5
57.07079	4.1
57.78873	0.4
61.15272	0.4
62.06090	100.0
66.37368	0.4
67.05508	8.8
68.05832	0.9
69.07069	14.0
71.04995	0.5
71.08634	5.7
71.53019	0.5
72.08969	1.7
73.55704	0.5
79.05494	3.6
81.07060	11.1
82.07399	1.3
83.05000	0.4
83.08618	7.5
83.09061	0.7
85.06563	0.6
85.10173	0.7
91.05493	1.7
93.07037	4.2
93.58510	0.4
94.07337	0.4
95.08609	7.4
96.08958	0.8
97.06552	0.9
97.10170	3.7
98.06070	0.8
98.97588	2.9
99.08098	3.8
100.08449	1.5
105.07062	0.7
107.08601	2.6
108.08916	0.4
109.10188	3.5
109.39543	0.4
111.08097	0.8
111.11722	1.4
113.09655	0.7
116.98623	1.4
119.08589	0.7
121.06544	0.7
121.10151	4.7
122.10487	0.7
123.11725	1.2
127.11201	0.6
134.99638	0.5
135.11691	2.5
136.06241	1.2
137.13255	1.3
146.10452	0.4
147.11707	1.3
148.12090	1.6
149.13289	1.1
162.10001	0.4
163.14844	0.7
163.99706	0.4
164.15182	0.6
165.12756	0.4
166.13193	0.9
169.12331	0.6
182.16254	0.6
191.08466	0.5
208.11192	0.8
219.08115	0.5
219.21097	0.8
229.54523	0.4
236.10812	0.5
237.22214	0.7
244.21466	0.6
249.09125	0.6
256.96552	0.6
262.22510	1.1
264.10229	0.5
266.11728	5.5
274.97568	2.6
280.23550	5.5
280.26440	3.0
281.24765	7.6
292.98569	1.0
298.14337	3.0
298.27417	31.4
299.05826	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1437
Annotation	Anibacanine
Peak:m/z	Relative Intensity
53.03944	1.1
54.38169	0.3
60.49434	0.3
63.02365	0.5
79.05497	4.6
88.90990	0.3
89.03920	4.6
91.05483	1.3
91.35350	0.3
95.04961	0.9
103.05479	4.2
105.07037	47.6
106.04156	0.4
111.76492	0.3
117.03385	22.1
119.04919	0.9
121.06512	0.5
131.04985	0.4
134.03648	1.7
135.04398	1.1
136.05177	1.3
136.06168	0.7
145.02852	62.1
149.05978	6.5
151.07520	1.2
158.06017	0.4
162.03183	0.5
163.03922	1.3
170.94341	0.3
177.05478	100.0
178.04944	0.4
186.05544	1.6
208.11176	0.5
228.38676	0.3
229.02740	0.3
229.05057	0.3
245.10364	0.3
256.14655	0.6
257.10461	0.6
266.11740	2.0
275.11530	1.1
298.14401	62.8
299.05475	2.1
299.08871	0.5
299.14743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
51.87314	0.2
53.03941	0.3
54.10284	0.2
61.29982	0.2
65.03951	0.2
67.05498	0.4
70.07400	0.2
70.11723	0.2
71.51647	0.2
77.03938	0.4
79.05486	0.4
80.35764	0.2
81.07059	0.7
83.59647	0.2
91.04907	0.3
91.05481	5.6
93.07026	0.3
95.04978	1.1
95.08577	0.6
96.08961	0.3
103.05466	25.9
105.07023	0.5
109.10161	0.3
119.04939	4.3
120.04443	0.4
121.06473	0.6
131.04927	100.0
136.05185	0.7
136.06180	1.6
137.05956	0.4
145.02872	0.6
147.08116	0.2
148.03934	0.3
151.07545	7.7
152.01070	0.2
168.10164	0.5
177.05441	0.5
178.04944	0.4
179.01726	0.3
189.23671	0.2
191.08531	0.3
193.10872	0.2
194.02303	0.5
208.11214	0.4
236.10641	0.2
248.03381	0.4
264.10086	0.3
266.11816	2.8
268.54645	0.3
280.23514	0.9
281.11819	0.2
298.07132	0.7
298.11005	0.5
298.14340	6.1
298.17587	0.4
298.22116	0.3
299.09048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1439
Annotation	Anibacanine
Peak:m/z	Relative Intensity
53.03948	0.7
55.05503	0.5
63.93126	0.4
67.05489	1.3
69.07069	0.8
69.85188	2.0
79.05133	0.5
79.05503	4.8
81.07051	1.2
82.07377	0.6
89.03911	5.5
91.05479	1.1
93.07008	0.5
95.04965	0.9
95.08608	1.2
97.10178	0.4
98.21494	0.7
103.05461	3.7
105.07032	46.8
106.04178	0.5
108.08929	0.4
109.10149	0.6
117.03383	21.3
119.04945	1.1
121.06488	1.0
134.03598	2.0
135.04417	1.6
136.05188	1.3
136.06198	2.6
145.02844	60.4
147.04405	0.7
149.05992	6.8
151.07567	1.1
162.03130	0.6
163.03899	1.8
177.05472	100.0
178.04991	0.6
186.05502	2.3
191.08519	0.5
208.11252	0.8
219.08000	0.5
225.06729	0.4
236.10820	0.5
249.09212	0.7
266.11758	6.1
280.23462	2.4
281.08206	0.5
284.64648	0.4
298.08054	2.3
298.14377	60.9
299.05679	0.5
309.98941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.6
55.05507	2.8
56.05033	2.1
56.96562	2.6
57.03439	4.8
57.43509	1.1
58.02957	1.8
59.03743	1.6
60.04525	1.6
60.05620	1.3
61.01135	3.5
61.02921	2.3
67.82066	1.1
69.03436	9.8
69.07056	1.2
69.40872	2.2
69.41274	8.0
70.06593	18.0
71.01357	1.5
71.06916	1.2
72.08147	6.1
73.02915	2.4
74.06078	2.3
75.02699	1.5
79.05489	3.4
81.03396	3.4
81.07077	1.8
84.04504	10.2
84.08148	13.9
85.02911	13.9
85.06503	1.2
86.09727	9.1
87.03210	19.8
87.04452	3.7
88.03980	5.1
90.05574	2.0
91.05480	29.3
93.07031	2.0
95.06097	1.8
97.02903	9.2
98.97589	3.3
99.04418	1.8
101.05969	1.5
101.41394	1.2
102.05534	1.5
103.05476	16.3
105.07034	7.2
107.04959	7.1
108.04482	3.4
109.02889	1.4
109.06540	1.4
110.07195	6.7
112.03973	3.3
112.08788	1.4
114.05508	4.1
115.03959	2.6
115.05464	1.5
116.07018	1.2
116.98615	1.3
117.06995	1.9
118.01836	1.3
118.06538	2.3
119.01878	1.2
119.04904	3.4
119.07184	1.4
120.07258	2.8
120.08115	55.1
121.06493	2.1
121.08405	1.8
122.06044	2.2
122.08502	1.3
124.03910	1.5
124.07586	1.9
124.08398	1.2
128.07063	1.4
129.07007	2.0
129.10231	5.2
130.06537	20.0
130.08617	1.5
131.04913	5.8
131.05786	17.1
132.08104	24.9
134.06018	1.6
134.09628	1.5
136.06195	80.5
136.07445	3.4
137.06013	7.6
144.08078	14.1
145.04964	3.8
146.09660	1.4
148.08684	2.4
149.05991	4.1
150.05565	2.3
150.06743	1.7
151.07520	1.6
152.05696	2.7
155.11621	1.2
156.08113	15.9
156.12489	1.2
162.05440	1.8
162.09114	6.3
163.03999	1.8
163.09457	4.4
164.07140	1.5
165.09009	2.1
166.07277	4.5
166.08626	8.2
166.09796	3.3
168.08055	2.2
170.09621	4.5
172.07693	1.6
174.09167	4.1
176.07091	2.9
177.05428	2.1
178.09802	1.9
180.08076	1.6
191.08826	1.7
191.11882	1.8
192.12091	3.7
193.10876	9.1
198.09082	11.5
201.12352	1.8
213.71704	1.5
216.10216	13.4
223.11606	3.4
234.11267	72.1
239.11386	17.8
244.09673	5.5
249.09079	2.9
252.08707	2.9
252.12236	5.5
252.14532	12.9
262.10751	59.7
266.11731	14.2
270.07846	1.9
276.07532	2.6
280.11807	100.0
298.07312	4.3
298.09988	3.6
298.14871	10.2
298.18600	5.5
300.06165	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1076
Annotation	Norcularicine
Peak:m/z	Relative Intensity
51.02387	0.4
53.03948	2.7
55.01865	0.9
56.05033	1.3
56.66130	0.3
56.96560	0.4
57.05344	0.4
61.01144	0.6
69.07090	0.4
69.49377	2.4
70.06593	1.7
72.08160	2.1
77.03931	0.7
80.05028	0.5
82.02934	0.7
84.08134	1.1
86.09717	2.3
91.05483	10.1
93.07046	15.5
95.04456	0.3
95.04983	2.3
103.05471	11.2
104.05328	1.5
105.04518	0.9
105.05697	0.3
108.04479	2.4
110.07162	1.7
120.08101	1.3
121.06506	78.8
122.06044	0.5
122.06855	0.4
129.10260	0.6
130.02505	0.7
136.05322	0.4
136.06194	2.0
136.07573	0.3
137.06007	0.5
145.02821	0.4
150.05473	0.7
151.07567	0.6
156.07724	0.5
160.03966	0.4
163.03906	0.7
171.14857	0.4
177.05408	0.4
178.05000	79.1
178.46974	0.3
191.08469	0.3
197.20132	0.3
201.12413	0.4
249.09276	0.4
266.09198	0.4
266.11838	1.6
291.66141	0.4
298.10745	100.0
299.10892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
55.05514	20.2
56.96555	9.1
57.03423	2.9
57.07069	7.7
67.05511	73.5
69.07078	23.0
71.04997	18.8
71.08611	4.6
71.52525	3.2
79.05496	23.9
81.07061	100.0
83.08618	14.0
85.06551	23.6
88.68909	2.0
91.05496	10.1
93.07050	19.4
95.04972	3.6
95.08611	93.6
97.06507	5.7
97.10185	12.1
98.97580	14.1
99.08124	11.7
105.07040	12.6
107.08599	17.0
109.10165	40.6
111.08079	4.0
111.11781	2.9
116.98618	6.9
117.07034	3.2
119.07845	2.4
119.08592	8.4
121.10145	22.8
123.08102	3.2
123.11710	19.4
125.09616	2.8
131.08594	5.3
133.10109	7.9
135.11713	10.4
136.06163	2.1
137.09587	3.0
137.13242	6.3
139.11183	2.4
145.10129	3.9
147.11681	9.9
149.13292	4.3
151.11200	2.3
151.14734	3.1
152.31522	2.0
159.11641	3.1
161.13307	11.7
165.12718	3.7
173.13333	2.8
179.14342	5.8
187.14857	4.4
197.65651	2.0
203.63803	2.0
221.10683	2.8
223.16862	2.7
227.42690	2.3
243.21176	6.0
256.15842	3.4
261.22058	11.2
262.17728	3.3
267.66586	2.4
274.97479	11.1
279.23260	21.9
285.18085	3.6
285.67880	3.0
292.98517	6.0
297.03705	2.3
297.06378	3.9
297.24359	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52385	0.4
55.01848	0.8
55.05486	0.7
56.05024	1.6
56.96557	0.5
57.03428	1.1
58.99583	3.1
60.04498	0.6
61.01160	2.5
65.03924	0.7
67.05502	1.0
69.03424	1.0
69.07045	1.0
69.48849	3.1
70.02944	0.9
70.06591	6.4
71.04975	0.5
72.08158	4.2
74.00668	13.7
74.06066	0.5
75.02690	0.9
76.02225	1.3
79.05479	0.7
81.03400	0.5
81.07050	0.6
83.04988	0.6
83.06097	0.5
84.04504	1.2
84.08156	3.5
85.02910	14.3
85.08479	0.6
86.00653	2.5
86.09717	7.9
86.99035	0.9
88.03997	2.9
89.03925	2.6
89.48824	0.4
91.05482	18.4
93.03389	0.6
93.07032	0.9
95.04963	3.9
97.02900	1.0
98.97572	1.4
100.02192	2.0
102.00131	34.5
103.05470	1.6
105.00109	0.7
105.07032	0.8
106.02908	0.7
106.07396	0.4
107.04958	0.9
107.41685	0.5
110.07176	3.3
111.04413	1.0
116.07072	0.7
117.03375	5.6
117.07022	0.7
119.04947	18.4
119.05798	1.0
120.00302	0.5
120.01172	15.6
120.08111	15.6
121.06539	1.0
121.08457	11.6
123.04409	0.6
123.08024	0.5
124.03972	1.0
125.05972	1.1
128.01634	0.8
129.10245	1.5
130.05014	1.0
131.03465	0.6
131.04903	0.6
131.08527	0.6
132.01161	5.2
134.03624	1.0
135.04410	0.6
135.08058	0.7
136.05212	5.2
136.06178	52.9
137.05956	4.3
139.08681	0.7
144.04440	1.2
144.38190	0.4
145.02847	16.8
146.02722	2.0
147.03326	0.6
148.00638	30.8
149.06001	2.9
150.05829	1.3
151.03922	2.3
151.07547	100.0
152.04279	1.9
152.07004	2.7
153.05438	0.6
156.07809	0.7
158.99696	0.6
161.04814	0.8
161.06102	0.5
163.04149	1.3
163.06282	0.9
163.07550	0.7
164.09341	1.1
165.05574	0.5
166.09834	0.7
167.10609	0.6
168.08768	0.6
168.10205	11.1
169.03270	0.8
174.02205	4.9
174.05505	0.6
176.07089	2.5
177.05476	50.9
178.05914	0.7
179.06012	2.0
185.44630	0.4
191.08501	0.6
192.10236	1.2
193.10844	1.2
208.07013	0.6
208.11284	0.7
210.05864	1.7
210.65924	0.5
212.07314	0.5
222.07648	0.6
223.19513	0.5
234.05896	1.8
234.11221	4.1
236.10677	0.7
237.58835	0.5
238.10767	0.8
239.11418	1.8
249.09227	0.6
252.06718	0.9
252.12312	19.5
256.06433	6.5
256.09103	0.8
262.10806	0.5
263.01434	0.5
266.11731	5.8
274.08035	0.6
280.06406	5.5
280.11880	0.8
298.07462	3.3
298.09702	2.5
298.12729	12.9
298.17987	0.6
313.59799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
56.96574	0.1
58.92378	0.2
61.01157	4.4
68.13000	0.2
69.03437	0.2
69.83584	0.4
69.83982	0.4
70.06600	0.5
72.08154	0.4
75.02712	2.3
83.90095	0.2
84.04487	0.2
84.08148	0.6
85.02892	0.2
86.06078	0.6
86.09709	0.4
91.05479	0.2
93.34790	0.1
94.04074	0.3
97.02916	1.4
97.37182	0.1
98.97586	0.3
99.68713	0.2
103.02168	0.2
103.89410	0.1
107.01616	0.2
110.07192	0.2
119.03551	0.8
120.08115	0.2
124.03976	0.3
129.10258	0.2
136.06197	100.0
137.04636	0.2
137.05910	0.4
138.05493	0.5
145.03191	1.2
163.04257	1.5
177.05516	0.2
193.10878	0.2
252.09972	0.2
258.82352	0.1
266.11902	0.4
296.53793	0.1
298.09717	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.61706	2.1
53.03947	5.1
55.01868	9.6
55.05513	57.7
57.03440	12.7
57.07078	20.6
67.05507	78.1
69.03426	5.0
69.07071	53.4
70.64894	2.7
70.65230	4.9
71.01347	6.8
71.04995	6.1
71.08637	15.2
78.75240	2.2
79.05501	29.9
79.07069	1.9
80.08293	2.0
81.07059	90.7
83.04973	8.3
83.08621	36.6
85.06540	7.0
91.05485	8.6
93.02035	2.1
93.07047	29.6
95.08607	74.5
97.06534	6.8
97.10176	44.4
99.08096	5.5
105.07032	7.5
107.08608	29.2
109.10160	43.5
111.08092	4.0
111.11738	3.2
111.14648	2.6
113.06015	2.5
113.09616	3.3
117.07029	3.3
119.08583	6.6
121.10153	18.1
123.11712	18.3
125.09627	27.9
127.11205	4.2
130.55521	2.1
131.08598	4.6
133.10118	5.3
135.08051	5.3
135.11696	26.4
137.13242	12.3
138.01857	2.5
139.11269	3.8
141.12756	5.9
143.10713	2.2
145.10127	5.5
147.11671	5.5
149.13255	7.4
151.11223	3.2
151.14830	3.1
153.09175	3.7
153.12779	11.9
155.10680	2.3
159.11682	4.8
161.13268	5.1
163.14856	3.3
165.12695	2.3
169.15846	13.1
171.10152	5.9
173.11794	2.7
173.13261	5.4
178.26242	2.0
179.14285	3.9
183.13817	88.5
187.14807	3.2
189.11261	20.5
191.14339	2.7
209.15488	2.9
212.90950	2.2
223.16884	3.9
233.22864	2.6
243.21121	12.1
251.23735	21.7
261.22125	30.5
279.23209	100.0
297.24246	14.9
312.89822	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.43871	1.3
52.53090	1.4
53.03928	2.7
55.05518	19.6
56.70731	1.3
57.03472	1.7
57.06822	1.4
57.07066	7.6
65.03934	2.4
67.05509	79.5
68.05840	1.8
69.07070	26.4
69.83534	8.3
71.05004	2.5
71.08632	5.2
79.05070	2.5
79.05499	29.7
81.07059	100.0
81.23849	1.5
83.04967	2.7
83.08624	12.0
85.06541	4.9
91.05473	13.9
93.06482	3.2
93.07049	42.5
95.04945	2.1
95.08614	78.7
97.06525	4.2
97.10164	7.2
98.97596	2.8
99.08069	2.7
100.99498	1.6
101.00153	1.6
105.07048	9.6
107.08598	30.8
109.06524	3.1
109.10168	25.5
111.08129	3.7
111.11705	2.7
113.66773	1.9
117.07011	6.0
119.08579	10.4
121.06491	2.7
121.09335	2.8
121.10154	34.0
123.08070	3.2
123.11713	16.3
125.09621	3.8
131.08580	14.9
133.10083	8.8
135.08095	7.1
135.11707	14.5
137.09648	2.0
137.13261	9.4
139.11244	2.6
140.96326	1.6
141.09058	1.8
141.12747	4.3
145.10167	10.0
147.11690	6.2
149.09636	11.3
149.13280	5.0
151.11200	3.5
151.14833	5.4
153.09114	8.2
153.12770	1.9
155.14311	3.8
157.54446	1.5
159.11714	6.1
161.13290	4.1
163.11185	6.9
163.14848	3.5
165.12743	4.4
167.10683	8.9
173.13226	5.9
175.14929	2.1
177.12714	4.3
177.16396	5.1
179.14311	4.3
181.12297	7.3
185.11693	1.8
187.14833	3.7
191.14334	3.0
195.13861	4.5
195.17412	2.4
209.15331	2.5
216.97495	1.6
219.21106	3.8
233.22548	2.7
243.21083	19.5
261.22107	10.8
274.97510	2.0
279.23187	27.6
292.65186	1.9
297.24258	3.2
313.69403	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.05519	10.6
57.03436	2.2
57.07080	3.3
67.05504	28.9
69.07069	11.2
69.93119	8.8
71.08637	100.0
75.59386	1.6
78.33200	1.7
79.05504	13.4
81.06602	2.9
81.07063	47.8
83.04982	4.4
83.08614	9.3
91.05492	14.5
93.07047	12.3
95.08610	28.3
97.06518	5.0
97.10166	4.2
98.21024	4.0
99.08100	83.7
105.07033	16.9
107.08614	11.9
109.10157	11.3
111.08086	2.3
113.09631	2.3
119.08584	11.5
121.10138	12.6
123.08106	2.2
123.11712	7.1
125.09597	2.3
127.11243	1.7
131.08580	4.2
133.10182	3.4
135.11693	8.1
137.13277	4.5
145.10127	4.4
147.11702	45.6
149.09665	2.2
151.14746	3.3
153.12755	8.2
161.68323	1.7
163.11179	8.8
163.14830	18.3
165.12796	16.2
167.14328	4.5
169.12271	2.9
173.13229	4.1
181.15878	9.7
233.22623	2.0
243.21158	14.0
251.23727	2.1
261.22174	26.5
279.23196	81.9
290.00735	2.0
297.24237	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03936	1.8
55.01884	3.5
55.05515	19.7
57.03422	3.0
57.07077	3.9
65.03941	1.5
66.48176	0.6
67.05508	56.7
69.03412	1.5
69.07071	30.5
71.04993	5.6
71.08603	0.9
71.12369	1.6
79.05499	22.6
79.05944	0.8
81.07059	72.8
83.04978	4.7
83.08622	11.8
85.06548	4.6
91.05479	8.6
93.07044	28.5
93.07639	1.5
95.04969	1.5
95.08611	66.2
97.06533	8.1
97.10165	8.1
99.08096	1.0
105.07041	6.2
107.08597	19.0
109.06504	1.7
109.10160	35.1
111.08073	2.6
111.11723	2.0
117.07023	2.7
119.08594	7.7
121.10143	19.9
123.08054	2.0
123.11711	15.4
125.09619	2.8
130.84859	0.6
131.08588	6.1
133.10130	7.3
135.08084	1.1
135.11694	13.8
137.09598	1.3
137.13235	8.3
139.11191	2.1
145.10133	6.1
147.11699	6.6
149.02322	0.8
149.09634	1.1
149.13263	6.1
151.11189	2.4
151.14799	2.2
153.12715	2.1
159.11684	3.5
161.13278	7.9
163.11214	1.2
163.14786	2.4
165.12755	3.0
165.16339	1.1
167.14412	0.8
173.11880	1.1
173.13269	6.1
175.14861	1.7
177.12723	1.6
177.16434	1.9
179.03258	0.7
179.14284	2.1
181.12282	1.1
187.13358	0.8
187.14761	3.2
189.16342	0.9
191.14326	1.1
193.15948	1.0
195.13820	2.1
201.16484	1.0
205.15891	1.4
209.15408	3.1
221.10732	0.9
223.16974	2.5
233.22626	1.5
243.21083	10.6
261.22165	26.4
279.23196	100.0
280.23740	1.0
288.08591	0.8
297.07465	2.7
297.24286	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	297.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.4
56.05032	2.2
56.96558	2.0
57.01765	0.7
57.03422	1.0
60.04517	2.7
60.05627	0.9
63.68960	0.7
66.66335	0.7
67.05499	1.1
68.05029	1.7
68.13467	0.8
69.03414	3.2
69.07066	1.7
70.06265	1.2
70.06599	15.0
71.04968	1.5
71.08621	0.9
72.08165	5.9
74.06052	1.7
79.05483	1.3
81.03452	0.9
81.07058	1.9
82.06575	1.3
84.04514	5.4
84.08158	9.1
85.02884	3.0
86.09702	2.8
87.04463	1.3
88.03986	2.4
91.05458	3.6
93.07047	1.6
94.06575	4.1
95.04984	1.9
95.08619	1.4
96.08128	1.7
97.02882	1.8
97.06493	1.2
98.97562	3.5
100.67886	0.8
102.05589	0.9
103.05416	0.8
105.07063	1.1
106.06560	1.5
107.04955	2.1
109.06497	2.0
110.07164	4.2
110.97556	0.9
115.08642	0.9
118.06544	0.9
119.04942	1.4
120.08131	6.2
121.10121	0.9
122.06034	8.5
123.04437	2.3
123.08078	1.7
123.11743	0.9
124.07594	9.0
125.05930	0.9
127.03917	1.1
128.07066	3.4
128.98535	1.1
129.10283	4.7
130.05016	0.9
130.06538	1.0
130.08653	11.3
131.04991	0.8
132.08118	1.3
134.05983	1.3
136.06180	2.3
136.07602	4.8
137.05974	5.2
139.07484	0.9
148.07610	1.2
149.05911	0.9
150.05507	7.1
150.09108	1.3
151.03963	1.2
151.07529	0.9
152.07062	3.1
156.07703	1.0
156.10222	0.9
162.09151	38.9
164.07123	0.9
165.05501	1.3
166.08627	1.9
167.07089	0.8
168.06618	1.4
176.06987	1.2
177.00562	1.0
182.08084	2.2
190.08626	3.7
191.11803	34.7
192.10100	1.2
194.08018	0.9
194.11765	1.8
213.08893	1.0
219.01692	1.0
219.11395	1.6
221.08035	1.3
222.11282	25.3
223.14337	1.2
234.11230	1.3
237.02890	1.3
249.12198	1.6
250.10745	3.1
251.13930	100.0
261.12314	1.3
267.08679	1.5
269.07822	5.9
279.13391	6.3
280.09009	0.8
282.32648	0.9
283.03009	1.2
283.06467	0.8
290.62357	0.9
297.07248	16.5
297.14410	37.8
299.06140	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	297.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02376	0.8
53.03714	0.3
53.03952	5.3
55.01875	1.2
55.05511	0.5
56.05030	0.6
56.96566	0.3
57.03438	0.4
59.05011	1.6
65.03944	0.3
67.05506	0.5
69.03435	4.1
69.03784	0.5
69.07124	0.3
70.06593	1.4
71.01344	0.3
71.04986	0.8
71.08636	0.2
71.51673	0.4
72.08152	0.8
73.02916	0.3
75.04478	0.6
77.03916	1.3
79.05505	0.9
81.03423	2.0
81.07056	1.0
83.05002	0.3
83.46623	0.2
84.04502	0.3
84.08158	1.4
85.02908	1.3
85.52584	0.2
86.09721	1.2
87.04475	2.7
91.05469	0.6
93.07056	0.4
95.01334	0.4
95.04978	5.1
97.02900	9.0
99.00854	0.3
99.04458	0.5
101.06022	0.7
101.28267	0.3
105.03398	100.0
105.04538	2.8
106.03728	0.4
107.04969	0.5
107.08573	0.3
110.07151	0.5
111.04446	2.0
113.02392	1.1
115.03931	0.5
116.07082	0.3
120.08096	0.6
121.01119	0.3
121.06549	0.4
123.04436	0.7
125.02365	2.9
127.03895	0.7
129.05495	2.7
129.10258	0.5
136.07602	0.6
137.05957	0.4
143.03374	0.6
145.02844	0.3
147.04433	0.4
147.06522	0.7
147.09172	0.6
149.00601	0.5
151.02190	0.2
152.79420	0.2
161.06007	0.3
162.05511	0.6
163.08734	0.5
165.06949	0.2
166.00851	0.7
175.06035	12.9
175.08687	1.1
177.05492	0.4
181.04906	0.3
187.11153	0.3
194.00339	3.6
194.07152	0.2
195.09167	0.3
207.01169	1.4
209.02707	4.8
221.08147	0.3
222.06815	0.4
223.08803	0.4
237.09196	0.4
251.03697	0.5
251.09018	0.9
265.08661	0.6
267.08734	1.2
279.08762	0.5
279.13211	0.5
297.04260	0.5
297.08551	1.2
297.11621	0.8
297.14603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1267
Annotation	Met Phe
Peak:m/z	Relative Intensity
53.03959	0.4
56.05040	61.7
61.01154	38.2
61.01608	0.5
70.06601	1.7
71.51661	0.7
72.08160	1.0
74.06078	3.5
74.62917	0.4
75.50602	0.4
81.03406	0.4
81.07089	0.5
84.04525	1.6
84.08160	1.8
85.02921	0.7
86.09721	1.7
90.99966	0.4
91.05465	3.0
93.07046	0.5
94.06570	0.5
95.04958	0.8
97.02909	0.7
98.97592	2.9
102.27980	0.5
103.05495	1.1
104.05335	100.0
105.03387	6.5
105.07059	0.6
107.04966	0.8
107.08617	0.4
110.07150	0.6
116.98649	1.1
117.03363	0.5
118.03771	0.7
120.08111	23.5
123.08134	0.5
129.10208	0.7
130.06552	1.1
130.08676	0.5
131.04930	1.0
132.08110	0.7
132.99550	0.5
137.06035	0.5
145.02870	1.4
145.06526	0.4
146.03137	1.9
146.05998	1.1
147.04427	0.6
149.06010	0.6
158.99641	0.9
161.05986	0.8
162.06781	0.8
163.03918	0.4
166.08649	13.9
174.05589	0.4
175.05945	0.7
175.08714	0.8
177.00641	0.7
177.05455	2.1
178.05797	5.3
186.09148	0.8
194.34604	0.4
203.11826	1.0
206.09979	0.8
209.02690	0.8
210.02977	0.8
221.10754	0.5
232.09805	2.6
237.09290	0.6
249.12331	6.0
251.12137	1.4
253.58559	0.4
265.08627	1.0
269.07764	0.4
273.07150	0.5
279.08786	0.4
280.10010	1.1
295.09735	0.7
297.08197	0.7
297.12845	6.5
297.17688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1355
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
55.01863	0.9
55.05497	0.5
56.96548	0.4
57.03445	1.4
61.02920	0.6
63.02383	0.2
69.03418	1.0
69.07056	0.4
70.06597	1.8
70.90630	0.6
71.01337	0.4
71.06904	0.3
72.08170	1.4
73.02902	0.9
78.65919	0.2
79.05466	0.3
84.04493	0.7
84.08150	1.6
85.02908	1.6
86.09724	1.6
87.04464	0.3
87.10032	0.3
88.02220	0.5
88.03986	0.7
89.03923	1.8
91.05457	0.8
97.02889	0.7
98.06066	0.4
98.97585	1.1
102.05547	0.4
103.03931	0.3
105.03381	0.4
105.07066	0.4
106.04210	0.2
110.07178	0.6
115.03941	0.3
116.07105	0.2
116.98592	0.3
117.03381	6.9
118.22621	0.2
119.04905	0.4
119.08609	0.2
120.08108	1.8
121.05136	0.6
122.02611	0.2
126.67291	0.2
129.10245	0.8
134.03624	0.5
135.04424	0.6
136.07584	1.3
137.05971	0.4
137.07938	1.3
145.02850	18.0
147.06438	0.5
149.00610	0.5
149.05981	2.8
149.06982	0.4
150.07771	0.8
151.03905	0.8
151.08101	0.4
152.04286	0.7
158.99649	0.3
162.07849	0.5
163.03926	0.4
164.09328	100.0
166.08633	0.4
175.05946	0.4
175.07486	0.3
177.05478	35.6
179.03391	0.3
194.00320	1.7
209.02716	3.4
214.56923	0.3
214.58725	0.3
215.06729	0.3
219.01764	0.3
223.11740	0.3
278.10287	0.4
295.59561	0.7
296.13568	26.8
310.59201	0.2
315.35400	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.8
63.02392	0.4
65.84177	0.3
69.03430	0.5
70.02988	0.4
70.06595	1.3
70.31673	0.7
70.32036	0.5
72.08146	0.9
84.04510	0.7
84.08145	1.2
85.02901	0.5
86.06069	1.3
86.09698	0.9
86.14587	0.3
88.03972	1.7
89.03912	4.7
91.05477	1.1
95.04952	0.4
97.02876	0.5
98.97607	0.6
102.05556	0.9
103.05453	0.5
104.05333	0.9
105.03436	0.4
106.04184	0.4
111.86940	0.3
117.03383	18.7
119.04964	0.3
120.08092	0.8
129.10280	0.5
134.03619	1.2
134.38295	0.3
135.04408	0.6
136.07533	0.7
145.02850	47.9
146.06100	0.3
147.06337	0.7
149.05975	6.4
151.03967	0.4
152.04190	0.6
152.73289	0.3
158.70323	0.3
161.06081	0.3
161.09660	0.4
163.03857	0.5
166.00815	0.5
166.08772	0.3
175.05836	0.4
177.05473	100.0
178.05885	0.3
186.05502	0.8
194.00337	4.3
209.02689	11.2
214.57001	0.8
241.15002	0.3
253.08498	0.3
296.09140	0.5
296.11227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10649	0.3
55.01873	0.4
56.96574	0.3
57.03426	0.4
63.02380	0.4
65.26591	0.3
69.03425	0.5
69.76113	1.4
70.03767	0.3
70.06588	1.1
72.08156	1.2
74.64853	0.2
78.04701	0.4
84.04492	0.7
84.08143	0.8
85.02907	0.8
86.06072	0.4
86.09708	0.8
87.04481	0.5
88.02248	0.5
88.04002	0.7
89.03920	6.2
91.05460	0.8
95.04969	0.3
97.02901	0.3
98.20761	0.4
98.97588	1.0
99.04457	0.3
102.05530	0.8
103.05470	0.6
106.04187	0.5
110.07175	0.4
116.04269	0.4
117.03383	24.0
119.04900	0.3
120.06588	0.3
120.08093	2.3
121.06519	0.3
123.06635	0.3
124.05219	0.3
127.03974	0.4
129.10266	0.3
134.02788	0.3
134.03622	1.6
135.04454	1.3
136.07585	0.7
137.07915	0.3
144.06876	0.3
145.02849	55.0
147.06354	0.5
149.05986	7.8
149.07135	0.6
150.07761	3.3
151.03923	0.8
151.08218	3.3
152.04280	0.6
161.05969	0.4
162.03098	0.3
163.03876	0.7
164.09332	8.7
177.05473	100.0
177.62524	0.3
179.14561	0.3
186.05539	0.7
194.00343	0.5
209.02675	2.0
213.22043	0.3
224.09100	0.3
278.09985	0.3
295.59387	0.7
296.10809	0.6
296.13712	2.1
296.17941	0.6
310.38538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	8.5
55.01856	5.0
55.05281	3.1
55.05515	42.8
56.11012	2.4
57.03432	3.1
57.07061	8.6
57.89681	2.3
67.05511	71.5
69.07068	31.2
70.90955	5.4
71.04987	5.4
71.08305	3.2
71.08640	43.6
78.40334	2.3
79.05499	39.2
79.27967	2.3
81.03427	19.5
81.06598	3.1
81.07062	54.0
83.04983	14.7
83.08625	23.6
85.06528	5.9
85.10171	10.3
86.09747	4.6
91.05505	23.5
91.91702	2.9
93.07053	45.0
95.04985	21.8
95.08613	27.8
97.06516	7.8
97.10189	18.2
99.08107	31.7
104.10742	7.3
105.07048	23.0
107.04959	3.6
107.08607	28.6
109.06511	8.2
109.10175	19.8
111.08112	4.3
113.09677	11.4
117.07037	5.9
119.08585	15.3
121.10107	14.5
123.07987	5.3
123.11727	2.7
124.96789	2.5
125.09639	17.3
128.84502	2.4
129.06966	3.9
131.08565	5.8
133.06468	9.9
133.10117	16.1
135.08069	4.3
135.11700	14.6
136.61549	2.6
137.09592	3.8
139.11162	3.5
143.08539	3.9
145.10135	6.6
147.11687	10.1
149.09641	3.4
149.13290	7.0
151.11195	35.7
153.12688	3.2
157.10112	2.8
159.11784	2.7
161.13240	17.6
163.11211	14.5
163.14793	5.1
165.12766	20.5
171.11646	3.9
173.13181	3.0
175.14790	6.6
179.14372	15.6
184.07307	5.3
185.13226	4.4
189.11238	14.3
189.12659	3.8
207.13745	3.6
231.21039	5.6
241.19481	7.0
249.22134	2.6
259.20496	9.8
265.04922	3.3
277.21640	100.0
294.68640	2.5
295.05914	5.6
295.22665	92.5
315.71454	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03937	4.9
55.01876	18.1
55.05514	39.5
56.96562	1.7
57.03424	5.5
57.07084	7.7
58.87018	1.4
59.04985	3.2
67.05507	76.6
69.02261	1.3
69.03419	3.5
69.07070	83.0
70.06599	1.8
70.20145	2.8
70.20509	6.2
71.04995	13.3
71.08605	2.2
71.09293	1.5
73.06561	2.5
74.01479	1.5
77.03932	1.8
79.05497	57.2
80.57944	1.5
81.03410	4.7
81.07059	89.6
83.04987	12.4
83.08614	22.7
84.08163	2.8
85.06543	7.6
86.09718	3.1
87.04440	1.5
91.05482	26.1
93.07046	73.2
95.04980	8.2
95.08608	77.8
97.06544	24.9
97.10182	18.4
98.20791	1.6
98.97595	2.6
99.08088	4.4
101.05968	1.6
101.09610	1.5
105.03410	3.0
105.04519	2.2
105.07033	29.3
107.04990	2.1
107.08592	54.0
107.40931	1.4
109.06538	9.8
109.10158	37.4
111.04396	1.7
111.08110	11.1
111.11698	6.6
117.07014	7.0
119.08576	20.9
121.06490	1.9
121.10149	45.4
123.08070	74.6
123.08966	3.5
123.11674	10.0
123.36335	1.6
125.09636	12.6
129.07024	3.6
131.08563	11.2
133.06441	3.9
133.10135	14.3
135.08052	5.9
135.10701	3.2
135.11705	51.0
137.09634	14.0
137.13249	3.0
139.07524	4.0
139.11200	15.8
143.08519	5.0
145.10138	6.3
146.06076	3.0
147.08060	5.8
147.11679	11.1
149.02295	1.8
149.09589	5.5
149.13268	11.5
151.07558	14.2
151.11143	3.9
151.14832	1.6
153.07001	6.3
153.09061	2.7
153.12756	28.3
157.10178	4.2
159.11699	7.2
161.09607	4.4
161.13213	7.6
163.11177	3.7
163.14851	4.8
165.07005	3.5
165.09087	3.1
165.12639	1.8
167.10631	3.0
167.69672	1.6
171.11670	5.6
173.13261	6.8
175.11194	2.4
175.14822	15.8
177.12761	1.9
179.10677	4.7
179.14317	3.4
181.06462	2.6
181.12250	4.0
181.15881	2.5
185.13271	4.1
187.14816	1.6
189.11201	4.4
189.12730	3.3
189.16347	2.6
191.14296	3.2
193.15944	4.0
195.13727	2.0
199.14784	2.3
203.12703	3.9
209.05984	7.9
209.15425	1.8
213.16360	2.0
231.21040	7.1
235.07454	1.8
237.05501	3.7
241.19443	13.9
249.18402	2.0
249.22137	17.7
252.04199	4.0
253.08675	2.6
259.20566	21.2
265.04974	17.0
277.21631	100.0
280.03732	7.5
295.06036	56.3
295.09509	6.3
295.15393	2.5
295.22690	67.3
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
53.03934	4.0
55.01858	13.2
55.05512	31.8
57.03440	38.3
57.07078	5.6
61.23440	3.0
67.05504	71.6
69.07068	27.2
69.72494	19.0
71.04965	8.6
71.08638	7.7
72.99818	3.2
79.05492	49.6
81.06597	6.4
81.07056	100.0
83.04980	7.1
83.08604	20.8
85.06535	6.5
88.93767	2.9
91.05479	25.3
93.07047	56.2
95.04978	5.8
95.08614	76.9
97.06512	7.1
97.10152	10.0
98.20776	5.1
99.08041	15.0
105.07030	25.8
107.08604	49.5
109.06552	5.4
109.10163	31.5
111.08093	15.1
117.07012	6.5
119.08584	20.7
121.10140	44.3
123.08054	10.5
123.11701	9.8
125.09600	7.4
131.08591	11.5
133.10126	23.6
135.11694	33.4
136.93163	6.4
137.09572	6.2
143.08566	5.3
145.10117	12.2
147.11652	11.6
149.09567	5.8
149.13261	13.7
151.11171	7.9
157.10129	4.2
159.11697	14.5
161.13235	12.7
163.11148	6.5
163.14784	8.1
165.12747	7.0
171.11662	5.8
172.95265	3.9
173.13242	7.8
175.14801	9.0
181.12251	5.7
185.13220	4.9
187.14812	17.5
195.13736	3.5
199.14807	3.5
203.17953	4.9
205.15900	11.4
221.18987	7.8
223.16925	9.4
237.18594	4.0
241.19545	9.4
259.20605	13.8
277.21625	83.6
295.06018	4.6
295.22696	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03952	4.4
55.01891	5.3
55.05515	46.2
57.03431	5.1
57.07051	3.7
59.04995	2.4
67.05511	93.5
69.07072	29.8
69.47861	13.9
71.05004	2.2
71.08618	7.9
79.05497	38.6
81.03409	3.5
81.07063	88.7
83.04963	6.0
83.08627	68.3
83.09116	4.3
85.06534	4.1
86.09673	2.2
91.05492	22.4
93.07051	38.6
95.04961	8.1
95.08614	43.4
97.06520	5.3
97.10169	3.5
99.08107	11.6
105.07043	19.6
107.08605	21.4
109.06507	5.3
109.10167	15.0
111.08092	22.8
113.09625	4.1
117.07038	4.0
119.08578	15.8
121.06487	4.5
121.10148	30.2
123.08028	4.9
123.11713	10.5
124.05956	2.3
129.06985	4.3
131.08559	5.0
133.10130	14.6
135.11743	14.1
137.13263	2.3
145.10091	5.3
147.11679	14.3
149.13284	13.6
151.11151	6.3
157.08636	11.0
159.11665	4.1
161.09520	2.2
161.13275	15.5
163.11128	4.5
163.14821	4.9
165.12727	4.3
171.11679	4.1
173.13205	2.7
175.09659	20.9
175.11093	4.7
175.14812	6.9
177.12846	2.6
179.14293	9.1
184.07344	5.2
185.13333	4.5
189.12698	2.6
191.00645	2.5
193.12231	2.9
193.15953	2.6
195.13869	4.3
203.14284	2.4
207.13803	3.4
217.19507	4.5
221.15308	4.5
231.21080	8.0
241.19551	8.5
259.20612	20.7
277.21649	100.0
295.02347	15.4
295.05917	6.6
295.22775	11.8
296.25339	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	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	5.4
55.01873	22.6
55.05515	38.5
55.06539	1.4
57.03439	2.4
57.07079	8.4
61.05638	1.3
67.05508	57.2
69.03416	3.4
69.07075	21.8
70.68398	1.6
70.68742	3.1
71.04987	5.2
71.08641	32.0
71.53514	1.2
79.05499	34.6
81.03423	10.4
81.07061	59.4
83.04988	14.5
83.08623	24.5
85.06533	5.1
85.10191	7.2
91.05487	29.4
93.06488	2.8
93.07050	42.2
95.04982	13.0
95.08613	33.7
97.06545	16.5
97.10179	14.1
97.97162	1.3
99.08099	31.1
99.08749	1.5
104.06239	1.4
105.07040	25.0
107.04962	3.9
107.08596	24.9
109.06516	5.7
109.10162	15.1
111.08095	25.0
113.09659	11.5
117.07015	5.1
119.08586	17.6
121.06460	1.7
121.09321	2.0
121.10139	16.1
123.08060	5.3
123.10935	1.4
123.11693	6.9
125.09638	14.0
127.11206	1.8
129.07005	4.1
131.08562	5.1
133.10139	15.2
135.08014	3.8
135.11699	13.7
137.09608	5.0
137.13234	2.0
139.11209	7.1
141.18304	1.5
143.08566	4.2
145.10135	5.3
147.11699	18.4
149.09616	5.2
149.13261	12.9
151.11191	28.9
153.06996	4.5
153.12770	3.3
157.10138	3.3
159.11678	4.0
159.71727	1.3
161.13266	14.2
163.11185	13.0
163.14801	2.1
165.06979	2.2
165.12766	20.9
167.14265	2.3
171.10257	1.4
171.11681	3.5
173.13226	2.0
175.11252	3.6
175.14767	4.8
177.12827	1.8
179.14310	12.2
181.06439	2.2
181.12155	1.6
185.13307	3.7
189.11224	9.0
189.12714	2.6
193.15904	2.9
195.13853	1.9
199.14893	1.8
201.39490	1.2
205.34882	1.4
207.13786	3.4
209.05930	8.1
221.15361	2.2
231.21140	3.5
235.16963	2.1
237.05524	3.0
241.19675	6.4
249.22147	6.8
250.00658	1.5
252.04178	1.8
259.20541	13.0
265.04980	12.3
277.21643	100.0
295.06036	25.7
295.22684	54.5
296.06601	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03950	11.2
53.63835	1.2
55.01880	6.6
55.05273	1.9
55.05514	25.1
55.60254	1.2
56.96555	1.7
57.03447	2.5
57.07092	6.3
57.07316	1.3
64.66418	1.2
65.03939	1.4
67.05508	44.3
69.03415	2.5
69.07072	48.6
69.26907	11.8
71.04971	1.9
71.08624	3.6
77.79036	1.2
79.05078	2.0
79.05499	33.6
81.03419	52.7
81.06595	2.3
81.07059	43.8
83.04988	13.7
83.08627	12.8
85.06535	3.7
85.10175	1.4
88.14147	1.5
91.05480	15.6
93.07050	36.2
95.04972	29.8
95.08615	23.5
97.06523	4.0
97.10169	11.6
104.06610	1.5
105.07033	23.4
107.04890	1.4
107.08606	23.6
109.06549	7.9
109.10152	12.0
111.04484	1.3
111.08074	4.3
117.07020	5.4
118.55360	1.4
119.08583	11.8
121.10156	11.2
123.08078	8.1
123.11720	6.5
125.09660	8.7
129.07005	3.0
131.08566	2.7
131.77031	1.2
133.10141	14.9
135.08052	2.7
135.11707	11.1
136.93105	5.2
137.05952	2.9
137.13271	2.9
139.11194	1.8
143.08549	4.5
145.10110	2.5
147.11684	13.2
149.09541	1.3
149.13277	9.6
151.11188	28.0
153.09079	4.4
153.12697	2.3
154.94194	6.8
157.10143	2.9
159.11632	3.1
161.09691	2.0
161.13266	16.0
163.14844	4.5
165.12753	4.3
171.11707	5.4
172.95213	6.0
173.13214	4.4
175.11145	1.8
175.14812	3.6
177.12706	3.0
177.16263	1.6
179.10733	1.4
179.14333	3.6
185.13216	3.9
189.11234	3.0
189.12663	3.3
193.12369	1.5
199.14799	3.3
207.13768	3.5
216.17899	1.4
217.19490	1.7
221.15312	2.2
228.97849	3.7
231.21074	5.8
235.16832	1.3
241.01646	1.4
241.19565	10.3
246.98932	2.0
249.22112	5.2
259.20554	7.1
277.21628	100.0
295.22653	5.8
315.45868	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.25705	1.6
53.03946	20.5
55.01860	6.7
55.05510	25.5
57.03424	3.7
57.07060	5.8
65.03934	1.7
67.05508	48.5
69.07070	38.1
69.73156	2.9
69.73547	4.5
71.04972	2.6
71.08627	5.1
79.05082	3.0
79.05499	37.4
81.03420	75.6
81.07059	50.6
83.04974	15.2
83.08613	9.8
85.10164	2.6
91.04980	2.1
91.05482	24.1
93.06506	2.1
93.07050	34.2
95.04976	35.6
95.08610	18.2
97.06521	4.0
97.10159	5.5
99.08061	2.3
105.07027	22.1
107.08595	23.4
109.06531	8.1
109.10166	14.3
111.08052	2.0
117.06986	4.0
119.08592	11.5
121.10151	8.1
123.11669	4.9
125.09661	7.3
129.06999	2.7
131.08565	4.6
133.10132	14.0
135.08040	3.3
135.11674	6.9
143.08588	1.5
147.08000	1.9
147.11700	11.1
149.13243	5.9
151.11183	40.7
153.09096	5.9
157.10071	2.8
161.09593	1.8
161.13264	11.0
163.11212	2.0
163.14828	3.3
165.09163	1.6
165.12766	10.6
171.10155	3.1
171.11647	4.3
173.13191	2.4
175.11131	1.8
175.14803	5.0
177.12744	1.8
179.10634	1.6
179.14305	5.0
185.13225	2.2
189.11154	2.7
189.12643	2.9
207.13794	5.2
217.19586	2.4
221.15401	3.1
231.21112	13.1
241.19435	5.6
249.22112	7.6
259.20587	8.1
265.67996	1.9
277.21616	100.0
295.22650	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03936	4.3
55.01865	10.5
55.05275	3.8
55.05518	49.7
57.03429	5.7
57.07069	10.1
59.04993	2.8
60.28864	2.1
65.03957	3.5
67.05510	94.0
69.03434	5.3
69.06733	2.7
69.07075	32.5
71.04997	4.5
71.08646	16.5
71.22070	5.4
79.05500	44.0
81.03417	6.5
81.06590	4.4
81.07059	67.7
83.04977	18.1
83.08628	34.2
85.06535	8.7
85.10185	4.7
91.05484	26.2
93.07050	54.0
95.04964	13.9
95.08608	45.0
97.06524	11.0
97.10181	33.6
99.08113	15.0
105.07037	27.4
107.04966	3.2
107.08614	34.2
109.06496	7.9
109.10165	35.0
111.08090	9.0
117.07021	6.9
119.08594	21.5
121.06503	3.3
121.10155	24.9
123.08038	6.4
123.11690	7.8
125.09652	22.8
129.07028	3.6
131.08574	8.0
133.10156	16.6
135.08043	3.7
135.11670	14.9
137.09593	6.8
139.11177	16.8
142.08638	6.5
143.08559	3.2
145.10115	6.8
147.11667	10.5
149.09702	4.3
149.13242	13.4
151.11171	13.3
153.09090	4.8
153.12798	4.8
157.10110	4.2
159.11700	5.1
161.13264	12.0
163.11150	6.3
163.14783	5.6
165.12753	7.4
171.10289	4.4
171.11710	6.8
173.11766	3.6
173.13213	3.8
175.14771	5.7
179.14297	7.4
181.12198	4.7
185.13182	5.2
189.11220	20.0
193.12273	3.8
193.15903	3.9
208.59637	2.4
221.15375	5.2
231.21121	6.3
235.16989	2.7
241.19313	7.0
249.22124	5.5
250.21809	3.5
259.20651	15.0
277.21634	100.0
295.06009	4.8
295.22690	53.3
296.22195	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.12735	1.6
53.03943	2.9
55.01873	2.5
55.05509	18.2
57.03428	3.6
57.07070	4.3
58.78465	1.6
67.05505	47.6
69.03424	2.0
69.07066	17.0
69.44284	11.6
71.05002	4.1
71.08632	38.6
72.22805	1.5
79.05495	40.6
81.03406	7.1
81.07055	45.6
83.04998	11.3
83.08614	11.7
84.49387	1.9
85.06544	4.0
91.05480	24.7
93.06493	3.4
93.07047	56.7
95.04956	7.2
95.08606	32.8
97.06523	7.6
97.10163	6.3
99.08100	31.9
105.07023	15.3
107.04965	4.3
107.08603	35.3
109.10167	18.2
111.08085	3.6
113.09612	2.9
117.07031	3.9
119.08580	13.2
121.10148	28.2
123.11774	2.1
125.09616	3.2
131.08580	3.2
133.10136	12.1
135.11690	39.1
137.09605	6.0
141.09064	4.9
143.24098	1.8
145.10123	2.9
147.11710	3.6
149.13205	11.8
151.11195	14.0
153.12744	4.2
159.11708	5.1
161.13255	7.4
163.11224	4.6
163.14801	1.8
171.11734	2.7
175.14706	2.2
177.12773	5.4
179.14308	100.0
189.12753	1.9
195.13747	2.8
221.15303	3.5
235.16931	4.5
259.20721	4.6
262.16428	1.8
277.21643	52.3
295.22580	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03943	6.2
55.01870	23.8
55.05511	59.8
57.03437	11.0
57.07064	9.5
65.03936	3.5
67.05508	83.8
69.03416	4.6
69.07072	39.6
69.83191	5.7
69.83585	7.3
69.91749	2.3
71.04988	5.4
71.08640	24.5
71.42858	2.4
79.05496	58.6
81.03429	6.7
81.07058	80.9
83.04980	20.0
83.08627	35.1
84.08075	2.3
85.06561	6.2
85.10197	3.9
91.05488	35.8
91.06704	2.0
93.06483	4.2
93.07047	64.1
95.04980	13.7
95.08609	50.5
97.06542	16.1
97.10178	21.0
99.08103	25.0
105.07034	29.3
107.08595	35.4
109.06516	8.5
109.10159	21.7
111.08089	33.9
113.09663	5.4
117.07024	6.8
119.08569	19.2
121.06490	2.6
121.10149	23.4
123.08057	6.4
123.11700	6.8
125.09637	14.7
129.06969	6.3
131.08563	12.0
133.06549	2.8
133.10133	22.4
135.08011	3.0
135.11699	22.2
137.09653	6.2
137.13268	2.8
139.11159	14.9
143.08588	4.1
145.10139	6.1
147.11700	20.4
149.09654	5.5
149.13234	14.3
151.11215	18.0
153.08936	3.3
153.12779	2.5
157.10117	6.0
159.11681	7.4
161.13231	12.9
163.11209	6.9
163.14838	5.4
165.12805	11.4
171.10281	3.6
171.11682	5.5
173.11819	2.9
173.13229	4.0
175.11255	4.4
175.14825	6.1
177.12720	6.3
179.14340	7.0
181.12271	4.4
185.13303	5.0
189.11234	11.9
193.12227	5.9
193.15868	3.2
195.13861	6.1
199.14819	2.5
207.13815	4.5
221.15387	3.5
231.21062	6.3
235.16840	3.1
241.19534	6.0
249.22156	7.2
259.20645	13.9
277.21640	100.0
295.22690	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03949	5.9
53.81733	2.1
54.08604	1.8
55.01867	7.5
55.05273	3.3
55.05515	47.6
57.03436	9.6
57.07075	17.1
65.03939	3.4
67.05508	100.0
68.56989	2.1
69.03423	7.1
69.07071	61.5
70.07394	8.0
70.07819	2.5
70.96151	4.4
71.04980	8.5
71.08631	27.3
73.06554	4.4
79.05071	3.5
79.05498	49.5
79.63478	1.8
81.03434	11.5
81.07060	83.5
81.07535	4.3
83.04987	14.0
83.08618	25.2
85.06551	4.3
86.09721	4.0
90.82185	1.8
91.05490	23.4
91.19405	1.7
93.07048	54.8
95.04966	13.2
95.08610	48.4
97.06541	12.2
97.10176	29.7
99.08102	27.6
105.07046	24.5
107.04980	3.9
107.08599	38.1
109.06533	6.0
109.10155	29.8
111.08062	8.6
113.09660	3.6
115.07562	5.8
116.07918	3.5
117.07019	7.7
119.08588	21.4
121.06474	3.1
121.10141	20.6
123.08078	7.4
123.11718	10.3
125.06025	2.5
125.09635	21.0
129.07011	4.1
131.08543	7.6
133.10138	14.7
135.08054	6.2
135.11713	22.0
137.09608	8.0
137.13264	5.1
139.11169	4.2
143.07022	5.5
143.08569	2.6
145.10124	7.6
147.11699	15.1
149.09637	5.2
149.13280	8.8
151.11183	22.0
153.09128	3.7
153.12746	3.9
155.10670	6.5
157.10136	4.6
159.11723	4.0
161.13271	12.2
163.11218	9.9
163.14824	4.3
165.12805	2.9
171.10175	4.4
171.11696	5.8
173.13268	4.4
175.11197	4.4
175.14824	7.9
177.12727	2.5
179.14314	7.2
184.07349	8.9
185.13274	4.3
189.11246	16.3
189.12740	3.3
193.12248	3.5
193.15865	3.5
195.13818	2.8
197.07359	3.1
198.07610	12.1
203.14395	2.9
207.13731	2.4
209.05966	2.0
211.13043	1.8
221.15326	2.6
231.21100	6.5
241.19557	9.4
259.20566	12.7
265.04919	2.8
265.21774	3.0
277.21631	87.0
295.05984	7.1
295.10193	10.5
295.22726	26.1
296.10037	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.00288	1.8
53.03939	7.6
55.01875	6.8
55.05513	43.8
57.03433	4.2
57.07076	7.2
65.03950	3.7
67.05511	79.0
69.03429	4.3
69.07071	23.8
69.34702	2.4
70.36520	3.6
70.36883	3.8
71.05004	3.0
71.08640	44.4
72.45435	1.8
79.05500	37.3
81.03429	12.3
81.07062	44.3
83.04989	14.0
83.08623	21.9
85.06542	6.9
86.09711	5.0
91.05502	20.8
93.07048	42.5
94.04189	1.9
95.04980	13.2
95.08620	30.0
97.06526	5.5
97.10181	28.9
99.08097	35.0
105.03467	2.5
105.07034	20.5
107.04933	5.1
107.08600	28.8
107.26344	1.7
107.96817	1.9
109.06532	3.6
109.10164	25.5
111.08082	4.9
111.99972	3.4
113.09650	4.6
117.07030	5.9
119.08607	14.5
119.95847	1.7
121.00456	2.3
121.06508	2.4
121.10152	18.6
123.08080	4.9
123.11752	4.3
124.99988	3.4
125.09641	23.3
127.11201	2.1
129.07039	3.0
131.08583	5.0
133.10143	12.0
135.08046	4.2
135.11685	17.1
137.05989	19.4
138.06339	13.7
139.07556	4.2
141.12663	2.1
143.01723	2.1
143.08565	3.0
145.10129	9.0
147.11673	8.1
149.13272	7.8
151.11201	35.9
153.09093	2.9
153.12704	2.3
157.10121	2.1
159.11696	4.6
161.13271	17.6
162.92993	1.8
163.11189	14.1
163.14833	5.6
165.12775	4.5
167.99658	3.0
171.10226	3.3
171.11723	3.0
173.13292	3.5
175.14824	7.0
177.12660	2.4
179.14359	13.0
181.12285	3.4
184.07390	9.9
185.13327	2.2
189.11223	25.5
189.12764	2.4
193.15877	3.8
199.14894	3.1
202.92766	2.1
209.06001	2.1
217.02559	5.2
231.21059	3.8
235.16945	2.0
237.83369	1.7
241.19623	8.2
243.38586	1.8
252.04701	6.1
259.20645	18.0
261.05264	5.2
263.55484	2.9
265.04980	6.8
277.21637	100.0
295.02783	2.6
295.05954	14.3
295.22665	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	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
52.20635	0.8
53.03946	1.3
55.01867	6.7
55.05512	7.5
56.96583	5.6
57.07067	2.9
61.74334	0.7
67.05511	11.7
69.07076	7.6
69.42797	6.3
71.04996	2.6
71.08627	2.5
79.05080	0.9
79.05504	10.6
79.12136	0.7
81.03414	1.2
81.07059	36.7
83.04980	2.8
83.08617	5.2
86.09735	1.1
91.05496	4.7
93.07048	12.4
95.04963	1.2
95.08616	13.2
97.06532	2.6
97.10178	2.6
99.08105	3.5
105.07018	4.4
107.08604	7.8
109.06520	15.4
109.10172	7.1
111.04443	11.0
111.08076	1.9
119.08572	6.6
121.10148	10.8
123.08089	2.1
123.11715	4.0
125.05988	3.9
125.09664	1.4
131.08583	2.3
131.17961	0.8
133.10133	3.6
135.08037	2.9
135.11710	8.7
137.05983	100.0
137.13258	2.7
139.07619	0.9
143.08600	1.1
145.10120	2.1
147.08067	1.4
147.11696	8.5
149.09659	4.0
149.13286	2.5
151.07518	3.0
151.11162	1.7
159.11691	2.1
161.01173	1.3
161.09612	3.8
161.13284	3.8
163.03799	1.0
163.11191	3.6
165.09158	2.1
165.12729	2.0
167.10719	1.3
171.11716	1.7
173.13297	1.4
175.11180	5.0
175.14772	1.6
177.12617	1.1
179.10614	1.6
179.14235	1.1
189.12808	0.9
189.16496	1.0
193.12318	1.0
203.17964	5.7
205.19508	1.8
213.16420	2.7
221.19072	1.6
231.17491	9.3
240.14552	1.5
241.15918	1.7
249.15120	1.8
249.18523	12.5
254.14265	2.1
259.20975	1.0
263.14798	9.7
263.64844	1.6
265.05087	2.2
272.15308	8.0
272.65375	1.5
274.65598	4.0
277.18036	51.4
277.21533	8.1
295.06122	4.0
295.19101	4.9
295.22409	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03942	1.3
55.01864	6.9
55.05514	7.7
57.07072	2.2
67.05506	11.3
69.03417	1.4
69.07072	6.2
69.25271	5.9
71.05046	1.0
71.08640	3.3
79.05494	9.6
81.03412	1.2
81.07059	35.3
83.04971	3.9
83.08616	4.2
85.02871	0.7
85.06533	0.9
91.05480	4.7
93.07039	7.2
93.74771	0.7
95.04978	1.3
95.08611	8.1
97.06534	2.1
97.10166	2.9
99.08094	2.2
103.29643	0.8
105.07026	4.9
107.05005	0.8
107.08593	6.4
109.06519	12.2
109.10155	5.2
111.04445	12.6
111.08064	2.1
117.07030	1.1
119.08584	5.1
121.10151	4.1
123.08036	1.6
123.11703	1.9
125.06007	3.7
125.09637	1.7
131.08580	2.4
133.06517	1.6
133.10138	4.3
135.08063	2.6
135.11702	4.8
137.05983	100.0
137.13260	2.2
138.06474	0.6
139.11174	1.3
143.08594	0.7
145.10172	1.6
147.08038	1.6
147.11678	5.4
149.09634	3.7
149.13277	2.1
151.07555	3.5
151.11168	2.7
157.10168	2.2
159.11702	1.2
161.09619	4.5
161.13268	2.2
163.11259	3.2
165.09096	2.3
165.12726	0.8
167.10583	0.9
171.11729	1.1
173.13263	0.9
175.11177	4.0
175.14806	1.1
177.09036	0.8
177.12723	1.1
179.10567	1.6
179.14319	1.0
185.13338	0.8
189.11234	1.0
189.12793	1.5
193.12318	1.0
203.17963	4.7
207.13960	0.9
209.06024	0.8
213.16409	2.4
221.18922	1.7
231.17470	10.7
241.15752	0.8
249.18515	11.0
259.20651	1.6
265.05127	0.8
277.18039	52.4
277.21521	9.8
295.02930	0.8
295.06009	3.4
295.19064	8.4
295.22672	5.5
295.27728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.46925	0.3
55.05489	0.4
57.03409	0.5
57.04536	0.8
63.16795	0.3
65.03926	0.5
66.24689	0.3
68.71648	0.3
69.03430	1.5
69.07053	0.5
69.62299	1.7
70.06569	1.2
71.01359	0.3
72.08161	5.4
74.02432	0.7
74.07157	0.2
81.03414	0.4
84.04498	0.4
84.08146	1.3
85.02899	2.8
86.09708	4.9
87.04446	0.5
87.05561	0.3
87.08078	0.3
89.10770	0.8
91.05482	19.7
97.02882	1.6
98.06024	0.3
98.97505	0.4
99.04455	0.4
106.79365	0.3
107.04958	0.5
110.03622	0.3
114.10306	1.4
115.03908	0.5
115.08698	1.1
118.06536	0.8
119.04940	15.2
120.08116	0.8
121.06503	2.6
125.05972	0.5
127.03907	0.4
128.11845	1.1
129.10239	4.3
130.08655	0.7
132.10199	1.5
133.04930	0.6
136.07579	100.0
137.05975	0.4
141.05418	0.4
145.04965	1.1
146.06000	0.5
147.04401	0.5
147.36902	0.3
150.07776	0.4
151.03906	47.8
151.04929	2.1
164.07124	2.2
178.08105	0.3
187.47610	0.2
206.10535	0.6
221.12874	6.1
222.11250	11.1
222.13388	0.6
239.13828	1.8
249.15970	1.7
250.14403	0.7
264.13477	2.6
278.15039	2.9
295.17657	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	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01868	6.5
55.05510	5.5
55.32444	0.6
57.07065	1.2
63.70037	0.7
67.05511	8.0
69.07076	5.3
70.10920	2.9
71.08627	1.5
79.05495	6.3
81.06593	1.6
81.07064	29.9
83.04990	1.7
83.08621	2.8
91.05473	2.9
93.07063	4.9
95.04956	0.8
95.08619	6.0
97.06540	1.7
98.20837	1.0
99.08102	2.8
105.07034	2.9
107.08619	4.2
109.06521	11.2
109.10152	3.5
111.04460	9.9
111.08091	2.0
119.08603	4.0
121.06511	0.7
121.10143	5.1
123.08051	0.9
123.11705	1.5
125.06023	4.0
131.08546	1.6
133.10126	3.6
135.08046	1.6
135.11688	4.1
135.68011	0.7
137.05984	100.0
137.13261	1.5
139.07574	0.8
145.10138	2.2
147.11711	4.3
149.09608	2.8
149.13264	1.7
151.07550	3.4
151.11171	1.9
157.10162	1.3
159.11661	1.1
161.09627	5.0
161.13271	2.6
163.11224	3.1
163.14841	1.2
165.09106	1.8
165.12724	1.1
167.10767	1.1
171.11719	1.2
173.13411	0.7
175.09831	0.8
175.11151	3.7
175.14824	0.8
175.96669	0.7
179.10657	1.7
179.14233	0.9
184.07356	1.4
185.13327	0.8
189.12796	1.1
190.13219	0.8
193.12241	1.2
201.96980	0.7
203.17998	5.0
213.16385	1.6
221.18999	2.3
222.12260	0.7
223.14824	1.0
224.01178	0.7
231.17462	9.1
241.15738	0.9
249.18527	10.9
259.20709	1.1
277.18030	53.9
277.21497	5.1
295.02313	2.8
295.06094	1.8
295.19092	5.2
295.22723	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1027
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03959	1.3
55.01888	4.7
55.05505	4.2
56.05034	3.2
56.96565	7.2
57.03441	21.4
59.05007	3.7
60.04529	2.4
61.02944	5.1
66.46364	0.9
67.05505	3.4
69.03432	96.5
69.07074	12.5
69.76906	4.9
70.06591	11.1
71.01357	3.3
71.04980	2.8
72.08164	12.1
73.02924	6.0
74.06092	2.3
75.04483	1.7
76.14304	1.1
79.05494	3.2
81.03423	16.2
81.07059	3.0
83.01330	1.1
83.04981	3.7
83.06119	8.2
83.08610	1.1
84.04511	18.5
84.06438	4.6
84.08147	21.2
85.02912	56.0
85.04847	3.3
85.08482	2.8
86.09711	100.0
87.04475	42.2
87.10042	1.3
88.03996	2.5
91.05501	2.9
91.95194	1.0
93.07064	1.2
94.06613	1.2
95.04963	3.7
95.06110	0.9
97.02898	63.0
98.31436	1.1
98.97582	3.6
99.04459	12.2
102.05561	1.5
103.03943	9.6
103.05465	1.1
107.04967	1.7
109.02911	5.3
109.10181	1.1
110.07165	4.5
111.04454	4.1
112.05119	4.6
112.08711	1.6
113.02389	1.3
115.03938	55.8
115.08704	1.1
116.07087	1.8
116.98582	2.3
117.05531	3.1
117.77287	1.0
118.08631	5.7
119.04945	3.2
120.08115	25.5
121.02926	1.3
121.08453	10.9
121.80684	0.9
123.04459	6.8
125.02367	1.6
127.03931	12.8
129.10243	6.2
131.04968	1.5
132.95834	1.4
133.04970	58.7
134.99582	1.1
135.04433	4.1
136.06230	3.7
136.07571	6.9
137.05925	2.4
139.03931	3.8
143.03380	1.6
143.04918	1.1
145.04962	26.0
146.05963	1.7
147.04417	2.8
147.11372	1.2
149.05965	1.4
150.05301	1.0
150.07819	1.8
150.97372	2.2
151.03908	11.2
151.06013	1.2
152.06999	1.1
156.07654	1.0
157.05051	2.1
161.04485	3.9
163.03952	9.9
163.05978	1.6
164.07056	1.8
165.05508	3.5
166.08653	3.3
167.07069	1.4
167.08995	3.9
169.04993	8.0
174.96916	1.9
175.07610	1.2
177.00752	1.9
177.05521	3.2
178.08582	1.1
179.03366	1.0
181.04984	1.4
182.08159	4.6
187.06129	1.5
189.05450	1.5
193.04951	3.0
199.05968	2.5
205.07053	2.2
207.03682	1.2
207.08287	1.2
211.06125	1.3
213.05511	2.3
219.01825	2.8
221.80937	1.2
222.11217	1.6
223.05835	1.5
229.07074	3.7
231.06544	3.3
231.11331	1.8
232.11638	3.7
234.99008	2.7
241.07076	5.4
245.22737	1.5
249.15749	1.3
259.08145	3.7
277.04233	1.8
277.07028	1.0
277.09293	9.4
277.13791	12.2
277.21539	1.2
278.12241	8.0
279.07773	1.3
295.05234	5.0
295.08490	3.3
295.13010	3.8
295.16910	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	295.1653
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
55.05500	0.4
57.04552	0.3
57.96207	0.2
62.07551	0.2
65.03933	0.3
69.03428	0.4
69.07035	0.3
69.49104	0.5
69.49503	1.2
70.06570	0.6
72.08163	1.5
73.02915	0.3
74.02420	0.6
83.06876	0.2
84.08131	0.8
85.02911	1.0
86.09711	5.6
91.05483	20.7
97.02895	0.4
98.97488	0.2
107.04953	0.9
108.39873	0.2
109.06501	0.4
110.07121	0.2
118.06548	0.9
119.04943	16.0
121.02910	0.3
121.06516	2.6
128.07071	1.0
128.10722	0.3
128.11859	0.6
129.07449	0.4
129.10239	1.2
129.11096	0.4
130.08632	0.9
132.10208	1.6
136.07581	100.0
145.04994	0.3
147.04424	0.6
151.03908	13.7
164.07077	0.6
221.12897	1.6
222.11276	3.0
232.13420	0.3
239.14003	0.7
249.15944	1.7
250.14418	0.7
264.13556	0.5
277.08789	0.2
278.13858	1.4
295.17352	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	295.0601
Annotation	Euplectin
Peak:m/z	Relative Intensity
51.02393	0.4
53.03947	0.4
54.61821	0.3
55.01874	0.8
55.05505	0.4
67.01854	1.1
67.05489	0.8
69.03413	0.4
69.07053	0.4
70.76543	0.8
71.08635	0.4
72.08151	0.3
77.03919	0.9
79.05486	0.6
81.07054	0.9
91.05473	0.4
92.02606	0.3
93.07028	0.9
95.04967	0.6
95.08608	0.4
97.06486	0.4
97.10199	0.4
99.08048	0.4
105.03390	4.4
105.04481	0.5
107.08630	0.4
111.06250	0.4
111.08131	0.3
115.05385	0.4
116.96729	0.3
125.24281	0.3
133.10118	0.3
134.06992	0.3
141.06964	0.4
146.60063	0.3
149.02400	0.4
151.11215	0.3
152.06238	2.7
153.06992	14.4
160.01578	1.3
164.21394	0.3
165.07013	8.5
168.05676	0.6
169.06548	0.5
178.02553	0.5
181.05017	0.6
181.06485	7.2
193.06427	1.2
196.05173	0.5
197.05879	0.4
209.05977	22.2
221.06006	0.6
224.04672	0.6
237.05438	8.7
252.04155	5.0
253.05011	0.6
265.04962	47.6
277.21616	0.7
279.02945	1.1
280.03665	4.2
295.06009	100.0
296.06339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0601
Annotation	Euplectin
Peak:m/z	Relative Intensity
51.02364	0.4
53.03928	0.3
55.01851	0.3
61.98473	0.3
67.01837	0.9
67.66842	0.3
69.03408	0.4
69.56966	0.3
70.68979	0.5
72.08839	0.2
77.03903	1.3
78.38594	0.3
93.58014	0.3
99.10869	0.3
105.03397	4.0
109.10099	0.3
115.05422	0.4
141.07010	0.5
151.05309	0.4
152.06201	3.5
153.06995	14.3
160.01559	1.2
165.07004	8.5
168.05690	0.5
169.06500	0.4
178.02628	0.7
181.06487	7.8
193.06493	1.1
196.05214	0.4
197.05940	0.4
197.62410	0.3
200.70909	0.3
209.05972	24.8
221.06020	1.1
224.04655	1.0
237.05466	10.0
252.04172	5.0
253.04892	0.4
265.04959	47.4
266.05295	0.6
279.02869	1.3
280.03662	5.1
295.06009	100.0
296.06284	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01866	1.1
55.05494	1.2
57.07066	0.4
67.01848	1.1
67.05502	1.9
69.03408	0.3
69.07053	1.1
70.76980	0.8
71.04955	0.3
71.08632	1.6
77.03932	0.8
79.05473	1.2
81.03384	0.4
81.07056	2.3
83.04977	0.5
83.08607	1.2
91.05477	1.1
93.07055	1.8
93.78224	0.2
95.04961	1.1
95.08608	1.7
97.06505	0.4
97.10151	0.4
99.08076	1.1
105.03400	4.1
105.07025	1.0
107.04912	0.3
107.08561	0.6
109.10129	0.8
111.08092	0.7
115.05434	0.4
118.21407	0.2
119.08563	0.7
121.10146	0.6
123.08099	0.4
123.11698	0.3
125.09649	0.6
128.39262	0.2
131.08568	0.4
133.10133	0.7
135.11687	0.6
139.11172	0.3
141.07019	0.3
146.06046	0.4
147.08057	0.4
147.11694	0.6
149.02328	0.3
149.13219	0.6
151.11165	1.0
152.06230	3.2
153.07008	13.3
157.02893	0.3
157.10089	0.3
160.01581	1.0
161.13200	0.5
163.11183	0.4
165.05602	0.5
165.07016	8.5
165.12746	0.6
168.05692	0.7
177.12782	0.3
178.02576	0.6
179.14313	0.5
181.06482	8.1
183.53973	0.3
186.34254	0.3
189.11226	0.4
193.06352	1.4
196.05139	0.5
197.06096	0.3
209.05995	24.0
221.05972	0.9
223.35735	0.2
224.04706	1.1
237.05464	10.1
241.19388	0.3
252.04189	4.9
253.04745	0.3
259.20633	0.4
265.04965	48.3
266.05115	0.4
267.06619	0.5
274.88641	0.2
277.21594	2.9
279.02972	1.1
280.03702	5.5
295.06018	100.0
295.22388	1.5
296.06326	1.0
310.95642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
52.37890	0.2
53.03938	0.5
55.01858	0.8
55.05515	1.3
57.03428	0.4
57.07051	0.4
67.01871	1.1
67.05172	0.2
67.05507	2.8
69.03416	0.7
69.07064	1.4
69.22202	1.6
71.04996	0.3
71.08624	0.9
73.02901	0.8
77.03916	0.8
79.01842	0.6
79.05511	1.4
81.03409	0.5
81.06656	0.2
81.07057	2.6
83.04981	0.5
83.08606	0.6
84.08123	0.2
85.02911	0.3
85.06525	0.2
86.09660	0.2
91.05505	1.1
92.02593	0.3
93.07048	2.2
95.04952	0.8
95.08621	2.0
97.02888	0.4
97.06509	0.4
97.10147	0.7
99.08090	0.7
103.03493	0.2
105.03400	3.8
105.04488	0.4
105.07031	1.2
107.04916	0.3
107.08611	1.3
108.63136	0.2
109.06506	0.6
109.10168	1.3
111.08085	0.3
111.11720	0.2
113.09621	0.3
115.03928	0.4
115.05428	0.3
117.06998	0.3
119.08578	0.8
120.11337	0.2
121.06532	0.3
121.10130	0.7
123.08054	0.6
123.11702	0.4
125.09605	0.6
128.06374	0.2
129.07018	0.3
131.08563	0.4
133.10141	0.7
135.08023	0.2
135.11661	0.8
137.09613	0.6
137.13278	0.2
139.11156	0.3
140.68121	0.2
141.06992	0.4
143.08502	0.3
145.10129	0.5
146.05960	0.2
147.08066	0.2
147.11682	0.6
149.02322	0.3
149.13255	0.3
151.11172	0.6
152.06215	3.4
153.06998	14.2
157.02901	0.2
159.11655	0.5
160.01576	0.8
161.02188	0.2
161.13258	0.6
163.11128	0.5
165.07008	9.2
165.12708	0.3
168.05748	0.5
169.06483	0.4
171.11720	0.4
173.13248	0.3
175.05371	0.3
175.14859	0.2
178.02599	0.8
179.05959	0.3
179.14348	0.3
181.06493	7.7
184.07332	0.5
189.11195	0.3
189.12682	1.8
193.06380	1.0
196.05168	0.4
197.05984	0.6
209.05984	23.8
210.06462	0.2
211.07607	0.3
221.05995	0.7
224.04659	0.9
231.21062	0.2
235.13307	0.7
237.05472	10.0
239.07175	0.2
241.19545	0.4
249.14854	0.5
249.22202	0.4
252.04181	5.0
253.04897	0.5
259.20517	0.7
265.04968	48.8
266.05246	0.5
267.06488	0.3
277.18677	0.2
277.21622	3.3
279.03003	1.0
280.03668	5.3
295.06015	100.0
295.22467	1.6
296.06412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62057	0.2
55.01862	0.6
57.07068	0.9
67.05508	0.7
69.07076	0.3
70.57111	0.6
70.70317	0.2
71.08649	1.3
79.05497	0.7
81.07068	1.2
88.07626	0.2
91.05476	0.8
93.07052	0.3
94.04190	1.9
95.05006	0.3
95.08639	0.3
95.68887	0.2
105.07043	0.2
107.04960	0.3
107.08595	0.5
108.08968	0.3
109.06489	0.3
111.08056	0.4
112.08435	0.2
117.03363	0.3
122.03652	5.1
122.11915	0.2
123.11810	0.3
125.09595	0.3
137.05986	100.0
141.12737	2.0
158.15446	1.4
166.52605	0.2
170.15445	0.7
184.07437	0.5
249.72826	0.2
251.15640	0.2
276.20450	0.6
294.21057	0.6
313.20288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.78957	0.2
55.01873	0.4
55.05499	0.6
57.07066	0.6
58.02949	0.2
61.45056	0.2
67.05513	1.1
69.07067	0.5
70.03078	0.5
70.03474	0.4
71.08645	0.2
79.05472	1.0
80.05805	0.3
81.07053	1.7
81.81078	0.2
91.05479	0.8
92.05804	0.2
93.07041	0.4
94.04185	1.8
94.07407	0.2
95.08609	0.4
97.06534	0.4
98.10472	0.2
98.21384	0.2
105.07043	0.4
106.07394	0.2
107.04910	0.4
107.08580	0.5
108.08926	0.5
109.06517	0.4
121.10171	0.3
122.03649	6.4
123.11721	1.6
125.09628	0.3
134.10437	0.2
137.05978	100.0
138.06311	0.3
139.11186	0.2
141.12817	0.4
147.11703	0.2
158.15424	1.3
170.15450	2.8
170.16817	0.4
177.70505	0.2
223.28571	0.2
232.09232	0.2
238.11545	0.2
258.19559	0.4
265.05075	0.2
276.20404	1.7
294.21088	0.8
295.06030	0.2
305.04752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05507	3.8
56.04795	1.6
56.05038	11.2
56.96562	4.5
58.06580	1.9
60.04513	6.0
61.02932	3.0
63.10238	1.6
64.19148	1.5
67.05510	3.0
68.05029	1.7
69.03432	9.3
69.07064	6.3
70.02951	3.5
70.06596	35.5
71.04985	1.9
71.50733	2.1
72.04507	4.6
72.08156	15.6
73.02927	2.1
73.08501	1.5
73.81522	1.3
74.00710	1.3
74.06073	4.1
74.47582	1.3
80.11308	1.3
81.03403	1.5
81.07058	1.9
82.06577	2.9
83.04999	1.8
83.06107	38.6
84.04511	61.4
84.08149	100.0
85.02917	10.9
85.08486	8.7
86.02406	1.4
86.06056	2.1
86.09710	47.5
87.04478	3.4
87.05598	1.8
88.03997	13.3
91.05485	5.7
95.02445	1.4
95.06132	1.5
96.04527	3.2
96.08156	1.9
97.02909	9.2
98.09686	4.0
98.97593	6.5
101.07142	7.2
101.10781	2.0
102.05556	32.7
103.03939	2.2
103.05447	1.9
107.04970	1.7
109.02847	1.5
110.07182	10.6
111.07491	1.4
112.05095	8.9
112.08749	3.2
112.11248	1.8
114.05501	1.7
115.03921	2.5
115.08690	2.5
116.07087	4.5
116.98624	3.7
118.04994	4.5
119.04938	2.7
120.08109	87.1
124.03983	1.7
126.05537	2.9
126.06657	4.9
126.09256	1.4
127.03925	1.7
127.12304	7.6
128.10732	28.1
128.12701	3.8
129.06580	1.4
129.10249	25.4
130.05016	6.8
130.08676	6.0
132.10199	14.7
133.04973	1.7
135.04408	1.9
136.06160	7.1
136.07625	2.1
137.05948	2.8
138.09180	1.5
140.07133	1.9
141.10277	1.5
146.04520	3.0
147.04448	4.3
147.07658	3.7
147.11298	3.1
148.04749	3.0
149.04968	1.5
151.03893	2.7
156.10193	2.5
158.11771	8.5
158.99634	1.4
160.06052	1.3
162.05605	1.8
162.07646	17.3
163.03932	1.6
164.07076	9.1
166.08656	23.7
170.09283	1.4
170.11816	5.5
174.11276	12.0
175.11943	1.4
185.03952	1.4
186.09184	2.6
186.99037	1.3
188.12778	12.1
195.08850	2.5
216.12354	4.4
219.01753	2.0
230.13872	5.1
231.11314	12.2
234.13321	10.0
248.14952	64.7
259.10822	2.5
276.07892	1.3
276.13428	39.3
276.16556	2.0
277.11832	21.3
277.14975	2.1
294.15479	68.1
294.18329	8.4
294.21027	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.145
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
50.78762	0.3
55.01884	0.4
55.05517	0.7
56.05033	3.2
56.96565	0.6
57.03432	0.7
60.04527	1.1
60.05639	0.4
61.02907	0.5
66.94042	0.4
67.05499	1.3
69.03431	1.9
69.07074	0.5
69.57295	2.0
70.06596	4.6
72.08154	3.3
73.02899	0.6
74.06088	0.5
81.03430	0.7
81.07069	0.4
82.06552	0.4
83.06123	0.9
84.04513	23.0
84.08150	66.7
85.02911	2.6
85.08501	0.4
86.09702	3.1
88.03961	0.8
91.05475	1.4
93.07051	2.1
96.34690	0.4
97.02926	2.4
98.97598	1.4
101.07152	3.2
101.10783	2.2
102.05529	0.8
103.05476	5.4
109.02931	0.5
110.07170	1.5
112.07631	0.8
112.08740	0.5
113.95142	0.8
115.03951	0.5
116.07114	0.7
118.08666	1.5
119.01920	0.6
119.04961	0.4
120.02095	0.4
120.08114	100.0
127.03941	0.9
129.10254	12.8
130.05019	36.0
130.08667	2.7
131.04942	2.4
131.95161	0.5
131.96150	6.5
136.07571	1.1
137.05977	2.0
137.07953	1.0
143.01900	0.8
143.96162	1.4
144.02032	1.3
147.07657	42.3
147.11295	3.1
149.97229	1.1
152.07013	0.5
155.01804	0.6
161.02902	1.2
161.07034	0.4
161.97192	1.0
162.03075	1.5
162.07385	0.5
164.07083	3.8
165.10271	3.2
166.08681	0.8
173.95865	0.7
173.97223	7.4
174.03056	0.5
177.05403	0.4
178.04990	1.7
185.97205	1.0
186.09242	0.4
186.96828	0.6
188.07140	0.4
190.08580	0.4
191.98308	2.4
195.05025	0.5
203.03929	0.5
203.98259	1.4
204.04427	1.1
204.07292	0.7
222.05283	0.5
230.13800	0.5
233.99382	1.8
236.09206	0.5
249.12549	0.6
258.13309	1.0
259.10739	1.1
260.09155	1.1
276.14120	1.9
276.17001	0.6
277.11832	7.8
277.15414	3.9
294.14459	17.4
294.18079	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	293.2476
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05516	8.3
57.07064	4.8
59.05002	1.2
61.51447	1.1
65.03922	2.6
66.38147	1.2
67.05508	87.1
67.38828	1.1
69.07068	10.9
69.75829	5.6
79.05502	11.3
81.07061	100.0
83.04986	2.1
83.08628	6.6
85.06551	2.2
91.05480	4.4
93.07043	10.0
95.04987	2.0
95.08614	83.8
97.06535	2.3
97.10144	3.8
98.21454	2.2
101.05994	1.3
105.07037	3.4
107.08605	7.4
109.06544	1.4
109.10162	50.5
111.08082	2.4
111.11667	1.1
116.84859	1.0
117.07039	2.3
119.08579	4.5
121.10131	8.6
123.08063	3.2
123.11715	33.2
125.09602	2.5
131.08565	4.0
133.10167	6.6
133.11064	1.0
134.93704	1.0
135.11694	6.1
137.09601	3.4
137.13272	13.5
143.10600	1.6
145.10097	4.3
147.11685	3.3
149.09599	1.2
149.13243	5.0
151.11218	1.9
151.14783	4.1
154.90773	1.1
159.11681	3.1
161.13275	4.1
163.11206	3.3
163.14819	3.1
165.12775	2.9
173.13315	5.3
175.14885	1.3
177.12697	1.7
177.16348	2.7
179.14305	3.1
181.04961	2.0
187.14819	4.3
191.14375	1.7
201.16206	1.5
209.11746	3.0
209.15427	1.2
223.16656	1.4
228.14954	1.3
237.11256	7.5
237.18419	2.7
243.21138	7.3
261.22293	8.5
275.20004	1.8
277.17856	1.3
293.21362	2.4
293.24725	42.5
293.28082	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.66234	1.1
55.01899	1.4
55.05514	23.8
56.96558	1.8
57.07083	21.2
57.07355	2.4
67.05508	31.6
69.03418	2.6
69.07072	57.2
70.06590	2.1
70.41539	4.3
71.04999	3.4
71.08274	1.1
71.08633	7.3
71.08952	1.2
79.05494	11.9
79.21710	1.4
80.67675	1.1
81.03414	1.3
81.07058	97.2
83.04950	2.1
83.08622	43.7
84.08120	3.1
85.06537	11.8
85.10163	4.2
91.05496	7.0
93.07047	26.8
93.82452	1.0
95.05023	2.2
95.08609	100.0
96.36826	1.1
97.06528	4.8
97.10174	19.9
98.97585	1.9
99.08084	10.7
105.07024	5.4
107.08595	31.8
109.06519	1.3
109.10161	60.5
111.08057	8.4
111.11722	11.8
113.09668	2.4
119.08571	3.2
121.10144	16.9
123.11703	49.9
125.09641	3.7
125.13265	6.2
131.04951	1.8
131.08531	1.9
133.10130	2.1
135.11691	11.5
137.13258	38.4
139.11160	2.5
139.14793	2.8
145.02867	1.3
148.04747	1.4
149.13268	28.0
150.45711	1.3
151.11131	1.5
151.14816	7.4
153.12756	3.4
163.14871	9.3
165.16344	7.7
167.14330	15.4
169.15909	2.5
177.00691	1.1
177.16400	4.0
179.17963	4.1
191.17882	2.3
193.19527	3.6
205.19543	2.6
219.21085	2.3
223.20480	2.4
237.21968	1.5
249.25879	3.2
250.06284	2.4
251.52660	1.5
265.08557	2.8
275.20020	4.2
275.27319	12.6
293.07901	6.0
293.17606	2.5
293.21088	5.7
293.28394	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
51.76851	0.8
53.03928	1.8
55.01867	1.2
55.05511	9.9
56.14461	0.6
57.07080	1.9
65.03938	3.0
66.04777	0.7
67.05506	93.4
69.06689	0.9
69.07068	12.1
70.09904	2.2
73.37789	0.7
79.05492	15.6
81.07058	100.0
83.05000	0.9
83.08617	7.9
85.06542	2.7
91.05481	5.7
93.07051	16.3
95.04964	1.2
95.08608	88.0
97.06532	2.8
97.10194	3.0
105.07031	6.0
107.04970	1.1
107.08595	11.2
109.06512	1.5
109.10158	32.3
111.08091	2.3
111.11697	1.2
113.09671	0.6
115.07623	0.8
117.07028	2.6
119.08591	5.4
121.10152	10.0
123.08052	1.7
123.11707	18.5
125.09612	1.7
129.09119	0.9
131.08559	7.4
133.10159	3.6
134.04604	0.8
135.08058	1.4
135.11678	5.7
137.09650	3.0
137.13255	10.0
139.11188	1.2
145.10139	5.1
147.11732	3.5
149.09644	3.0
149.13289	4.4
151.11241	2.2
151.14821	4.6
159.11688	4.8
161.13297	3.1
163.11235	3.2
163.14900	3.2
165.12773	1.3
165.16438	1.3
173.13297	7.0
177.12779	3.7
177.16438	2.7
178.79297	0.7
179.14398	1.5
187.14813	4.7
191.14343	2.0
201.16347	1.1
205.15930	2.1
209.15347	1.2
219.21143	1.1
223.16975	1.1
237.11380	1.7
237.18559	1.9
243.21144	7.5
261.22122	8.7
275.20120	1.8
293.21228	2.9
293.24722	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03948	5.1
54.52850	2.3
55.01872	12.6
55.05510	58.5
55.25581	1.8
57.03426	3.5
59.05013	1.9
60.38842	2.3
67.05508	52.2
69.03420	4.2
69.07066	11.9
70.80402	5.1
71.04981	4.6
77.03911	2.1
77.71788	1.8
79.05495	100.0
81.03417	2.8
81.07057	36.4
83.04982	24.7
83.08627	18.2
90.88963	2.3
91.05484	33.0
93.07051	47.0
95.04967	6.7
95.08604	14.9
97.06523	5.5
97.10168	24.1
105.07031	33.8
107.04955	43.1
107.08601	69.4
109.06519	4.1
109.10148	22.2
111.08090	5.2
117.07029	8.6
119.08581	21.0
121.06454	2.6
121.10148	21.2
123.08061	2.6
123.11713	5.1
125.09640	30.7
128.69534	1.8
129.07027	2.2
131.08580	15.8
133.10129	17.7
135.08025	10.9
135.11684	4.5
137.09624	3.6
145.10167	9.8
146.85112	1.8
147.11687	19.5
149.09628	82.9
151.11134	2.2
153.09079	5.4
155.10629	2.4
159.11667	7.3
161.13252	7.4
163.11226	2.6
163.14810	3.9
169.12236	6.4
171.10188	5.4
171.11633	2.6
173.11745	5.2
173.13232	4.4
187.13358	4.8
189.11221	19.9
191.14342	2.5
194.37685	2.1
197.13130	2.9
205.12054	2.0
209.15433	7.2
215.17911	2.2
221.47906	2.1
229.19496	7.0
237.11147	2.0
239.18019	2.9
247.20584	5.0
257.18994	20.4
275.20074	97.2
293.21173	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03955	2.6
55.01874	11.1
55.05513	28.2
56.96566	2.9
57.03422	1.3
57.07075	1.3
59.84838	1.1
65.03918	2.5
67.05506	20.1
69.03416	2.6
69.07069	15.5
71.05022	1.5
71.22888	2.7
79.05496	50.7
80.96261	1.2
81.03410	4.9
81.07062	21.9
83.04978	4.3
83.08623	14.6
84.08131	1.5
85.06532	2.2
91.05482	29.1
93.07051	21.5
95.04990	7.9
95.08607	17.1
97.06539	12.9
97.10182	18.2
98.97610	2.9
105.07031	30.3
107.04991	10.1
107.08600	100.0
109.06531	4.5
109.10169	7.9
111.08067	3.5
116.10931	1.3
117.07032	5.6
119.06053	2.3
119.08591	15.3
121.06498	3.5
121.10157	10.5
123.08062	3.9
123.11715	2.1
125.09637	17.6
129.06952	1.7
131.08575	8.4
133.10139	17.1
135.08026	3.9
135.11694	5.9
137.09630	2.8
143.08551	3.3
145.10121	12.3
147.11708	11.1
149.09625	15.7
151.11200	4.3
151.41692	1.2
153.09160	1.1
153.12778	1.3
157.10103	2.9
159.11685	5.5
161.09621	1.6
161.13283	5.6
163.11197	4.9
165.09135	2.2
165.12740	1.2
171.10217	1.7
171.11699	3.4
173.13264	4.2
177.12827	2.3
177.38737	1.1
178.28893	1.1
181.10280	1.1
181.12202	2.7
183.11707	3.4
187.11116	2.4
187.13287	1.8
188.55685	1.1
189.11240	13.4
197.13278	2.1
199.51335	1.1
201.12770	1.5
215.17862	1.2
229.19534	3.3
239.17914	4.1
247.20586	2.8
257.19061	9.6
275.20071	83.6
277.92920	1.3
293.21088	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	4.9
55.01871	10.5
55.05272	2.2
55.05514	23.5
56.96564	4.4
57.03440	13.6
59.04988	1.9
67.05513	29.4
69.07072	15.4
70.46104	3.2
70.46436	2.3
71.04984	3.3
79.05495	42.3
81.03423	4.6
81.07062	35.4
83.04987	4.4
83.08631	11.5
84.08110	1.7
85.06541	5.4
91.05486	34.6
93.07045	40.6
95.04984	7.3
95.08614	27.3
97.06522	9.8
97.10161	11.7
98.21629	2.0
98.97585	2.0
105.07040	38.9
106.40315	1.5
107.04954	6.2
107.08594	60.3
109.06519	12.5
109.10169	9.9
110.78989	1.6
111.08059	3.9
113.09573	1.6
116.98589	1.9
117.07024	10.9
119.08589	31.3
121.06497	3.7
121.10159	14.1
123.08057	6.6
123.11726	3.9
125.09623	7.0
129.07037	4.0
131.08568	14.1
133.10126	19.2
135.08035	4.6
135.11705	5.0
137.09698	4.0
141.06946	2.8
143.08560	3.9
145.10129	13.9
147.11688	12.6
149.09634	11.3
149.13268	1.7
151.11192	4.9
157.10141	4.1
158.02600	2.0
159.11693	14.2
159.74785	1.6
161.09566	3.2
161.13210	12.4
163.11191	4.7
165.12769	2.2
169.10046	2.1
171.11574	3.4
173.13284	6.5
175.11143	1.8
175.14874	3.3
177.05467	10.5
177.12808	2.9
178.06273	8.7
181.12201	2.4
185.13280	13.1
187.11188	1.8
189.11232	5.7
191.07065	2.0
197.13306	1.9
201.16316	3.0
203.14343	10.1
213.16165	2.0
219.17442	20.5
221.15396	14.0
229.19547	2.4
233.11688	12.0
233.18857	2.4
239.17947	8.6
247.20740	2.2
251.04480	2.0
257.19031	18.0
258.99045	1.5
275.20068	100.0
293.17889	2.6
293.21124	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03942	6.5
55.01877	28.7
55.05516	30.0
57.03429	7.2
57.07074	4.1
59.05017	2.8
61.65371	2.0
63.66275	2.1
65.03931	4.1
67.05511	55.0
69.03429	7.5
69.07072	25.7
69.82521	12.2
71.04980	9.1
71.08643	4.1
72.81342	2.2
79.05502	52.3
81.03408	6.9
81.07063	100.0
83.04987	8.6
83.08630	19.3
85.06517	4.4
86.79108	2.0
87.04465	2.1
91.05484	43.4
93.06487	3.5
93.07050	47.4
95.04982	23.1
95.08614	51.9
97.06522	13.4
97.10157	7.1
99.08070	2.9
105.07040	46.0
107.04961	10.1
107.08607	36.1
109.06522	27.1
109.10165	30.0
109.91505	2.0
111.08093	35.2
117.07047	12.1
119.08588	40.9
121.06551	5.6
121.10143	19.1
123.08062	13.7
123.11694	8.7
125.09612	7.8
129.07028	4.2
131.08568	18.4
133.10153	26.1
135.08041	8.8
135.10780	2.3
135.11699	9.4
137.05984	20.0
137.09602	26.3
140.99576	2.3
143.08546	4.3
145.10121	19.9
147.08067	2.5
147.11702	20.2
149.09610	14.7
149.13269	6.0
151.11165	10.0
153.81660	2.1
155.10696	2.9
157.10146	5.4
159.08049	3.2
159.11714	11.7
160.28340	2.1
161.09598	4.3
161.13171	4.8
163.11163	13.9
165.09138	3.6
165.12781	5.3
171.11700	5.4
173.13274	6.7
175.11168	3.9
177.12758	6.0
179.10626	2.4
183.11740	3.2
187.11261	2.6
187.14906	3.0
189.11232	2.9
193.12315	3.0
195.13788	2.9
197.13249	2.8
201.12770	4.0
209.11691	2.2
219.17375	3.7
229.19513	5.7
239.17969	6.1
247.20596	7.6
257.19092	12.2
275.20102	84.9
275.23169	4.2
293.17560	2.1
293.21072	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03945	5.3
54.86259	1.5
55.01880	21.5
55.05514	28.0
56.96569	3.2
57.07079	13.4
58.22393	1.7
64.20024	1.8
65.03966	2.1
67.05183	2.2
67.05512	34.4
69.03421	2.8
69.07077	21.0
70.76560	5.1
71.04970	3.9
71.08617	3.9
71.49557	1.5
74.53692	1.8
79.05495	46.2
81.03410	7.1
81.07066	32.9
83.04974	7.3
83.08629	15.9
85.06541	3.5
91.05486	27.8
93.07049	29.8
95.04971	14.1
95.08619	24.2
97.06529	25.6
97.10180	16.2
98.21406	2.5
99.08059	2.6
105.07033	30.5
107.04962	12.3
107.08603	73.7
109.06507	7.0
109.10133	8.7
109.15504	1.5
111.04449	3.5
111.08064	5.0
114.59075	1.6
114.98870	1.9
117.07050	9.1
119.08584	22.7
121.06501	3.3
121.10137	9.9
122.03662	1.9
123.08058	3.6
123.11725	5.6
125.09651	15.8
127.07581	1.7
131.08583	10.8
133.10152	19.5
135.08023	5.2
135.11717	5.8
137.05986	27.2
137.09595	6.0
139.11238	2.2
143.08554	3.7
145.10126	15.7
147.11723	16.3
149.09637	20.2
151.11139	4.1
153.05450	3.7
157.10057	1.7
159.11716	11.8
161.09634	3.6
161.13268	5.2
163.11206	13.9
165.09109	3.9
169.10146	2.7
171.11642	3.2
173.11847	2.7
173.13329	4.5
177.12755	4.0
181.04942	4.2
181.59253	2.1
187.11086	3.3
189.11224	13.2
191.10710	6.5
195.10243	2.6
197.13268	2.5
203.12753	2.5
209.11607	10.8
221.08247	3.0
223.13304	1.9
229.19504	5.7
237.11208	18.7
239.17999	4.6
247.08572	2.3
247.20587	4.2
257.19031	13.3
275.20068	100.0
293.18204	2.9
293.21140	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.70452	1.4
53.03937	4.7
55.01874	11.4
55.05513	44.7
56.96557	2.3
57.03436	3.3
57.07061	2.0
59.04994	2.0
65.03926	2.0
67.05511	46.7
69.03426	3.4
69.07079	20.1
70.76428	3.1
70.76762	2.4
71.04980	6.0
74.55518	1.3
79.05499	58.6
81.03402	6.5
81.07066	36.8
83.04968	5.8
83.08619	20.6
85.02904	2.1
85.06568	1.9
91.05492	40.2
93.06500	2.2
93.07051	32.0
95.04972	22.8
95.08612	32.9
97.06535	12.2
97.10173	25.4
98.97601	1.8
105.07039	43.9
107.04948	9.3
107.08602	100.0
109.06523	8.1
109.10165	21.1
111.08057	5.8
111.11796	1.6
115.12040	1.4
117.07023	10.1
118.14345	1.4
118.48351	1.5
119.08586	25.0
121.06490	3.9
121.10143	19.0
123.08041	6.5
123.08834	1.5
123.11697	3.4
125.09638	18.8
129.06976	3.6
131.08588	15.0
133.06447	2.1
133.10139	26.7
135.08093	7.7
135.11690	5.9
137.05951	2.7
137.09616	12.9
139.11186	5.0
141.06958	2.3
143.08588	2.1
143.53877	1.3
145.10143	16.1
145.70605	1.4
147.08107	1.4
147.11705	11.5
149.09615	16.7
149.13275	3.1
151.09666	1.5
151.11136	3.1
153.09145	1.5
155.10667	3.0
157.10175	3.3
159.11685	9.9
161.09654	1.7
161.13295	3.9
163.11208	10.0
165.09126	1.5
167.10596	1.5
171.10205	2.8
171.11649	5.0
173.11783	1.9
173.13255	5.6
177.12727	3.1
181.12161	2.2
183.11681	3.3
185.13312	1.5
187.13301	1.8
189.11198	17.0
197.13306	3.2
203.12746	3.6
205.12276	2.6
219.13768	2.0
223.13306	8.2
229.07341	3.1
229.19385	3.2
237.11151	1.8
239.17958	6.9
247.08498	2.0
247.20656	3.4
257.18988	12.5
275.20084	95.5
293.21112	45.0
304.80435	1.3
311.11850	1.6
312.68399	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06598	3.1
59.07383	2.3
60.05371	0.5
60.05654	6.8
60.66934	0.3
69.88750	0.9
70.06599	11.1
72.08167	0.8
74.09700	1.2
77.39105	0.2
101.00910	0.3
112.08742	0.8
116.07103	5.2
116.07858	0.4
118.08662	100.0
130.09778	2.1
132.02094	0.9
156.04239	3.0
156.08711	0.4
157.10892	0.5
158.06659	1.0
158.09239	1.7
173.03011	0.3
174.09872	0.4
175.11919	32.2
176.01126	1.8
176.07675	1.3
194.04297	0.7
200.07729	4.2
202.07497	0.4
218.08751	4.0
232.10419	0.4
249.12230	0.3
267.95377	0.3
292.12457	0.5
292.19928	1.5
293.06494	0.6
293.11221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05638	3.1
70.06578	7.0
70.75025	5.7
72.08112	2.1
73.02897	2.2
74.63580	1.8
82.99850	5.4
84.04491	9.0
84.08100	2.7
85.02889	2.1
95.08601	2.1
97.02858	3.4
98.91156	2.1
101.00295	2.7
101.00896	33.8
113.00831	7.2
115.02406	7.1
118.08656	43.6
119.01933	33.4
119.09026	17.0
127.92991	2.2
131.01938	16.2
132.02080	3.9
133.03474	18.3
135.82608	1.9
136.07535	9.0
137.02927	3.0
142.01140	3.0
143.01907	81.5
145.03439	4.8
155.01927	30.4
157.03526	13.5
161.02965	100.0
173.02972	56.8
175.04520	8.1
175.11891	6.8
176.01045	8.8
176.12173	8.5
176.66798	2.1
182.08037	6.9
184.04561	3.0
185.02956	16.0
187.04347	3.2
190.52635	2.0
191.04065	10.0
203.02280	3.5
203.04019	39.4
221.05086	20.2
239.06073	13.3
247.10738	5.0
275.06018	8.5
293.03378	9.6
293.06357	73.8
293.11090	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	292.1292
Annotation	H-TRP-SER-OH
Peak:m/z	Relative Intensity
54.93209	0.6
55.05494	1.1
56.05019	2.4
58.06583	1.1
60.04528	34.0
69.72725	2.5
70.02957	3.2
70.06593	11.0
72.08157	10.7
74.06053	1.4
75.09238	0.5
81.03404	0.6
84.04502	3.3
84.07701	0.8
84.08153	9.2
85.02912	1.2
85.04028	5.4
85.08459	0.9
86.09702	4.3
87.04443	0.5
87.05571	1.0
88.03993	0.8
88.08167	0.5
91.05478	1.9
97.02906	0.8
98.20799	0.8
98.97584	1.6
101.07133	1.2
102.05540	1.1
103.05458	0.6
104.05323	2.0
105.06590	0.6
110.07181	3.8
112.11267	4.2
113.07132	1.5
115.05038	10.1
116.07094	1.5
116.98623	0.8
117.05788	0.7
117.06980	0.7
118.06551	10.2
119.04949	6.6
120.08080	1.3
127.03889	0.9
129.10217	4.3
129.13922	1.7
130.06525	12.4
130.10603	0.6
132.08083	13.9
136.07562	1.6
137.05981	0.9
142.06480	1.4
143.07272	1.7
144.08095	13.6
146.06020	50.1
146.16553	1.5
147.04417	30.1
148.04781	1.9
155.11821	0.6
156.07803	1.2
158.06065	0.6
158.08351	1.6
159.09189	12.3
160.07594	1.5
164.07422	2.5
169.07562	0.8
170.06027	6.6
183.09198	1.5
187.08707	4.0
188.07072	100.0
195.18916	0.5
204.01234	0.8
204.10251	2.3
205.09738	53.8
218.11784	2.7
221.09592	0.9
229.09529	0.7
245.09216	3.2
246.12383	13.6
248.14868	3.0
274.11917	5.9
275.17551	2.2
292.12921	34.4
292.20126	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03947	2.2
55.01862	3.6
55.05513	24.3
56.63905	1.2
57.03418	1.8
57.07076	12.8
59.04999	1.6
65.03933	1.7
65.20000	0.9
67.05502	33.0
68.96563	1.0
69.03419	5.3
69.07069	49.2
70.06567	1.4
71.04991	7.4
71.08617	4.6
71.28081	1.0
71.52011	0.9
72.08128	1.3
77.03941	1.3
79.05496	16.7
81.03420	2.8
81.07057	100.0
81.69227	0.9
83.04966	2.6
83.08619	23.7
84.04495	2.6
84.08133	1.1
85.02920	1.7
85.06535	5.5
86.09695	1.1
91.05476	14.1
92.34254	1.0
93.07043	34.4
95.04955	3.3
95.08607	92.9
97.06525	7.5
97.10162	13.7
98.97584	3.3
98.98539	1.4
99.08077	2.5
103.05510	1.1
105.07037	21.1
107.04971	2.1
107.08595	39.4
109.06547	5.3
109.10154	55.6
111.08086	11.3
111.11716	7.9
113.02367	0.9
113.09633	1.9
115.86820	1.1
116.98670	1.1
117.07011	2.9
119.08587	16.2
121.06525	2.3
121.10146	30.1
123.08092	3.4
123.11706	46.4
125.09644	5.3
125.13233	2.9
127.11227	2.0
129.06981	2.2
130.06514	2.9
131.04982	1.0
131.08580	4.5
132.08121	1.9
133.10130	11.9
135.08073	3.2
135.11690	21.8
137.05910	1.1
137.09607	1.2
137.13246	18.2
139.11156	4.3
142.07791	2.0
143.08569	3.6
145.10152	4.3
147.04369	1.5
147.08055	1.2
147.11694	13.6
149.09602	3.9
149.13268	26.0
151.07492	2.1
151.11115	2.3
151.14813	4.6
153.12733	4.3
157.10135	4.5
159.08011	1.2
159.09212	2.3
159.11664	2.7
161.09628	1.4
161.13264	10.7
163.14827	18.1
165.12764	3.5
165.16374	2.5
167.14281	2.8
171.11671	1.4
173.13229	1.1
175.11090	1.1
175.14819	4.2
177.05397	2.4
177.16385	11.2
179.14337	2.4
179.17877	1.4
184.13887	1.1
185.07158	1.2
185.13239	10.3
187.14822	4.3
189.16391	4.2
191.08549	3.5
191.17902	5.7
192.09419	1.4
193.19560	1.0
202.07758	9.5
203.08524	13.8
203.17970	6.3
205.06418	2.4
205.19479	2.3
209.18918	1.2
213.12898	1.2
215.08624	1.5
217.15923	1.2
217.19499	7.7
219.08064	6.2
220.08858	5.7
221.18988	1.4
222.06827	1.3
227.08270	2.2
230.07268	2.3
231.05780	1.4
231.08052	24.3
231.13744	1.1
232.08832	6.3
233.05876	1.2
233.15274	1.5
235.20578	1.4
245.09250	3.6
245.15491	2.5
247.07562	5.4
247.24271	2.4
248.08328	13.8
255.17641	1.3
258.06851	2.2
259.07553	22.8
260.08304	21.8
261.09006	1.5
262.10028	1.8
263.06723	1.2
263.10718	6.3
273.18457	5.4
273.25766	22.9
275.06952	2.3
276.07837	10.8
291.06976	3.1
291.10153	78.7
291.15668	5.9
291.19562	17.5
291.26797	65.2
292.10553	2.4
292.26996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2683
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.42611	0.8
52.77321	0.7
53.03937	3.1
55.01884	4.3
55.05515	27.6
57.03450	5.9
57.03694	1.3
57.06836	1.1
57.07081	15.4
57.55707	0.8
59.04995	1.6
63.67944	0.7
65.03941	2.0
67.05510	37.8
69.03444	5.1
69.07073	50.7
70.23447	0.9
71.05006	6.2
71.08633	9.8
71.51772	0.9
79.05497	26.9
81.03422	6.0
81.07063	100.0
83.04993	5.9
83.08163	1.3
83.08626	26.2
85.06543	5.2
85.10181	2.1
91.05480	21.5
93.07049	43.6
94.07368	1.1
95.04976	11.7
95.08613	93.0
97.06538	6.4
97.10177	12.8
98.97564	3.2
98.98481	1.3
99.08094	2.3
105.06312	1.1
105.07034	30.7
107.04972	5.4
107.08600	42.5
109.06546	9.9
109.10166	53.0
111.08092	9.5
111.11729	8.5
113.09605	1.3
115.05450	1.3
116.98630	1.1
117.07022	5.7
119.08597	26.3
121.06516	6.7
121.10147	30.5
123.08102	8.9
123.11718	35.4
125.09627	3.3
125.13280	1.9
127.11233	0.9
128.06189	1.4
129.06984	4.1
130.06523	2.6
130.07805	0.9
131.08594	10.6
132.08084	1.0
133.06532	2.1
133.10144	14.7
135.08055	6.7
135.10704	1.4
135.11703	23.0
136.11891	0.9
137.06006	1.0
137.09605	1.9
137.13268	16.7
139.11168	3.8
141.76015	0.9
142.07816	2.6
143.08571	13.2
144.09323	1.9
145.10136	9.1
147.08051	4.3
147.11700	20.4
149.09647	9.3
149.13261	22.4
151.07564	1.9
151.11227	1.8
151.14850	4.6
153.12721	3.9
155.08568	1.2
156.09343	2.3
157.10126	12.9
158.10876	1.6
159.08023	1.2
159.09219	2.2
159.11671	12.2
161.09622	3.5
161.13278	11.4
163.11174	3.6
163.14828	17.4
165.12741	3.2
165.16396	4.3
167.14352	2.7
169.08594	1.0
170.10942	1.0
171.11682	2.9
173.09630	1.4
173.13304	1.6
175.11186	1.2
175.14807	5.5
177.16386	8.1
179.14307	2.2
179.17946	3.2
183.11658	1.0
185.13275	41.8
187.14825	13.1
188.07100	1.1
189.12784	1.2
189.16374	4.9
191.18027	5.3
193.19501	2.0
195.11751	0.9
199.14842	1.9
203.17957	5.3
205.19490	2.0
207.13795	1.2
209.11650	1.1
211.15086	1.0
213.12706	3.5
217.15887	5.5
217.19473	8.8
219.13808	1.3
231.13762	4.4
231.21106	1.2
235.20714	1.8
237.16486	1.2
245.09273	1.6
245.15410	9.4
247.24165	3.4
255.17319	1.9
273.14941	2.7
273.18433	9.1
273.25803	23.6
291.10168	4.7
291.13080	1.3
291.16165	2.3
291.19580	39.4
291.26807	68.8
292.07190	1.6
292.20062	1.2
292.26941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
52.10094	1.2
53.03930	3.9
55.01862	3.7
55.05519	18.0
57.03425	1.9
57.07073	3.3
67.05506	37.0
69.07069	15.3
69.42826	8.6
74.85648	1.2
77.03939	1.7
79.05498	68.4
80.63986	1.2
81.06600	2.3
81.07064	43.4
81.37100	1.3
83.04976	2.7
83.08619	8.1
85.06548	3.9
91.05486	28.6
93.07047	100.0
95.04966	4.4
95.08617	26.3
97.06520	2.5
97.10146	4.4
99.08083	2.1
105.07037	16.2
107.08599	54.1
109.06515	8.4
109.10155	14.8
111.11768	1.4
113.09536	1.2
117.06994	4.9
119.08596	14.2
121.10145	48.3
123.08063	2.7
123.11729	3.5
125.09590	1.8
131.08557	6.8
133.10136	14.7
135.08060	10.3
135.11693	49.4
137.09613	2.5
143.08543	2.9
145.10106	4.9
147.11679	8.9
149.09583	3.4
149.13257	29.9
151.11119	2.3
157.10132	2.5
159.11705	5.1
161.09607	1.8
161.13268	6.5
163.11227	2.9
163.14798	9.8
171.11673	4.3
173.13287	3.6
175.11182	2.0
175.14809	4.4
177.12794	3.4
185.13281	4.5
189.12640	1.8
195.13655	1.9
199.14835	2.5
203.14154	1.5
207.13715	2.0
217.15959	2.3
217.19518	2.4
221.15367	3.0
235.16841	1.6
241.19466	4.6
245.10577	1.5
249.18530	2.6
259.20560	9.6
273.18460	2.3
291.19662	8.0
291.23163	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.47131	0.9
51.02369	1.3
53.03950	5.7
55.01862	1.1
55.05269	1.4
55.05514	17.1
57.07076	2.8
59.04956	1.0
65.03934	1.8
67.05508	40.6
69.07077	15.7
69.29946	8.1
79.05497	75.4
81.07060	47.2
83.04985	1.4
83.08627	6.4
85.06542	2.8
91.05486	25.4
93.07046	100.0
95.04969	5.3
95.08617	30.4
97.06515	2.5
97.10156	3.9
99.08131	1.2
100.72615	0.9
105.04529	2.9
105.07034	17.4
106.00065	1.0
107.08599	53.6
109.06510	2.5
109.10155	14.3
111.08073	1.8
117.07023	3.7
119.06024	1.2
119.08587	16.2
119.51044	0.9
121.10146	48.7
123.08049	2.2
123.11716	5.6
125.09649	1.1
129.07022	1.6
131.08563	5.6
133.10144	13.1
135.08061	2.7
135.11696	62.2
137.09624	1.6
139.11153	1.8
143.08548	2.7
145.10112	4.8
147.11703	9.9
149.09615	3.5
149.13264	34.2
157.10149	2.6
159.11696	5.5
161.09625	1.6
161.13275	9.3
163.11179	4.3
163.14839	10.5
171.11685	2.9
173.13274	2.3
175.14798	5.7
177.12811	3.5
185.13239	3.8
189.12744	2.4
199.14856	1.4
203.14232	1.7
207.13750	2.1
209.15341	2.1
213.16386	2.3
217.15984	1.5
217.19453	2.1
221.15332	2.8
235.16924	1.8
241.19426	6.7
249.18413	4.0
259.20584	11.6
291.23187	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03928	7.6
55.01867	13.1
55.05274	3.1
55.05514	44.3
56.96553	5.0
57.03432	3.6
57.07063	3.3
59.16901	1.9
65.03943	2.2
67.05194	2.3
67.05510	35.9
69.03420	9.5
69.07060	11.7
69.77048	12.3
71.04981	7.1
79.05497	66.0
81.03420	4.9
81.06602	3.8
81.07065	66.8
83.04971	10.4
83.08631	21.3
85.06542	6.0
91.04912	3.7
91.05479	56.7
93.07047	32.6
95.04963	13.0
95.08597	23.6
97.06518	3.8
97.10174	26.3
98.98457	3.6
103.05505	3.5
105.03407	4.9
105.07036	33.9
107.04965	19.3
107.08601	24.4
109.06512	7.3
109.10143	13.6
111.08089	4.4
115.05452	2.5
116.06278	2.4
117.07021	30.3
119.04916	3.7
119.08583	77.3
120.08056	4.0
121.06508	14.8
121.10142	10.4
122.17072	2.0
123.08053	9.8
125.09634	25.7
126.71635	2.1
128.06230	3.3
129.06999	12.0
130.06566	2.3
130.07727	2.7
131.08557	32.1
132.05666	3.4
133.06508	5.4
133.10147	10.6
135.08073	20.2
135.11717	3.1
137.09673	5.2
141.06940	2.7
143.08586	26.7
144.09326	2.8
145.06483	3.7
145.10129	27.4
147.08043	42.0
147.11627	4.2
149.09641	8.2
151.07581	4.8
153.09195	2.5
155.08589	3.0
155.23364	2.2
157.10120	16.9
159.11710	16.9
161.09636	11.0
161.13254	4.8
163.03940	3.2
163.11183	4.7
171.11658	8.4
173.11746	2.2
175.11234	2.9
185.13263	38.3
187.14812	10.5
189.11229	16.6
189.12721	3.8
193.05022	2.7
193.12241	7.0
203.14355	3.6
207.13837	2.8
213.12697	3.8
217.15822	4.2
227.17911	4.3
231.13925	3.2
237.16513	3.2
245.15434	9.2
245.19005	5.2
249.14806	8.1
255.17392	13.8
273.15472	5.4
273.18497	100.0
291.16418	3.2
291.19553	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
51.56328	1.1
53.03943	2.6
55.01871	3.4
55.05518	10.5
56.96566	1.4
57.03427	4.2
57.07077	6.5
58.07395	1.4
59.05000	2.2
65.03936	1.2
66.25810	1.1
67.05247	1.0
67.05511	11.5
69.03414	4.3
69.07063	7.1
70.06588	5.6
70.51809	2.5
71.04977	4.0
79.05492	14.6
81.03416	2.1
81.07055	19.0
83.04973	3.8
83.08612	5.0
85.02920	1.8
85.06530	4.1
88.07636	6.3
91.05479	15.9
93.07050	20.0
95.04978	8.8
95.08612	17.9
97.06528	6.9
98.97560	1.4
102.09160	4.0
103.05447	1.8
105.07040	19.5
107.04956	8.8
107.08612	13.5
108.63223	1.2
109.05806	1.8
109.06520	26.1
109.10151	5.3
111.04501	1.4
111.08082	33.1
113.09653	2.4
115.05399	1.4
117.07009	6.3
119.08599	18.4
121.06481	3.9
121.10140	10.6
122.07294	1.4
123.08061	34.7
123.11712	1.2
129.06992	4.8
130.07758	1.6
131.08588	12.2
133.06500	3.7
133.10138	11.6
135.08066	15.8
135.11676	4.9
137.09599	5.5
139.07582	1.2
141.06979	1.7
143.08554	4.0
144.09302	1.1
145.10121	20.3
147.08054	7.4
147.11697	9.5
148.08818	1.9
149.09575	11.5
151.07553	100.0
155.10670	2.2
156.09312	2.1
157.10164	7.3
159.08125	2.8
159.11665	8.6
161.09628	7.8
163.11198	5.6
165.09126	2.0
170.06119	1.2
171.11668	6.9
173.09521	1.9
173.13264	9.1
174.10457	2.1
175.11128	6.8
177.09123	2.6
177.12706	3.3
179.10675	5.3
183.11700	2.0
185.13190	3.0
187.11194	4.5
187.14738	2.4
189.12756	32.1
191.10681	1.4
191.14297	7.8
192.11423	5.1
197.11752	16.2
197.13356	2.6
199.14856	1.8
201.12787	1.7
203.14317	3.1
207.13806	69.0
213.16441	2.2
215.14314	8.0
217.12274	2.5
217.15860	3.7
227.18004	1.7
228.23236	2.5
229.23541	16.0
231.17479	3.2
233.15395	25.1
235.13286	1.9
237.16312	1.7
245.18958	1.5
249.18497	1.6
255.17361	6.6
273.18506	20.9
273.26266	1.6
291.16183	4.1
291.19547	89.3
291.27155	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	291.1015
Annotation	Aurin
Peak:m/z	Relative Intensity
50.39483	0.1
55.05492	0.4
57.03417	0.2
57.07067	0.2
67.05486	0.6
69.03406	0.3
69.07045	0.4
70.06574	0.6
79.05473	0.5
81.07062	1.0
83.08585	0.2
84.04499	0.2
84.08120	0.2
85.02895	0.2
88.07606	0.3
91.05463	0.6
93.07028	0.6
95.04951	0.3
95.08582	0.6
97.10192	0.2
97.31169	0.1
98.97576	0.4
98.98438	0.1
103.05459	0.2
105.07023	0.7
107.04941	0.4
107.08570	0.5
109.06520	0.2
109.10136	0.4
113.06036	0.2
115.05463	0.3
117.07008	0.2
119.08595	0.8
121.10132	0.5
123.11659	0.2
131.08588	0.2
132.10153	0.3
133.10155	0.2
135.08060	0.2
135.11667	0.4
139.05467	0.2
145.10078	0.3
147.07996	0.2
147.11641	0.4
149.09624	0.1
150.11234	0.4
152.06210	0.2
157.06453	0.2
159.09174	0.3
159.11700	0.3
161.05957	0.2
161.13243	0.2
165.07007	0.9
166.07834	0.2
177.06996	0.3
178.07748	0.5
179.08548	0.3
181.06406	0.2
182.07263	0.1
185.13327	0.3
188.07053	0.2
189.07024	0.9
190.07745	0.4
191.08539	4.9
192.09329	2.1
193.06497	0.2
193.75122	0.1
194.07309	0.2
201.06903	0.4
202.07771	13.8
203.08554	17.3
204.09398	1.7
205.06474	2.2
205.10130	0.5
206.07198	0.5
207.08110	0.5
213.06937	0.9
215.08557	1.6
217.06514	0.3
217.10060	0.3
217.15901	0.4
218.07294	0.6
219.08037	8.7
220.08826	7.2
220.11028	0.3
221.06007	0.2
221.09456	0.3
222.06720	0.7
229.06561	0.5
230.07268	3.2
231.08047	27.9
232.08821	7.1
232.11171	0.3
233.05959	0.8
233.09589	0.6
234.06680	0.6
234.10431	0.3
235.07501	0.8
235.11166	1.5
241.06464	0.6
242.07188	0.5
243.08041	0.6
245.05963	0.3
245.09633	1.2
247.04926	0.3
247.07533	6.5
248.08322	19.0
249.05383	0.3
249.09007	0.4
258.06766	2.5
259.07541	26.8
260.08319	24.7
261.05475	0.3
261.09003	0.9
262.09854	1.7
263.10675	8.9
273.05502	0.2
273.09103	0.7
273.18567	0.4
274.09930	0.6
275.07013	3.1
276.07816	13.5
290.26862	0.4
291.10141	100.0
291.27060	2.6
292.10538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30215	0.8
69.76798	2.9
69.77206	1.9
72.02502	0.9
73.83032	0.8
87.00837	2.0
88.03966	1.5
95.45890	0.8
98.97576	1.3
115.05453	4.1
115.06229	0.7
117.05741	1.8
118.06543	10.2
129.06940	1.0
130.06534	100.0
131.06799	0.9
132.08093	37.9
142.06526	11.7
143.07191	1.4
144.08093	4.9
146.06018	18.7
156.02940	1.1
156.06929	1.0
156.08058	4.1
157.07605	5.4
158.06038	1.2
158.08429	5.6
159.09187	91.6
160.07626	5.6
167.06039	2.1
169.07632	3.6
170.06021	30.7
171.06866	1.2
172.07562	1.4
174.03978	2.2
181.07568	2.6
182.05965	0.9
183.09201	6.2
184.06113	1.0
184.07608	15.6
185.07117	42.2
187.08669	5.1
188.07077	37.2
193.41280	1.0
199.08665	2.6
200.07071	9.4
201.10245	15.6
205.09583	1.3
209.07079	1.5
227.08153	46.5
229.09715	2.3
231.07631	2.4
245.09232	98.4
255.07509	4.7
256.45160	0.8
273.08719	12.9
291.09738	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	291.0977
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
55.18919	0.7
56.66407	0.7
66.66926	0.7
70.68279	2.2
87.00827	1.2
88.03993	1.7
89.86596	0.9
115.05461	3.9
115.55165	0.8
117.05749	1.7
118.06548	13.4
129.07013	1.0
130.06532	99.5
132.08096	39.5
136.27426	0.8
142.06538	12.6
143.07286	2.4
144.08081	5.7
146.06021	20.8
154.06517	1.0
156.02940	1.3
156.08076	2.8
157.07622	6.0
158.06122	1.2
158.08409	5.2
159.09186	93.8
160.07582	7.2
167.06079	2.5
169.07613	3.8
170.06021	33.9
171.09155	0.8
172.07635	2.1
174.03967	1.5
181.07643	1.8
182.05995	1.7
183.09212	4.7
184.07591	16.7
185.07109	47.9
187.08672	4.7
188.07072	40.1
188.08778	1.2
192.04187	0.8
199.08693	2.8
200.07068	11.3
201.10240	12.8
205.09718	1.8
209.07153	1.4
225.58072	0.8
227.08167	47.7
229.09732	3.1
231.07640	3.2
245.09230	100.0
255.07726	3.8
273.08719	13.4
291.09726	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	290.269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	6.1
58.06592	1.1
68.04993	0.3
70.06209	0.7
70.06595	13.9
71.08614	1.4
79.39373	0.3
85.10175	1.2
88.07632	17.2
99.83930	0.3
102.09185	10.6
104.59663	0.3
132.10175	0.7
146.11752	0.5
184.20644	1.1
228.23235	38.5
272.25888	2.1
278.65503	0.3
290.26898	100.0
291.27222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.6
56.05036	8.3
57.06794	0.3
57.07077	6.6
58.06601	5.1
60.04529	1.5
65.08723	0.1
68.05031	0.6
69.07064	0.4
70.06570	0.1
70.95747	0.3
71.08632	3.1
72.04491	0.1
74.06081	9.1
83.08620	0.2
85.10183	1.1
85.59109	0.1
86.06077	1.4
88.07631	29.8
90.05589	0.3
95.98617	0.1
100.49574	0.1
102.78194	0.1
104.07124	0.6
108.18297	0.1
118.08655	5.6
122.08142	5.1
131.88747	0.1
146.93372	0.1
157.82500	0.1
210.22197	0.4
228.23260	0.6
242.24782	37.6
243.25124	0.2
254.24927	0.3
272.25851	1.7
290.26886	100.0
291.27249	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63664	0.2
55.05498	0.3
56.05030	0.4
56.96558	0.4
57.07077	6.7
58.06595	0.4
67.05535	0.3
69.07061	0.5
70.06594	12.6
71.08636	1.7
74.06057	0.3
79.05486	0.3
81.07034	0.3
84.04498	0.9
84.08125	1.1
85.10188	1.3
86.09686	0.8
88.07632	13.6
102.09176	0.8
106.08666	2.0
114.09171	4.4
118.08647	1.3
130.08679	0.4
132.10207	19.9
148.09718	0.3
149.06047	0.4
150.11253	16.8
157.74069	0.2
171.97186	0.2
180.06033	0.2
214.21620	1.3
228.23285	1.3
246.24278	6.1
290.26889	100.0
291.27090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03904	0.7
55.01817	0.5
55.05459	1.3
56.96509	0.9
57.03375	0.6
57.06995	0.8
67.01788	2.0
67.02126	0.8
67.05428	2.1
68.99720	2.0
69.00060	0.7
69.03352	1.9
69.06989	2.1
70.06540	0.6
71.04941	0.7
71.51701	0.5
73.36412	0.4
78.61328	0.4
79.05496	3.0
81.03375	0.7
81.07059	5.0
81.45900	0.5
83.01241	0.6
83.04902	0.6
83.08569	1.2
84.08054	0.6
89.03925	4.6
91.05475	2.3
93.03367	0.7
93.07038	4.1
93.87636	0.5
95.04903	1.8
95.08621	4.1
97.02844	1.3
97.10126	1.2
98.97538	0.6
103.05405	0.5
105.07022	2.7
107.04951	2.7
107.08601	4.0
109.06414	0.6
109.10167	3.1
111.00813	2.3
111.04447	3.1
117.03391	6.8
119.08548	2.1
120.08057	0.5
121.06469	0.8
121.10164	2.7
123.04440	6.0
123.08070	0.7
123.11661	2.3
127.03887	1.4
131.08501	0.8
133.10071	1.4
135.04434	14.7
135.11705	1.2
137.05977	1.3
137.13268	0.7
139.03868	2.1
143.08478	0.6
145.02863	11.3
145.10089	1.1
147.11609	0.9
149.06004	0.5
149.09587	0.5
149.13246	1.7
151.03867	0.7
153.01842	100.0
159.04422	1.3
159.08136	0.7
159.11787	1.1
161.05960	1.3
161.09636	0.6
161.13333	0.7
163.03918	66.6
163.14810	1.0
169.06468	1.1
171.02942	3.0
173.09554	0.5
173.13104	0.5
177.05518	1.2
179.03430	5.9
187.03979	2.2
187.14851	0.7
189.16489	0.5
197.05998	0.9
201.05560	0.7
205.05069	1.0
215.10699	0.5
215.18124	0.7
225.05602	0.7
229.08653	0.5
245.06546	1.8
247.06140	0.7
253.05125	0.5
257.08237	0.8
271.06271	2.1
271.17267	0.7
271.24426	0.8
289.07385	86.4
289.18320	2.6
289.25241	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	289.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01860	5.1
55.05510	9.1
67.05499	14.4
69.03431	6.0
69.07069	13.5
69.18283	21.4
70.06596	6.8
71.04988	10.4
72.08169	2.7
75.84554	2.3
79.05500	17.1
81.07059	39.6
83.04987	9.9
83.08605	5.2
84.04480	2.5
84.08144	9.7
85.06548	7.7
86.09703	10.3
91.05492	14.1
93.07046	51.9
95.04973	12.0
95.08609	30.0
97.06548	24.2
98.97598	12.1
99.04466	16.6
99.08187	2.4
101.06065	2.5
105.07027	33.9
107.04977	5.3
107.08602	24.5
108.05348	2.8
109.06519	30.8
109.10147	5.8
111.04475	3.1
111.08094	20.1
113.06060	2.9
116.98605	3.4
119.08586	14.7
121.06510	69.5
121.10146	10.2
123.04426	5.6
123.08075	6.5
123.11727	8.1
125.06007	13.6
127.07542	9.2
129.07016	3.6
131.08591	3.4
133.06520	5.0
133.10124	20.4
135.04416	3.4
135.08067	10.9
135.11639	3.5
137.05981	8.1
137.09662	3.2
139.07559	20.2
143.07008	5.9
143.08612	4.8
145.10181	5.1
146.05885	3.0
147.08044	4.9
147.11717	44.6
149.13255	3.4
151.11227	4.9
153.01799	6.2
157.08618	12.2
157.10013	14.0
158.06001	3.0
158.99538	3.2
159.06578	5.9
161.13272	9.0
163.03914	2.5
163.14839	3.1
165.12758	19.6
169.12262	16.4
171.11688	12.3
173.09669	5.4
175.11188	27.3
181.10196	3.4
189.12729	20.0
193.12260	31.0
198.59171	3.4
199.11156	23.7
207.13811	17.6
211.13232	24.3
217.12244	96.6
225.51579	2.7
229.14409	11.0
235.13289	100.0
253.14346	62.2
271.15582	5.1
289.07104	4.6
289.11737	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	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
55.05512	3.3
56.05034	3.3
56.96571	1.2
57.03425	1.4
58.06605	1.1
58.99862	1.6
60.04528	2.5
60.05651	13.0
61.01154	0.6
61.02915	1.7
61.05350	0.8
61.05967	1.0
68.05022	2.5
68.92483	0.5
68.98277	0.8
69.03435	3.1
69.07057	1.4
70.02945	1.5
70.06596	60.9
70.78659	0.7
70.78962	0.8
70.99859	2.0
71.05013	2.3
71.06284	1.6
71.06927	14.8
72.04507	1.8
72.08160	29.1
73.02916	1.1
73.08488	0.7
74.02444	1.0
74.06077	1.7
74.09727	1.3
75.05598	0.9
77.00864	0.5
81.03428	1.3
81.04537	3.2
82.06574	1.9
82.99812	4.8
83.04994	0.8
83.06100	1.2
84.04510	8.0
84.08149	24.3
85.02907	5.7
85.04028	0.7
85.06530	0.6
85.08480	1.0
86.06072	1.8
86.09709	18.3
86.99334	1.3
87.04472	0.6
87.05583	4.3
87.10033	5.2
87.23679	0.5
88.03996	5.0
89.00904	0.8
89.04229	0.5
91.05489	1.7
94.06582	0.6
96.04491	1.0
96.08134	0.7
97.01390	2.3
97.02921	3.5
97.07648	1.1
98.02431	1.1
98.06060	1.4
98.97581	2.0
99.04455	0.9
99.09243	0.7
100.07616	1.3
101.00887	43.7
101.07140	3.3
102.05552	4.2
103.02448	0.9
104.05318	1.6
104.07103	1.0
105.00356	1.0
107.04955	0.9
109.02859	0.8
109.04023	0.6
109.07649	15.9
110.02415	0.8
110.06035	0.9
110.07183	3.0
111.04436	0.6
112.05094	1.7
112.07612	0.5
112.08737	9.2
112.11284	0.6
113.00877	5.0
113.03483	1.0
113.07127	1.2
113.09093	1.9
114.10301	0.6
115.02444	15.5
115.08689	5.2
116.07088	7.8
116.98610	0.9
117.04010	1.5
117.07402	2.9
118.08645	1.4
119.01928	100.0
119.04921	1.4
120.02065	1.7
121.01674	1.3
121.06509	2.2
124.03934	0.9
124.07568	0.9
125.00896	0.7
126.98798	1.5
127.02450	1.2
127.03925	1.9
127.05043	6.4
127.08686	62.0
129.03990	5.0
129.06641	1.3
129.10242	14.1
130.05048	1.0
130.08693	1.4
130.09752	10.2
130.10706	0.7
131.01912	17.9
131.10179	0.6
132.05081	0.7
132.10231	1.1
133.03476	28.1
133.05122	1.5
133.06085	4.8
135.05052	1.7
136.06238	2.7
136.07559	3.1
137.02968	16.6
137.04945	0.8
137.06000	3.9
138.07819	0.5
138.09145	0.6
139.02536	0.7
140.08177	0.7
141.06638	1.1
141.10231	2.1
142.03534	1.6
142.08659	1.2
143.01910	18.6
143.08168	1.6
143.11865	0.6
144.05441	0.7
144.06577	5.1
144.10190	1.1
144.99828	3.7
145.03459	9.8
145.05092	1.1
147.01442	1.6
147.05032	6.2
147.07640	7.0
147.11343	2.0
149.02977	2.6
151.04546	4.9
152.05688	2.3
152.07066	2.5
154.08662	0.7
155.01895	4.1
155.04651	0.6
156.02736	0.8
156.05011	0.6
156.11339	1.0
157.03482	6.3
157.07274	0.6
157.09717	1.2
157.10916	1.5
158.03685	0.6
158.06613	5.2
158.07846	0.6
158.09254	3.6
159.01476	1.6
159.05038	1.0
159.07739	0.7
159.09607	1.7
159.11307	1.0
161.02968	44.9
161.09213	5.1
162.06139	0.9
163.04536	3.9
163.06224	1.3
166.09705	0.7
167.01942	0.7
168.99834	9.2
169.03491	3.1
169.09749	2.3
171.01389	6.3
171.04977	0.8
171.11296	0.7
172.07130	1.4
172.99323	0.9
173.02977	13.8
173.12895	1.2
175.00909	2.8
175.04581	2.2
175.10727	1.1
175.11945	12.9
176.07703	15.9
176.12303	8.8
177.02435	1.6
177.04195	0.5
178.08568	0.6
179.03981	2.4
180.99852	0.8
181.03467	1.1
183.05038	1.1
184.04582	1.2
184.15288	0.6
185.02922	3.1
186.06125	0.8
186.12383	5.7
187.00909	24.2
187.04529	16.7
187.06284	1.7
189.02443	9.1
190.08261	1.2
191.03999	8.6
192.04729	0.6
194.05197	0.9
194.08681	0.5
196.99329	6.6
197.02928	0.7
199.00891	10.5
199.04568	9.9
199.06328	2.5
200.14001	1.0
201.02444	4.1
201.06119	1.6
201.12418	0.8
203.00470	1.2
203.04070	3.7
205.01949	12.6
205.05556	3.7
205.07309	0.7
207.03520	2.5
209.14835	0.7
210.02425	0.7
211.04636	2.7
211.06403	0.8
213.06053	0.5
214.05592	0.6
214.11899	2.9
215.00381	26.6
216.98831	1.2
217.01965	19.8
217.05388	4.4
217.07458	0.9
218.11526	1.0
218.14917	0.6
219.03564	6.4
221.04988	3.5
223.02972	1.2
223.06355	0.6
226.05284	1.0
226.11948	0.9
226.17375	0.6
227.04051	1.1
228.17197	0.6
229.01967	11.6
229.05525	4.8
229.15530	4.6
229.17398	0.9
230.13747	1.0
230.15816	7.5
231.03517	2.5
233.01463	3.8
234.10173	1.2
234.99849	1.3
235.03088	1.4
235.11975	0.6
238.02080	0.7
241.05618	0.8
245.01500	1.2
245.05196	1.1
245.10570	0.8
247.02998	31.6
251.02585	0.7
255.09793	0.8
257.01663	0.6
259.03070	2.1
259.06677	3.2
263.12845	0.9
265.04077	8.3
270.04590	1.4
271.08765	1.0
271.14963	0.9
272.13266	4.6
272.18027	5.0
277.04123	3.6
288.20309	6.5
288.23077	0.7
289.04123	10.0
289.07971	23.7
289.10831	27.8
289.13956	2.6
289.16580	7.8
289.20685	58.9
293.03598	1.2
307.05185	7.3
307.08829	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	288.2532
Annotation	Prosopinine
Peak:m/z	Relative Intensity
55.05504	0.3
56.05038	8.2
56.05323	0.4
57.06792	0.6
57.07074	10.2
58.06604	0.9
69.07047	0.3
69.99549	0.4
70.06595	1.1
71.08633	4.1
71.23207	0.6
74.06079	22.3
84.50474	0.3
85.10195	1.5
88.07631	57.4
88.22463	0.4
97.29351	0.4
102.05546	4.1
104.32246	0.3
106.08668	2.3
116.07098	1.2
120.06579	5.2
131.04942	0.4
168.00566	1.5
169.00887	0.9
183.02907	2.6
184.03227	2.4
186.01584	0.7
187.02051	0.4
200.15561	0.4
226.25398	0.4
242.24776	21.9
270.24271	3.1
283.11398	0.4
288.09467	4.6
288.25351	100.0
288.28787	7.9
289.25720	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
54.17170	0.8
55.01857	3.0
55.05498	2.6
56.05027	2.2
56.96540	0.9
58.99586	2.0
60.04504	3.2
60.05653	5.3
67.05484	1.1
69.07053	2.2
69.65642	3.9
69.66055	1.9
70.02960	0.8
70.06593	38.5
71.04963	1.0
71.06894	1.3
72.07768	0.9
72.08155	17.0
73.08473	2.3
74.00646	1.1
74.06052	1.8
79.05463	2.8
80.05820	0.9
83.04961	0.8
83.06091	1.5
84.04511	4.7
84.08144	12.1
85.02892	1.4
85.08462	0.8
85.95541	0.9
86.09705	18.8
88.03999	6.4
89.03905	1.3
91.05482	19.6
93.07020	0.9
95.04943	3.3
95.06090	13.8
97.01104	2.6
97.02891	1.0
98.06049	3.9
98.97588	1.5
107.04956	29.1
108.05276	3.3
109.06468	1.2
110.07147	3.4
111.02687	2.0
112.08731	41.2
115.08667	1.9
116.07094	4.1
117.03379	8.9
119.04943	18.8
120.01141	1.4
120.05731	6.1
120.08098	2.1
121.01096	3.3
121.06489	0.9
123.04446	8.4
124.04762	1.4
124.07536	1.1
125.00631	3.8
125.04202	2.6
129.10258	6.3
130.04987	1.1
130.06532	1.3
130.08635	1.6
130.09686	0.8
134.03609	1.0
135.02786	7.4
135.04411	46.6
136.05159	1.2
136.06126	1.2
137.05869	4.2
138.01366	1.0
138.06601	2.2
139.02124	6.1
140.08107	0.8
140.91156	0.8
145.01784	1.1
145.02850	18.7
146.06003	1.5
147.02577	2.7
147.04413	15.4
148.05183	12.2
149.00563	26.6
149.05933	2.9
149.59348	0.9
151.02127	5.6
151.03880	3.1
153.03690	16.1
153.05460	1.9
156.11302	1.2
157.07594	1.0
157.10826	0.9
158.09186	2.9
159.11220	1.1
163.02101	5.2
163.03821	1.0
164.04224	1.8
164.07111	1.2
165.05469	2.2
166.00832	3.6
166.06258	30.3
167.01633	29.8
169.03227	1.8
171.02109	1.4
172.02376	2.5
175.02075	1.4
175.11932	8.2
177.05463	27.5
179.01682	1.1
181.03180	100.0
192.02365	3.0
192.06435	1.0
193.03162	1.7
199.04240	84.1
207.04721	10.2
207.12090	2.1
224.14687	1.7
225.05734	2.0
228.17146	1.0
229.15482	1.7
235.11612	1.1
242.08229	1.1
252.14314	1.8
259.74167	0.8
266.05734	0.9
270.07864	0.8
270.11652	0.9
271.06354	66.6
271.09116	3.8
271.17645	2.7
288.05713	1.2
288.08896	25.1
288.13150	8.4
288.20328	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	288.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.4
53.03956	0.4
55.05516	0.9
55.79437	0.4
56.05035	1.0
56.96556	0.5
58.06597	0.4
60.04519	0.7
60.05643	1.1
60.32051	0.4
63.88832	0.4
68.05019	1.0
69.03422	0.5
69.07069	11.3
69.72064	1.0
69.72474	1.7
70.02943	0.5
70.06593	9.9
72.08155	12.2
74.06089	0.8
75.05595	0.6
79.05482	0.6
81.03421	0.6
83.06088	1.2
84.04494	1.6
84.08134	4.6
85.02923	0.6
86.09707	100.0
87.05584	0.5
87.10043	0.7
88.03967	0.4
89.03914	5.1
91.05479	5.8
95.06091	22.3
97.02858	0.7
98.97569	0.5
102.05527	0.4
103.05486	0.6
104.07122	0.9
105.03373	0.9
106.04219	0.5
106.06537	0.8
107.04951	1.3
110.07161	1.6
112.08732	50.8
115.05447	0.4
115.08698	0.7
116.07107	1.4
117.03381	21.1
118.07471	0.5
118.08659	5.7
119.04918	2.5
120.08092	1.2
123.04439	0.7
124.07661	0.8
129.10249	7.8
130.06531	1.1
130.08696	0.6
130.62701	0.4
134.03598	1.2
134.06053	1.1
135.04445	2.5
136.06212	0.4
137.05969	9.0
138.06639	5.4
140.80103	0.4
143.07335	0.4
143.08347	0.4
143.11795	6.5
144.08116	0.6
145.02847	65.9
147.04543	0.4
149.04811	0.6
149.05977	8.0
151.06354	0.8
152.07088	0.7
156.07762	0.6
157.09734	0.8
157.13362	1.0
162.03049	0.4
163.03865	2.0
163.12943	0.4
164.07071	8.8
164.08418	0.8
167.07193	0.5
171.11293	11.0
175.10727	8.2
175.11922	1.1
177.05472	99.4
178.07774	0.5
179.08563	1.8
185.12881	1.1
186.05540	0.6
191.07198	0.7
206.09654	5.2
207.08086	1.6
224.10693	1.4
225.09175	1.4
229.15608	0.7
234.09177	3.2
235.09821	0.9
236.07133	0.8
237.00703	0.5
237.07864	1.0
241.08679	0.6
242.11751	2.5
251.09322	0.9
252.10197	26.6
270.11197	25.7
271.17859	0.5
287.64948	0.4
288.05698	1.1
288.08527	8.8
288.13446	45.0
288.20261	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	287.2218
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
55.01867	1.9
55.05515	15.2
56.96551	2.6
57.03430	1.2
65.03925	0.8
67.05507	23.2
68.18135	0.6
68.99796	1.1
69.03422	1.5
69.07070	7.6
69.85067	3.1
70.06574	0.7
71.04973	1.2
71.75934	0.5
72.08145	0.8
77.03880	0.6
79.05492	9.0
81.07059	27.3
82.06397	0.5
83.04967	2.7
83.08623	6.1
84.08142	0.6
84.31861	0.6
85.06546	1.1
86.09724	0.9
88.27259	0.5
91.05488	4.3
93.07047	9.7
95.04964	0.9
95.08611	25.3
96.02085	2.2
97.06538	1.8
97.10168	7.4
98.97589	1.3
98.98473	1.0
99.08074	1.2
103.05463	1.2
103.23746	0.6
105.07034	3.8
107.04956	0.7
107.08601	9.1
109.06507	0.7
109.10160	21.1
110.31799	0.6
111.04444	8.2
111.08093	1.2
117.06964	1.3
118.78255	0.6
119.08576	3.6
121.10143	7.4
123.08075	1.5
123.11726	9.4
125.09632	5.4
126.03115	0.7
131.08559	2.4
133.10121	3.9
135.08034	1.2
135.11694	4.8
136.06148	1.3
137.09599	1.9
137.13251	1.9
139.03903	0.7
139.11130	0.8
145.10085	3.5
147.04395	1.4
147.11705	2.1
149.09636	0.8
149.13266	2.4
151.11183	1.4
152.01050	6.1
153.00343	0.8
155.01950	0.7
157.10115	1.2
159.11743	3.7
161.13309	1.5
163.11205	0.9
163.14801	0.7
167.03410	100.0
167.10602	0.8
171.01427	3.1
171.11699	1.0
172.94334	0.8
173.11789	0.8
173.13226	1.8
175.14813	1.1
177.06767	1.3
177.12697	1.1
181.12238	1.2
185.13199	0.8
187.14864	1.2
189.16376	0.9
190.95436	1.2
195.13782	1.3
209.05933	1.5
215.17940	5.7
222.74722	0.6
226.06075	0.7
227.17981	0.6
232.96512	0.9
233.18994	10.2
241.08601	0.7
251.20074	40.6
261.13412	1.4
269.08112	1.9
269.20999	8.0
270.11267	1.8
287.05426	2.0
287.09085	5.0
287.20074	2.5
287.23682	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94448	0.2
56.96557	0.3
69.03414	0.8
70.06598	2.2
70.80683	0.6
72.08158	0.8
79.05466	0.9
81.03400	0.2
84.08145	1.6
85.02892	0.4
86.09709	5.4
87.10048	0.6
88.04002	2.5
94.04046	0.3
94.06489	0.2
97.02879	0.6
101.00900	0.4
105.70283	0.2
106.06565	1.8
107.04962	9.0
107.06901	0.3
107.73211	0.2
109.02886	1.0
110.07167	1.1
112.08719	0.2
116.07083	0.5
119.01923	0.5
119.03542	0.6
124.07565	0.3
125.07922	0.2
129.10246	0.7
130.05011	0.2
131.01965	0.2
134.06024	2.1
135.04416	6.9
136.06190	100.0
137.04633	0.4
137.05887	0.6
138.06349	0.4
144.06850	0.5
146.08434	0.3
150.05515	0.2
152.05722	1.8
152.07057	15.1
155.95618	0.2
162.08011	1.0
164.09560	0.4
165.07875	0.5
166.03241	1.0
172.08034	0.3
174.04416	0.6
174.07924	2.0
185.02820	0.3
186.09818	0.3
192.09007	0.3
197.06627	0.6
197.56558	0.3
203.03899	0.2
214.09286	0.3
222.01897	0.2
227.92836	0.2
232.10361	1.0
246.04709	0.4
259.16977	0.3
261.08078	0.3
264.03091	0.9
277.18085	0.5
279.09305	0.7
287.12622	11.9
287.16486	1.7
288.20346	0.5
305.13901	0.5
305.17447	5.3
309.54077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
56.05034	3.3
56.96563	2.4
67.05517	3.0
69.07058	4.1
69.39923	1.3
69.40250	8.3
70.06588	3.2
71.04997	7.2
71.08638	24.2
72.08157	2.7
79.05493	2.6
81.07063	5.8
83.06103	6.9
83.08647	1.2
84.04509	88.1
84.08146	3.2
85.02891	3.9
86.09706	3.2
88.11273	100.0
91.05492	2.8
93.07048	3.5
95.04939	1.3
95.08609	2.4
98.06059	4.3
98.97579	2.9
102.05547	3.9
105.07026	4.4
107.08601	3.4
109.10150	2.1
116.98611	1.3
117.07031	1.3
119.08614	3.2
121.10174	2.6
126.09195	1.5
129.06616	1.6
130.05009	64.7
131.08594	1.7
133.10161	2.4
136.06206	5.2
145.10135	1.7
146.05952	1.4
147.11810	1.4
149.09747	1.0
153.06972	1.8
153.13884	15.5
154.08752	2.2
154.12279	51.3
158.99709	1.6
159.11685	1.8
168.00520	1.9
171.14929	57.4
181.06487	1.7
184.17006	1.9
199.14433	42.7
200.09261	4.5
200.12817	56.2
201.16383	1.7
217.15479	64.4
227.07033	2.8
241.08698	1.6
241.19113	20.4
269.08276	1.6
269.18582	18.4
287.05334	10.4
287.09091	4.1
287.19708	38.1
287.23581	3.6
288.08759	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0913
Annotation	Linderone
Peak:m/z	Relative Intensity
50.08043	0.3
50.39222	0.3
53.03954	0.3
55.01880	0.4
55.05507	0.6
56.55014	0.3
56.96559	0.5
57.03440	0.3
57.07066	0.4
59.99749	0.4
66.01086	0.3
67.05517	1.8
68.99796	1.1
69.03433	0.7
69.07069	1.2
69.42061	0.6
69.42469	2.0
71.04993	0.4
72.08145	0.3
78.92466	0.3
79.05501	2.0
80.73442	0.3
81.03397	0.3
81.07067	3.6
83.08601	0.5
84.02151	0.5
85.95591	0.2
86.11777	0.3
91.05492	2.8
93.07051	2.2
95.01356	0.3
95.04945	0.4
95.08620	3.1
96.61202	0.3
97.00480	0.4
98.20818	0.6
98.97585	2.4
98.98381	0.5
99.00828	2.6
103.05479	7.7
105.03364	0.4
105.06499	0.3
105.07047	2.9
107.04954	1.0
107.08587	2.2
109.10195	2.0
111.04390	0.3
112.01572	2.9
112.51520	0.3
116.98633	0.6
117.07004	0.5
117.96766	0.3
119.08595	3.3
121.10131	1.4
123.00840	0.8
123.11710	0.3
127.00288	2.8
129.07011	0.4
131.04944	14.4
131.08566	1.3
133.10179	1.5
135.11690	0.5
136.06184	0.8
137.02351	0.7
140.01059	1.3
143.08495	0.7
145.10135	1.8
147.07985	0.4
147.11685	1.3
149.13307	0.4
153.01842	0.6
153.07010	1.0
154.99800	0.6
155.03479	0.5
157.10138	1.4
159.11697	1.5
161.13292	0.7
167.03419	1.9
168.00555	36.0
171.11711	1.1
173.05962	0.5
173.13350	0.6
177.06747	0.7
181.05098	0.6
181.06537	0.8
183.02905	100.0
185.13246	0.7
186.01614	22.9
187.14761	0.4
189.00697	0.4
192.38266	0.3
195.02798	0.4
199.14819	0.6
201.00829	0.4
201.03978	3.7
201.16405	1.4
209.06020	3.0
213.09096	1.0
213.16399	0.7
219.01665	0.5
226.06204	0.4
227.07167	0.4
227.17982	5.0
229.05038	0.4
241.08640	4.7
244.03613	0.5
245.08133	0.8
249.02901	0.8
250.03256	0.5
254.05666	0.8
255.06387	0.4
259.05936	0.6
267.03940	0.5
269.08221	0.6
269.19003	0.5
269.22607	1.0
271.06143	0.5
272.06796	1.1
287.09149	80.7
287.20074	3.2
287.23734	2.6
288.09525	0.5
291.03925	0.9
292.04227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
51.28096	0.4
52.64217	0.3
55.01848	0.5
55.05495	1.6
56.96558	0.9
57.07072	0.6
58.52894	0.4
65.03934	1.1
66.68318	0.4
67.05501	2.1
68.99796	1.2
69.07066	2.4
70.06587	0.6
71.04990	1.6
71.51584	0.6
72.08153	0.9
73.06545	0.4
77.88772	0.3
79.05482	2.4
81.03431	0.5
81.07059	5.4
83.04968	0.8
83.08621	0.9
84.08153	0.7
85.06545	0.7
86.09676	0.4
87.43851	0.5
89.03876	0.5
91.05482	15.7
93.07042	4.3
95.04967	1.5
95.08607	5.3
96.02103	1.6
96.88194	0.4
97.06509	0.5
98.97585	1.4
99.00847	0.4
103.05473	1.0
105.03377	0.8
105.07023	5.8
107.04962	3.8
107.08596	4.3
109.10157	3.1
111.04438	6.5
116.98622	0.7
117.03368	0.5
117.07008	1.0
118.49031	0.4
119.04945	36.8
119.08600	5.3
120.05765	0.5
121.02853	0.5
121.06506	0.6
121.10149	2.9
123.04431	1.3
123.11723	1.4
127.11191	1.0
128.06268	0.5
129.07034	1.1
131.04944	1.2
131.08569	2.7
133.02864	0.7
133.10135	2.6
135.04427	1.0
135.11671	1.6
136.06189	2.0
137.02370	2.6
137.05971	0.4
137.09570	0.5
137.13196	0.5
139.03902	1.6
140.53368	0.4
142.07768	0.6
143.08577	1.2
145.02837	0.5
145.10132	4.6
147.04411	83.0
147.11716	2.8
149.09618	0.5
149.13242	1.0
152.01038	5.7
152.07056	0.5
153.01849	2.3
153.07047	0.4
157.06584	0.5
157.10144	1.8
159.11702	3.5
161.13249	1.5
165.09174	0.4
167.03401	46.0
168.00525	3.4
171.07999	0.5
171.11693	1.3
173.13284	1.8
175.14827	1.0
177.05420	1.2
177.06786	0.6
181.06477	1.5
183.02888	9.8
185.04404	1.4
185.05981	0.8
185.13318	1.0
186.01553	1.2
187.14825	0.6
189.16391	0.7
193.04959	0.6
198.06409	0.5
199.07574	0.5
199.14864	1.6
201.16394	8.2
209.05972	0.8
213.05507	1.4
213.16377	1.4
215.17949	0.6
216.04242	0.5
227.06982	2.7
227.11790	0.4
227.17989	1.3
241.04921	0.5
241.19461	0.6
244.03629	4.0
245.07979	1.0
255.06465	2.4
259.06064	1.8
269.08368	0.7
269.12985	1.2
269.19254	0.7
269.22662	3.7
272.03271	1.0
287.05576	24.5
287.09155	100.0
287.12030	3.8
287.20041	2.1
287.23700	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	287.0914
Annotation	5,7-Dihydroxy-6-methoxyflavanone
Peak:m/z	Relative Intensity
55.05515	0.9
56.58653	0.8
56.96563	1.3
57.07078	0.7
67.05489	0.9
68.99783	1.2
69.07057	1.2
70.06610	0.9
72.08152	1.3
79.05497	1.5
80.15852	0.6
81.07050	2.2
84.02142	0.7
86.09686	0.7
91.05477	2.4
93.07039	1.3
95.08614	1.2
98.21620	1.4
98.98447	0.7
99.00832	3.8
103.05483	7.7
105.03343	0.8
105.07044	1.5
107.04945	3.0
107.08619	0.8
109.10164	1.2
112.01595	2.6
112.03568	0.7
118.60147	0.7
119.04913	1.2
119.08587	1.1
121.10161	1.1
127.00291	3.2
131.04942	12.8
131.08557	0.9
132.07164	0.7
135.11719	0.7
136.06216	0.9
140.01018	1.5
145.10089	0.8
147.04399	2.4
153.02019	0.7
154.99718	0.7
157.10117	1.9
160.63190	0.7
167.03432	6.4
168.00557	42.8
171.11702	1.6
173.05928	0.9
183.02902	100.0
186.01607	21.2
186.03314	0.8
209.06053	1.5
227.17917	3.9
229.12939	0.7
241.00150	0.7
241.08702	0.7
245.08246	0.9
259.01242	1.1
272.06699	0.8
275.13202	0.9
284.13718	0.9
287.05722	5.2
287.09137	94.1
287.20010	3.9
287.23553	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
53.03939	0.3
65.03920	0.3
67.05489	0.3
68.99793	1.2
70.64060	0.6
70.64413	0.5
79.01854	0.3
79.05493	0.6
91.04900	0.4
91.05482	8.5
91.60664	0.2
93.03419	0.3
95.08585	0.3
96.02103	1.6
103.05468	8.6
104.06316	0.2
105.03390	1.9
105.06977	0.2
107.01292	0.4
107.04928	0.6
111.04448	7.0
111.05215	0.4
119.04945	0.5
119.08605	0.4
124.01543	0.4
126.03115	0.6
131.04921	1.4
139.03873	1.2
141.06990	0.4
145.10147	0.3
149.02281	0.3
152.01050	5.7
152.06189	3.9
153.06992	12.7
157.10106	0.3
165.06996	1.0
167.03400	100.0
168.03696	0.7
169.06569	0.3
170.07272	0.8
180.05746	0.9
181.06480	8.6
182.07239	0.3
183.02864	0.8
197.06030	0.3
198.06813	1.4
209.05975	76.6
210.06535	1.0
213.09102	19.7
225.05437	0.8
226.06262	4.2
233.36884	0.2
237.05217	0.3
237.75029	0.3
240.07831	0.6
241.08591	45.9
242.08794	0.3
254.05722	4.2
269.08087	17.3
287.09134	23.5
287.23404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
55.01868	2.7
55.05513	69.6
56.96566	4.9
57.03436	3.9
57.07075	20.2
59.54280	2.1
61.83171	2.0
62.23907	2.2
63.00037	2.5
67.04718	2.5
67.05506	64.2
67.26090	2.1
69.07072	100.0
69.58011	5.5
69.58418	8.3
70.06597	2.6
71.04988	9.5
71.08636	5.1
79.05497	26.0
81.07062	92.9
83.04980	4.5
83.08148	4.5
83.08620	57.0
85.06541	9.2
85.10165	2.8
86.32661	2.0
91.05490	24.6
93.07047	43.8
95.04990	3.2
95.08611	89.1
97.06547	18.1
97.10173	45.6
99.08097	7.3
105.07049	17.1
107.08585	30.0
108.43618	2.3
109.06559	3.0
109.10165	51.0
111.08071	8.4
111.11708	19.6
113.09634	2.5
116.98635	3.5
119.08571	27.9
121.10149	44.9
123.08071	8.3
123.11720	19.7
125.09599	9.0
125.13276	6.3
129.09045	3.1
131.08598	3.6
133.06558	2.5
133.10129	24.7
135.11694	40.7
135.12703	2.3
137.09625	9.3
137.13243	10.3
139.11172	9.8
145.10147	3.3
147.11697	29.2
149.13239	6.2
151.11159	9.6
151.14801	8.4
153.12720	9.5
159.11707	3.6
161.13264	18.5
165.01843	3.5
165.12738	11.2
175.14862	10.0
179.14325	7.7
191.17972	2.9
193.19601	3.7
205.99115	3.2
217.19527	48.5
225.16385	3.2
228.92929	2.3
235.20584	39.8
242.05798	6.2
252.00612	2.8
253.08678	2.7
253.21631	12.3
270.05283	8.3
285.04431	4.7
285.07596	41.5
285.10733	3.7
285.18903	2.7
285.21713	3.6
285.24496	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	286.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42858	0.2
56.96561	0.5
57.07079	9.2
58.06607	1.5
60.93582	0.3
62.05790	0.4
62.06093	4.8
70.08501	1.1
71.08633	4.9
72.08160	0.7
72.33984	0.3
85.10178	1.2
87.04477	2.4
89.01031	0.3
91.54274	0.2
92.16051	0.2
98.97591	0.7
105.75980	0.2
128.98604	0.6
141.46408	0.2
156.17499	2.2
167.76459	0.2
170.99695	0.3
174.18549	6.3
189.00777	0.6
197.03018	0.2
212.23720	3.2
221.61253	0.3
226.25356	1.5
230.24809	17.2
233.17567	0.3
268.26382	1.0
268.30008	0.7
286.07690	0.4
286.31046	100.0
287.31302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
53.03603	0.2
53.12402	0.2
55.05526	0.3
57.07079	5.5
58.06385	0.2
58.06616	0.9
62.06089	0.4
64.46938	0.2
69.26141	1.7
70.06611	1.1
70.10374	0.2
71.08636	2.6
72.08160	18.7
81.07067	0.2
85.10172	0.9
87.04462	0.2
88.07627	1.4
90.09200	13.1
115.30110	0.2
119.07018	0.2
123.51473	0.2
139.96677	0.2
141.73216	0.2
174.18571	0.5
183.87094	0.2
230.24789	2.0
242.28450	0.9
286.31052	100.0
287.31381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2216
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
52.38927	7.7
55.05509	24.1
59.79022	7.6
66.42677	8.0
67.05512	24.7
69.07085	51.2
69.94467	41.0
71.04975	9.3
79.05505	16.8
81.07070	43.6
81.19692	10.1
83.08629	12.1
91.05482	25.6
93.07058	32.9
95.04958	13.3
95.08617	35.5
97.06544	25.0
100.90643	8.1
105.07053	58.1
107.08612	37.5
109.06532	20.7
109.10181	38.5
118.18374	8.1
119.08581	87.5
121.10165	43.9
123.11715	20.3
128.06194	8.0
131.08554	14.7
133.10146	69.6
133.56966	8.7
135.08069	18.2
135.11719	20.3
137.09669	10.0
145.10170	33.5
146.07295	11.9
147.11703	21.7
157.10141	12.9
159.11768	9.4
161.09645	93.8
161.13274	14.7
173.13216	12.1
175.14864	54.2
185.13339	9.6
189.12833	9.0
191.56334	9.7
193.15868	9.6
197.13304	20.3
205.00665	7.7
220.86015	7.8
242.05736	32.5
270.05295	12.1
285.07651	100.0
285.10736	13.7
285.18903	8.9
285.22092	30.0
308.01840	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	285.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
55.05509	3.2
56.05021	1.1
56.96555	1.4
57.03429	0.7
57.07043	0.5
59.30589	0.5
60.04528	3.4
60.05656	3.8
63.00059	0.7
66.74403	0.4
67.05492	1.3
68.02639	0.7
69.03421	1.4
69.07075	20.5
69.13443	1.8
69.13866	3.6
69.47740	0.4
70.06598	48.7
71.04993	4.4
71.06930	0.7
72.04510	0.7
72.08164	9.8
72.54211	0.4
73.02906	1.2
74.02448	2.6
74.06069	0.8
75.04477	1.0
76.02204	0.6
77.90469	0.5
79.05495	0.9
81.03426	1.2
81.07073	1.3
83.04973	1.1
83.06091	0.7
83.08569	0.5
84.04512	3.0
84.07699	0.7
84.08151	6.7
84.96028	0.5
85.02904	1.3
86.09711	16.4
87.04440	0.6
87.05595	0.5
87.10011	0.5
88.03971	1.4
88.07623	1.5
89.03919	1.1
91.05491	2.5
93.04518	0.6
93.07034	1.1
94.06583	0.8
95.04990	0.6
95.06081	1.5
95.08619	1.1
97.02893	1.2
97.06520	0.7
97.07667	1.0
98.06065	2.7
98.20741	1.1
98.97572	1.8
99.04456	0.7
102.05560	1.2
103.05493	1.0
105.07040	1.2
107.04913	1.3
110.06067	1.3
110.07174	8.5
111.04427	3.6
111.07461	0.8
111.09206	1.2
112.04794	2.6
112.07619	5.9
112.08736	6.3
113.07131	4.8
113.10744	1.5
114.09171	4.4
114.10271	1.8
115.08707	18.1
116.07102	19.8
116.98640	0.6
117.03380	0.7
117.53492	0.6
119.04935	1.2
120.04512	0.5
120.08139	3.2
120.08825	0.5
121.02852	0.7
121.06516	1.5
122.07210	0.5
123.04473	1.3
129.06876	0.6
129.10231	3.7
130.06534	1.8
130.08673	1.1
130.09776	1.9
131.04918	0.6
133.06448	0.7
134.06023	0.8
135.04411	1.4
136.06178	0.9
136.07568	1.0
137.05977	2.0
138.05533	1.0
139.05875	0.9
139.08662	1.4
140.07112	1.0
140.08174	0.6
143.11760	2.3
145.02840	1.1
146.06023	1.5
147.04407	1.0
147.06476	0.9
149.05995	1.3
150.05464	0.6
151.07507	0.7
152.07066	0.5
153.05455	1.1
154.09660	0.5
156.07686	0.8
156.11276	0.8
157.08737	0.4
157.09747	10.5
157.10881	0.8
158.08133	27.8
158.09291	6.8
161.04770	0.6
161.05946	2.4
162.05507	1.4
163.03877	1.2
163.05865	1.5
164.07141	0.7
165.07008	2.3
166.06154	0.8
167.07076	1.4
168.07834	0.8
170.06075	0.7
175.10587	3.1
175.12064	4.4
177.05530	1.1
178.05782	0.6
180.06297	0.8
181.06668	0.5
182.07275	0.9
182.09459	0.5
183.06488	0.5
187.69347	0.5
188.07051	1.0
193.06538	1.4
194.07344	0.5
194.09705	0.5
196.07217	0.8
197.05852	0.6
198.16066	0.7
199.11964	0.8
200.10315	9.8
201.12312	0.6
204.06467	0.6
209.08131	0.8
210.06798	0.7
211.09657	0.8
212.73996	0.5
213.07358	0.6
215.08688	1.0
217.12962	16.0
221.05974	1.9
225.09166	4.0
228.10274	1.0
237.03035	0.6
239.09149	0.7
239.11786	0.8
243.18163	2.7
253.08574	5.2
255.07437	1.9
256.09686	1.6
257.12784	5.0
268.09692	1.5
271.08502	0.8
285.07797	1.4
285.11148	10.7
285.19229	100.0
286.07886	0.5
286.10654	3.1
286.19592	0.6
303.13300	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27927	1.3
55.01860	4.6
55.05499	1.8
57.03428	5.0
65.64808	1.0
69.07059	1.4
69.38710	9.4
70.06249	1.4
70.06583	8.0
71.04987	1.2
72.08146	2.9
74.54480	1.0
75.04475	2.7
79.05498	6.3
81.03393	1.5
81.07047	2.0
83.08637	1.7
84.04494	5.3
84.08145	4.6
85.02867	1.3
86.09718	11.2
91.05491	20.4
93.03384	1.7
93.07050	4.2
95.04980	3.4
98.20787	2.4
99.04504	1.6
100.11275	1.9
100.66626	1.3
103.05486	6.3
105.03397	3.2
105.07036	19.4
106.04180	3.1
107.04973	12.4
108.05754	1.7
109.06501	5.1
110.07187	3.4
111.04435	2.8
114.05520	2.3
115.05460	4.1
116.07069	1.4
118.04162	3.6
119.04941	24.7
121.06519	10.7
122.07279	2.3
123.04444	1.5
123.08050	3.3
125.02396	1.5
125.05997	3.2
129.10220	2.7
130.05028	3.1
130.06459	1.3
131.04970	1.7
133.06496	19.4
134.03633	4.9
135.04410	10.1
136.05196	6.9
137.05978	4.8
140.04678	11.5
143.06053	1.6
144.08008	1.3
147.04391	7.8
149.05977	18.6
149.56279	1.3
150.06656	2.4
151.07567	14.8
152.04677	2.1
153.05469	100.0
154.06242	1.6
161.06000	37.8
162.05458	1.3
163.03970	1.6
165.05571	3.0
165.07021	4.0
167.07057	18.0
168.07825	89.3
177.05481	3.8
178.06313	1.3
179.07037	11.1
181.06419	1.5
181.08598	2.6
182.07343	1.6
182.09407	1.5
187.89655	1.2
193.06790	2.0
193.08621	40.4
196.07315	74.1
206.39160	1.2
207.09886	2.0
209.08075	9.1
210.06718	2.0
211.09662	79.4
221.05980	3.0
225.09154	3.4
237.11143	1.4
253.08565	6.6
253.10883	2.0
268.09573	2.7
285.03925	1.8
285.08005	3.0
285.11301	8.9
285.13388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.1
55.05489	1.2
57.03442	5.9
57.74131	1.0
62.84024	1.0
65.03933	1.3
67.05519	2.4
69.03391	1.2
69.07060	1.4
69.60809	7.0
70.06291	1.2
70.06596	10.5
72.08141	3.2
75.04469	2.7
79.05491	5.6
81.03451	1.6
81.07053	1.2
82.57335	1.0
83.04987	1.2
84.04498	4.8
84.08138	3.3
85.40937	1.1
86.09709	10.1
91.05486	17.3
93.07057	3.1
95.04957	2.9
100.11258	1.4
103.05469	3.5
104.24348	1.1
105.03404	4.0
105.07036	19.5
106.04162	2.4
107.04958	11.9
108.05766	1.7
108.47451	1.4
109.06515	5.1
110.07172	3.7
111.04420	2.9
114.05532	2.5
115.05438	4.5
117.07034	1.2
118.04173	3.3
119.04962	21.2
120.08128	1.3
121.02890	1.5
121.06499	9.9
122.07287	1.4
123.04455	2.9
123.08077	3.3
125.06014	2.0
129.10228	2.4
130.05003	2.1
130.06534	1.9
131.04947	2.6
133.06487	14.2
134.03656	3.6
135.04422	9.9
136.05232	6.5
137.05965	5.0
140.04697	10.4
146.05991	1.2
147.04436	6.0
149.05988	19.7
150.06769	3.3
151.07552	13.4
152.10690	1.6
153.05473	100.0
161.05994	37.7
165.05505	2.4
165.06946	2.3
167.07068	17.3
168.07826	86.7
177.05486	4.7
179.07025	7.8
181.05028	1.2
181.06422	1.6
181.08623	4.4
182.07220	1.4
193.06741	1.5
193.08618	41.1
196.07324	71.8
198.11293	1.5
209.08047	8.6
210.06879	2.2
210.08784	2.1
211.09659	81.2
221.06000	2.9
225.09073	3.5
253.08427	6.1
253.10837	1.7
268.09631	3.7
285.07938	4.5
285.11316	9.5
285.18069	2.6
307.93140	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Wogonin
Peak:m/z	Relative Intensity
55.05499	0.3
56.96573	0.4
57.07050	0.3
61.91829	0.2
62.15115	0.2
67.05491	0.6
68.99790	0.9
69.07060	0.4
69.35486	0.2
70.61016	0.2
70.80684	0.6
78.96411	0.2
79.05492	0.3
81.03400	0.3
81.07043	0.9
83.08552	0.3
91.05482	0.4
93.07043	0.5
95.08596	0.6
98.97573	0.3
99.00805	0.5
105.03403	1.7
105.07050	0.4
112.01581	0.5
115.94975	0.2
116.06232	0.3
119.08562	0.2
127.00288	0.7
131.04968	0.3
133.10115	0.3
139.00237	0.3
140.01022	0.6
149.83086	0.3
154.99702	0.3
155.08463	0.4
157.10141	0.3
158.53976	0.3
165.01828	0.9
168.00555	11.0
168.05769	0.4
171.11659	0.3
183.11662	0.5
186.01604	4.8
186.06659	0.3
212.93674	0.2
220.46732	0.3
224.04691	0.4
225.16321	1.2
226.00829	0.2
239.03305	0.5
239.07047	0.7
240.23149	0.6
241.04991	0.6
242.05786	3.1
253.08633	0.6
267.06689	0.5
267.19611	0.3
269.04507	1.5
270.05243	100.0
271.05609	0.6
277.21899	0.3
284.62680	0.3
285.07587	95.6
285.22043	1.0
285.29361	0.5
286.07941	0.8
293.34869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0758
Annotation	Damnacanthol
Peak:m/z	Relative Intensity
50.95526	0.2
55.01863	1.2
55.05494	0.2
56.96563	0.4
59.04978	0.3
63.00055	0.3
64.07335	0.2
68.99490	0.2
68.99806	0.5
69.07063	0.2
69.84348	1.2
71.15671	0.2
72.08137	0.3
79.05486	0.2
81.03413	0.4
81.07044	0.5
85.62738	0.2
86.92627	0.2
91.05505	0.3
93.07040	0.2
95.04974	0.2
95.08608	0.4
105.03381	2.3
105.07042	0.5
109.10171	0.3
111.99929	0.6
121.00472	0.5
121.50610	0.4
123.00768	1.3
133.38060	0.3
134.01253	0.3
137.02330	0.9
141.01834	3.0
143.01785	0.2
157.10162	0.3
161.05992	0.3
163.00510	0.3
165.01840	18.4
167.99716	0.4
168.49893	0.4
172.51161	0.4
177.00198	0.5
177.50406	0.5
183.02888	5.5
190.51126	0.4
193.06540	0.3
199.51656	0.4
208.52182	0.4
210.06822	0.4
217.02559	0.2
217.52753	0.4
221.05922	0.5
221.53064	0.4
222.96893	0.2
225.09149	0.7
229.08556	0.3
230.53468	1.1
239.07018	0.5
242.05910	0.7
252.54881	0.4
253.08571	1.6
264.05472	0.2
267.06519	100.0
268.06973	0.8
269.04410	1.7
270.05222	2.3
285.07574	5.6
285.11188	1.7
285.18607	0.5
285.22086	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Acacetin
Peak:m/z	Relative Intensity
53.03947	0.3
53.07407	0.1
57.56946	0.1
58.57996	0.1
65.03912	0.2
67.05518	0.4
68.85932	0.2
68.99808	0.4
70.02669	0.6
77.03948	0.2
79.05486	0.3
79.40662	0.2
81.03448	0.4
81.07092	0.3
91.05490	1.1
93.07072	0.3
94.28561	0.1
95.04989	0.8
98.20835	0.2
98.97620	0.4
99.35129	0.2
103.05505	0.3
105.03400	7.7
105.04498	0.3
107.01349	0.3
107.04977	1.2
107.08597	0.2
109.02882	1.4
119.04978	0.4
119.08652	0.3
123.04415	0.8
124.01620	0.7
133.02878	1.0
135.04451	0.2
136.01678	0.2
137.02393	1.1
137.06013	0.2
139.03914	0.8
141.07028	0.5
144.05721	0.3
147.04433	0.2
151.03925	1.9
151.04996	0.2
153.07042	0.6
157.06610	0.2
158.07330	0.3
163.03973	0.5
165.01860	1.6
165.06911	0.3
167.03450	0.6
168.05782	0.7
169.06561	0.5
172.05244	0.2
179.03395	0.3
181.06474	0.9
185.05991	0.5
186.06746	0.3
191.03444	0.6
196.05286	0.4
197.05954	1.2
199.07568	0.5
209.05984	0.9
211.07664	0.5
213.05511	0.8
214.06258	0.8
225.05537	1.5
225.09131	0.3
227.07140	0.6
237.05292	0.2
239.07059	0.8
241.04955	0.9
242.05756	12.6
253.04997	1.1
253.08612	0.7
254.05797	0.5
255.06664	0.4
257.08099	0.6
267.06461	1.1
269.04510	0.4
270.05246	26.6
271.05737	0.2
285.07581	100.0
286.07983	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02388	2.0
53.03939	6.6
55.01860	8.8
55.05512	3.7
56.57391	2.0
56.96547	3.4
57.03431	6.1
57.07060	3.1
61.02931	5.0
67.05518	2.4
68.99763	2.3
69.03433	33.4
69.07050	2.0
69.84717	11.9
70.06577	3.0
71.04989	5.3
73.02914	15.5
74.63647	2.0
79.05482	3.2
81.02988	3.2
81.03422	31.2
81.07063	4.5
83.04977	2.1
83.08620	2.2
84.08137	2.8
85.02908	95.3
86.09717	3.6
87.00829	45.4
87.04470	3.1
91.03959	4.0
91.05459	3.1
93.07045	2.4
95.08602	6.2
97.02890	59.7
98.97569	6.8
99.04454	18.4
105.01869	75.8
105.06992	3.0
108.04483	11.3
109.02892	28.2
109.10136	3.1
110.10538	2.0
115.03947	3.5
116.98605	2.6
117.01878	6.0
119.08597	3.0
124.90485	2.2
126.05502	5.1
127.03922	100.0
129.01825	2.8
145.04964	85.0
147.02893	4.5
147.11795	2.7
151.46271	2.4
154.88190	2.0
159.02895	30.5
160.12131	2.8
177.03998	2.4
177.12808	2.7
178.13118	6.0
209.05957	2.6
213.04132	2.4
215.89670	2.1
230.06633	3.3
231.05005	39.7
238.06088	2.8
238.15221	3.3
248.07661	6.2
249.06090	12.2
253.08644	3.2
266.08728	3.0
269.08298	2.8
284.06473	4.2
284.09848	15.6
284.29501	13.5
285.07730	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.099
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.11313	0.2
55.01855	0.2
55.02990	0.2
64.60974	0.2
69.03415	0.2
70.06602	0.3
70.64271	0.3
73.02897	0.2
74.41987	0.1
85.02860	0.2
101.00866	0.1
103.03156	0.2
103.03882	0.2
104.24462	0.2
109.05106	0.2
110.03519	2.0
110.07151	0.5
120.14757	0.2
126.40037	0.1
128.04570	0.5
135.03026	5.4
137.05942	0.3
139.03854	0.2
148.07166	0.2
152.05675	100.0
153.04079	4.1
177.00989	0.3
219.02003	0.5
232.26312	0.2
232.78844	0.2
243.02028	0.4
249.03062	0.1
258.93555	0.2
261.03085	2.6
284.09851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.295
Annotation	Stearamide
Peak:m/z	Relative Intensity
51.18579	0.1
51.86274	0.1
52.47500	0.1
55.01856	0.3
55.05518	1.9
56.05025	0.2
57.03450	0.8
57.07079	9.6
58.07445	0.2
60.04521	0.3
63.83461	0.1
67.05489	0.6
67.14349	0.1
69.07072	2.6
69.19342	1.0
69.19768	0.6
69.94529	0.1
70.06578	0.2
71.05005	1.2
72.04537	0.2
72.08157	0.5
74.06084	4.3
75.80635	0.1
79.05498	0.2
81.07043	0.6
83.04963	0.2
83.08623	1.7
85.06553	0.4
85.10180	1.4
86.06068	0.5
86.09714	0.2
88.07635	15.8
93.07040	0.5
95.08630	0.9
96.30464	0.1
97.06528	0.6
97.10171	1.0
100.07610	0.8
100.69820	0.1
102.09186	7.5
107.08559	0.4
109.10096	0.2
111.08057	0.2
111.11706	0.3
114.09184	0.3
116.10732	2.5
121.10146	0.3
122.69964	0.2
125.09634	0.2
128.14305	0.1
130.12280	1.0
135.11731	0.2
144.13815	0.6
158.15430	0.4
172.17004	0.4
180.00070	0.1
186.18503	0.3
200.20041	0.3
214.21733	0.3
223.48824	0.1
228.23146	0.2
284.29483	100.0
285.29807	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Negletein
Peak:m/z	Relative Intensity
51.02382	0.2
53.00307	0.4
53.03934	0.6
53.92521	0.2
55.05523	0.2
68.99763	0.3
69.07060	0.2
70.56284	0.5
79.01853	1.6
79.05492	0.2
79.62846	0.2
81.03422	0.3
81.07041	0.3
84.05283	0.2
85.32232	0.2
91.05473	0.3
93.07027	0.3
95.08598	0.3
100.15070	0.2
103.05473	0.5
105.03382	0.3
105.07065	0.2
107.01319	4.2
107.04935	0.3
109.02894	1.7
124.01546	0.9
128.06212	0.2
137.02344	2.3
147.04402	0.5
152.01070	0.7
154.24899	0.2
161.05934	0.2
165.01840	100.0
166.02214	0.3
177.05481	0.3
182.56538	0.2
190.61610	0.2
225.05582	0.4
242.05759	1.1
243.06482	0.5
253.08650	0.5
267.06531	1.1
270.05258	1.4
285.07602	13.6
285.10672	0.5
285.18597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0757
Annotation	Glycitein
Peak:m/z	Relative Intensity
55.01872	0.2
68.99789	1.6
70.83940	0.2
70.84267	0.3
80.99590	0.1
81.83613	0.1
83.76364	0.1
89.03923	1.2
91.05466	1.2
95.08649	0.2
96.02104	0.4
98.21574	0.2
101.32411	0.2
105.03396	0.5
107.04979	0.2
109.02863	0.2
111.04435	1.8
118.04193	0.9
119.04940	0.4
121.02901	0.3
124.01559	0.7
124.05175	0.3
133.02844	1.1
139.03906	1.9
141.07002	1.0
144.05721	0.2
145.02844	14.8
147.04440	0.2
151.03900	0.3
152.01035	4.7
153.07034	0.3
158.07265	0.2
161.06009	0.2
165.07013	0.3
167.03401	11.0
168.05693	0.8
169.06491	2.1
172.05164	0.2
179.03383	0.2
181.06509	0.5
183.08162	0.2
185.06053	0.3
186.06758	0.4
196.05194	0.8
197.05983	2.7
209.05978	0.2
210.06618	0.2
211.07446	0.2
213.05453	0.5
214.06235	0.7
221.06006	0.2
224.04654	1.6
225.05469	2.6
225.09074	0.3
225.16333	0.2
226.06265	0.4
226.16278	0.2
229.08606	2.6
239.07027	0.3
242.05731	4.1
252.04129	2.0
253.04988	0.5
253.08455	0.8
257.08084	2.4
267.06470	1.1
270.05231	11.5
285.07559	100.0
286.07938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01872	0.8
55.05519	2.0
56.05038	1.0
56.96556	1.3
57.03434	1.2
57.07069	0.7
60.04522	0.6
61.02916	0.4
65.03951	2.6
67.05518	2.8
69.03431	4.1
69.07056	1.4
69.57823	1.4
69.58228	1.0
69.61575	0.4
70.06597	12.6
71.04999	1.0
71.06937	0.7
71.08605	0.5
72.08162	3.8
79.05489	2.4
81.03424	5.9
81.07036	2.3
83.04986	0.9
83.08636	0.7
84.04511	4.8
84.08150	13.3
85.02914	5.9
85.06580	1.0
85.08464	0.7
85.24783	0.4
86.09705	5.3
89.03935	0.6
91.05475	2.5
93.07047	2.4
95.04976	5.9
95.08598	1.5
97.02898	1.7
97.06516	0.7
98.97584	3.1
99.04475	0.9
102.05556	0.9
105.07045	2.8
107.04971	1.0
107.08598	1.9
109.02907	2.9
109.06520	1.2
110.07179	1.8
111.04442	2.2
111.08071	0.7
112.08702	0.4
115.08675	0.6
116.00286	0.4
116.98627	1.2
117.07018	0.5
119.04943	0.6
119.08591	1.4
120.08082	2.3
121.02874	100.0
121.10155	0.9
123.08083	0.7
125.09660	0.6
127.03919	1.1
129.10242	4.0
130.04987	1.5
131.04968	0.8
131.08574	0.9
133.06508	0.6
133.10153	1.6
135.11684	0.9
136.06201	0.6
137.05966	3.4
139.03908	9.0
139.07579	0.8
143.00206	0.4
145.02844	0.5
145.10133	1.3
147.11732	0.8
148.03987	0.7
149.06009	0.5
149.13161	0.5
151.07574	0.5
153.05482	1.0
158.99696	0.8
159.11700	0.6
161.09685	0.7
163.03940	0.9
163.07570	0.5
163.11238	1.2
173.01196	0.6
173.09380	0.4
177.00751	0.7
177.05489	1.4
179.10637	0.9
181.05055	0.5
185.13269	0.4
190.36699	0.4
191.03578	0.4
195.08151	0.6
209.04483	0.7
210.14981	0.5
223.07579	1.2
227.12802	0.5
237.02921	0.5
240.07692	0.6
242.06256	0.4
247.13254	0.6
251.07074	1.4
260.07428	0.9
265.07043	2.8
265.14545	0.6
265.17688	0.4
268.07462	0.7
283.09985	4.1
283.14862	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0602
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
51.02365	0.2
53.00275	0.2
53.03933	0.2
55.01872	0.2
57.07070	0.5
63.02379	0.2
68.99783	0.7
70.15477	0.2
71.21383	0.2
78.99463	0.1
79.01845	0.5
79.05481	0.2
81.07050	0.2
89.03915	1.4
91.05474	1.9
93.06982	0.1
95.08629	0.2
105.03389	0.5
107.01305	1.9
107.08556	0.2
109.02863	0.6
109.10114	0.2
119.04900	0.5
121.02866	0.4
121.10166	0.2
122.03647	0.2
129.06995	0.4
131.08575	0.1
133.02869	1.4
137.02336	3.7
141.06992	2.2
145.02846	13.1
149.02371	0.2
152.06242	0.3
153.01801	0.3
153.06982	0.6
155.04898	0.3
157.06525	0.3
165.01840	18.6
169.06500	5.4
169.07654	0.1
177.01865	0.4
179.04924	0.6
181.06490	1.1
183.04437	0.4
185.05933	0.2
197.05984	5.9
199.07513	0.2
207.04396	0.4
209.05972	0.9
225.05476	2.8
227.07025	4.1
235.03954	0.2
237.05408	0.5
255.06506	4.1
265.04947	3.3
283.06003	100.0
284.06332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41494	0.2
53.03935	0.9
55.01862	0.6
55.05506	0.6
56.05037	0.2
56.96548	0.3
57.03430	0.7
61.02916	0.4
65.03940	2.2
67.05493	0.6
68.99791	0.3
69.03429	4.5
69.07052	0.6
69.15292	2.0
70.06596	2.9
71.01359	0.3
71.04984	0.7
71.08625	0.2
72.08152	0.7
79.05492	0.8
81.03421	5.0
81.07053	1.4
83.08614	0.3
84.04507	1.0
84.08141	3.7
85.02908	5.2
86.09709	0.8
91.05476	0.9
93.07034	0.8
95.04966	5.8
95.08600	0.8
97.02908	1.2
98.21540	0.4
98.97540	0.4
99.04460	0.8
102.05486	0.2
103.05501	0.2
105.07015	0.6
107.04975	0.3
107.08606	0.6
109.02879	2.6
109.06516	0.3
109.10159	0.2
111.04437	1.4
111.08110	0.2
112.33777	0.2
119.04902	0.3
119.08636	0.4
119.26577	0.2
120.08104	0.5
121.02872	100.0
121.10126	0.4
122.03184	0.4
127.03887	1.0
129.10233	1.1
131.08569	0.5
133.10120	0.3
135.08113	0.3
135.11746	0.4
137.05959	0.9
139.03903	9.0
139.43402	0.2
145.10060	0.4
151.07541	0.3
157.10165	0.3
163.03928	0.2
163.11208	0.4
177.05452	0.3
177.06944	0.3
183.02893	0.2
183.11659	0.3
187.14720	0.2
194.07271	0.3
195.08165	0.3
201.12872	0.2
205.06473	0.2
222.06842	0.2
229.12370	0.2
237.05522	0.3
238.08624	0.4
240.06473	1.8
241.07376	0.2
247.13474	0.3
247.16972	0.3
255.10260	0.3
265.07031	2.9
266.08002	1.5
268.07391	0.5
283.08017	0.8
283.10715	1.8
283.15347	0.5
283.20459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0602
Annotation	Corylinal
Peak:m/z	Relative Intensity
53.03952	0.3
54.87376	0.2
55.01629	0.4
55.01878	6.0
59.05013	0.5
66.11365	0.2
67.05493	0.4
68.24633	0.3
68.99796	3.0
69.03411	0.9
70.63480	0.6
71.93842	0.3
79.01857	0.9
81.03429	1.6
91.05486	1.3
92.99797	0.8
95.08591	0.6
97.02884	0.7
99.00826	1.3
109.02884	0.6
109.10171	0.3
111.15150	0.2
111.85580	0.2
121.02885	0.3
121.10200	0.4
123.00794	2.6
133.59924	0.3
136.27901	0.2
137.02356	2.5
141.01836	9.4
141.06975	0.3
152.06224	0.7
153.06984	0.6
155.04874	0.4
165.01848	41.9
173.13263	0.3
181.06505	3.5
183.02904	13.9
183.04449	3.5
209.06009	1.8
211.03952	4.9
211.41963	0.3
237.05482	6.5
255.02911	0.6
265.04974	61.4
283.06024	100.0
283.20633	0.8
284.06342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.06
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
52.03162	0.4
55.73412	0.3
67.05489	0.3
67.13629	0.3
69.76195	0.9
69.76602	0.5
74.60225	0.2
81.07052	0.5
83.08619	0.4
93.07070	0.3
95.04973	0.3
95.08616	0.5
98.98428	0.3
105.07044	0.3
108.02116	0.5
113.83498	0.2
128.06256	0.4
136.06186	0.6
139.05417	0.7
151.03918	1.4
153.07047	0.4
155.05077	0.3
156.05682	1.6
160.01591	0.4
165.06989	0.4
167.04921	1.5
168.05695	1.2
170.03587	0.4
171.04459	1.0
178.02473	0.3
179.04927	0.3
181.06516	0.8
184.05183	3.0
195.04482	0.6
196.05173	2.2
207.04291	0.4
211.03902	0.3
211.07564	1.2
212.04672	7.0
223.03923	1.2
224.04691	0.7
227.07016	4.9
239.03308	0.6
239.06978	0.6
240.04170	8.9
251.03363	0.7
252.04285	0.8
255.06529	10.7
268.03674	23.6
283.06009	100.0
284.06189	0.5
296.55258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0603
Annotation	3-Hydroxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
52.93202	0.2
55.01878	0.5
55.05516	2.1
55.17332	0.3
56.05027	0.7
56.96555	0.3
57.07063	0.7
60.04253	0.3
60.04527	3.1
67.05512	2.8
68.99795	0.4
69.07075	1.8
70.06567	0.3
71.52489	0.3
79.05505	1.6
79.90393	0.3
81.07067	2.8
83.08619	1.3
84.08163	0.3
89.06010	0.4
91.05499	0.5
93.07037	1.4
95.01329	0.7
95.04974	0.3
95.08610	2.5
97.06532	0.5
97.10175	0.8
98.97581	0.3
100.07578	0.3
100.55447	0.3
103.05460	4.3
105.03396	2.4
105.07028	0.3
107.01321	2.6
107.08583	1.1
109.10130	0.8
111.08128	0.3
121.10120	1.1
123.00796	16.3
123.11699	0.3
129.03368	0.6
133.08673	0.3
133.10213	0.3
135.11696	0.6
136.06171	0.4
141.01854	1.3
141.07069	0.3
146.03113	0.2
147.11642	0.3
149.13260	0.5
151.00255	0.5
153.01830	1.6
153.06956	0.5
171.02917	0.4
181.06476	0.9
192.97351	0.3
199.07527	0.6
209.05945	0.6
213.05495	0.3
220.04266	0.3
225.05420	1.0
227.07014	1.3
244.72382	0.3
246.31519	0.3
251.20053	0.5
252.26756	0.3
253.04973	12.4
254.05722	0.3
255.06567	2.7
281.04306	0.2
282.27933	9.0
283.06024	100.0
283.28265	3.6
284.06253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	0.2
69.31225	0.4
69.31549	1.8
69.86767	0.2
70.06596	1.9
70.90298	0.2
71.04994	0.8
72.08172	0.5
84.08137	0.8
86.09706	0.4
88.07634	6.1
89.03410	0.4
89.03919	4.6
89.04431	0.4
91.05470	0.5
96.36905	0.2
98.20737	0.4
103.05462	0.3
106.04163	0.5
106.08678	2.7
107.04921	0.3
112.11244	0.9
112.15267	0.2
117.03385	19.7
120.95791	0.2
129.13902	0.5
134.03645	1.4
135.04428	0.9
145.02853	52.4
149.05981	6.8
151.03937	0.3
152.04221	0.3
163.03899	2.8
170.79248	0.2
171.02078	0.3
177.05478	100.0
178.05870	0.3
186.05528	0.4
218.13641	0.2
256.07214	0.3
264.12274	0.9
265.10516	0.2
282.13348	2.2
282.16248	0.4
300.86737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
63.02382	0.3
69.07062	0.4
69.88126	0.4
69.88530	0.9
70.02944	0.5
70.06590	3.4
71.01378	0.4
71.04986	1.1
72.08160	1.9
73.06546	0.4
77.08324	0.2
84.04500	0.5
84.08135	1.4
85.02887	0.2
86.09711	1.6
88.03994	3.2
88.07633	6.7
89.03914	4.3
90.09163	0.6
91.05457	0.4
92.12952	0.3
95.04953	0.3
98.06049	1.5
103.05505	0.6
106.04172	0.6
106.04912	0.2
106.08662	0.9
107.04951	0.6
110.07176	0.4
112.11222	0.7
116.03461	0.5
116.07085	0.7
117.03383	18.9
119.04972	0.3
120.08098	4.8
126.47462	0.2
129.10286	0.5
129.13866	0.3
131.04997	0.2
133.02882	0.3
134.03621	0.7
135.04410	1.2
137.05984	0.3
143.11807	0.4
145.02847	53.9
149.05971	6.7
151.03900	4.1
151.05074	0.2
152.05658	1.3
158.08141	0.3
163.03905	2.2
166.08539	0.3
167.07027	0.6
177.05469	100.0
186.05447	0.7
189.09123	0.4
193.04939	0.4
223.08786	0.4
232.13080	0.3
236.09186	0.6
264.12289	2.5
264.14999	0.3
265.10718	0.8
265.13699	0.2
280.18106	0.5
282.07721	0.4
282.10294	0.4
282.13327	5.6
282.16202	0.6
282.21912	0.3
297.57834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
56.05026	1.0
56.96571	3.5
60.04515	1.5
61.02905	0.9
65.03933	0.8
69.03416	1.9
69.07062	1.0
70.02939	0.8
70.06596	9.3
71.04986	1.6
71.52000	0.7
72.08150	7.2
73.02901	0.9
74.06060	1.0
81.03412	1.3
84.04488	2.6
84.08144	11.3
84.96045	0.8
85.02911	3.0
85.19405	0.7
86.09702	3.5
87.04433	0.7
88.03984	3.1
88.07645	6.7
89.03905	5.2
91.05479	2.9
92.05791	0.8
97.02884	2.0
98.97588	5.9
99.15801	0.6
102.05538	1.2
106.08691	2.9
107.04948	0.9
109.02878	1.6
110.06060	0.6
110.07137	2.2
110.97570	1.4
115.08639	0.9
116.07061	0.8
116.98630	1.8
117.03388	20.2
119.04984	0.7
120.08131	6.3
121.02880	2.3
121.06535	0.7
121.08447	5.0
122.03702	0.9
127.03896	1.0
128.98628	1.3
129.10237	4.2
130.06528	0.8
133.02887	1.0
134.03601	1.3
134.99695	0.9
135.04413	2.0
136.06184	3.7
137.05972	11.9
138.05406	1.2
138.06390	0.9
145.02849	54.9
147.04414	1.0
149.05991	7.6
150.07745	6.1
151.03932	3.2
152.04266	3.3
152.07018	1.3
156.07820	0.7
162.05499	0.9
163.03857	1.0
165.01878	2.3
166.08658	1.3
167.08984	2.1
169.03351	1.0
170.99577	0.9
176.09071	1.1
177.05476	100.0
186.05449	1.1
186.99232	0.6
192.03661	0.6
193.01376	5.8
201.07430	1.4
206.11813	5.0
213.00497	0.6
213.48560	0.7
219.01799	2.5
222.07549	1.3
222.09523	1.1
236.08986	0.7
236.11127	1.6
237.02811	2.5
247.07913	0.8
252.06538	1.3
258.06644	0.8
261.06940	3.5
261.57462	0.7
264.08725	1.7
264.12485	1.2
270.07718	1.2
273.07101	0.9
282.09607	3.6
282.13110	2.1
282.16479	1.7
282.22266	2.8
283.09360	1.4
300.05984	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1125
Annotation	Oxoassoanine
Peak:m/z	Relative Intensity
55.01864	0.9
66.24094	0.3
68.86076	0.4
70.76057	1.0
82.58648	0.3
91.05455	0.5
94.95314	0.3
117.03384	0.6
121.06502	0.9
134.06050	0.8
134.09628	0.4
134.63313	0.3
152.06187	1.6
153.07001	1.2
165.01857	0.6
165.06952	2.6
166.06516	0.4
166.07823	0.9
167.08583	8.1
169.10255	0.4
177.06989	3.2
178.06387	0.3
178.07779	0.9
179.07266	1.4
179.08585	1.0
180.08081	3.7
181.06505	0.9
182.07326	0.8
192.05635	0.4
192.08110	1.4
193.08910	2.3
194.09662	16.2
195.08060	6.4
195.09924	0.6
196.07530	0.4
197.09657	0.6
203.07442	0.5
204.08098	13.5
205.06429	4.8
205.08562	0.3
205.09064	0.3
206.05911	0.6
207.06812	13.3
210.06752	1.4
210.09016	0.7
211.07594	0.6
211.09825	0.3
220.07524	1.2
221.08348	2.3
222.09143	29.3
223.07570	11.2
223.09784	1.4
224.06883	0.4
225.09103	1.3
226.12379	0.4
228.45778	0.3
232.07559	5.0
233.08395	0.9
236.07036	0.6
236.10707	1.1
238.08673	1.1
238.37782	0.4
239.07291	0.5
239.09253	1.7
249.07852	3.5
250.08661	6.2
250.12717	0.4
251.09427	3.5
254.11771	33.5
264.10324	0.8
265.04953	0.7
282.11255	100.0
283.06024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01873	0.4
57.03431	0.5
59.04989	0.6
61.02922	0.2
68.65282	0.2
69.03435	2.1
69.87790	0.4
69.88197	0.4
70.06580	0.5
71.05000	0.2
71.60698	0.1
75.04466	0.2
84.04525	0.2
84.08141	0.5
85.02903	0.5
87.04462	0.6
89.06042	0.1
94.04056	0.6
97.02896	0.5
98.97611	0.3
101.06019	1.0
102.63476	0.2
104.05371	0.3
115.03946	0.4
119.03571	0.9
129.10269	0.3
133.43648	0.1
136.06189	100.0
137.04587	0.5
147.06482	0.3
151.03906	0.2
195.52783	0.1
205.97824	0.1
218.08217	0.2
282.11987	5.5
282.22314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.05512	0.3
56.05041	0.3
56.96561	0.4
58.72868	0.2
60.04520	0.2
63.02060	0.3
63.02381	0.5
63.62344	0.2
66.33242	0.2
69.94206	1.1
70.06596	3.1
71.04998	0.9
72.08142	1.2
78.04708	0.3
81.03443	0.2
84.04525	0.5
84.08150	2.1
85.02874	0.3
86.09706	1.0
88.04013	0.3
88.07635	5.8
89.03920	5.8
91.05492	0.6
93.07042	0.3
94.10444	0.2
98.97591	0.8
101.10633	0.2
102.93005	0.2
103.05443	0.3
106.04198	0.2
106.08669	2.4
107.04982	0.3
110.07161	0.5
112.11269	0.8
112.72253	0.2
116.07095	0.4
117.03390	21.7
119.04970	0.3
120.08119	1.4
129.10297	0.5
129.13913	0.4
133.02917	0.3
134.03671	1.0
135.04428	1.6
137.05945	0.4
140.36018	0.3
145.02850	54.7
149.04793	0.4
149.05978	7.6
151.03917	1.0
152.04283	0.8
152.05673	0.3
152.06996	0.3
163.03908	2.6
177.05475	100.0
186.05522	0.7
197.08797	0.2
264.12308	0.9
282.07590	0.4
282.10632	0.3
282.13455	0.8
282.16290	0.3
282.22217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93130	0.2
63.02386	0.5
70.06587	1.5
70.46182	0.3
70.46523	0.5
71.04986	1.0
73.09966	0.2
78.69778	0.2
79.13799	0.2
86.09723	0.3
88.07635	6.9
89.03916	3.4
97.25878	0.2
98.61340	0.2
103.05503	0.3
106.04137	0.2
106.08669	0.8
117.03383	16.9
120.08121	0.4
134.03630	1.1
135.04420	0.5
145.02847	48.9
146.59644	0.2
149.05980	6.4
163.03912	0.6
167.22186	0.2
177.05470	100.0
186.05473	0.4
234.11322	0.3
244.75732	0.3
264.12393	1.5
282.13373	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	281.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29433	0.2
55.05503	1.0
60.05640	0.9
65.02482	0.3
65.03938	0.5
67.05486	0.4
69.07058	0.4
70.06593	2.6
70.95584	0.6
72.08157	5.7
78.82847	0.3
83.08613	0.7
84.04514	0.3
84.08134	0.7
85.02912	0.5
86.09696	1.1
89.10802	0.4
91.05493	0.3
95.05019	0.4
97.07645	1.4
97.10155	0.3
98.06045	1.1
101.09657	0.5
108.02077	0.5
110.03656	0.3
110.07137	0.2
114.10296	7.5
115.08700	5.4
120.08049	1.2
125.06004	0.4
127.08694	0.3
129.10248	0.5
136.06233	0.4
141.05479	0.6
143.97311	0.2
151.03911	100.0
151.04939	4.4
168.06540	0.3
179.08589	0.3
192.99512	1.3
206.10542	1.1
221.12875	8.5
222.11263	11.4
239.13979	1.1
258.48859	0.2
263.14944	0.3
264.07022	0.6
264.13464	10.4
267.11951	0.3
267.55640	0.2
279.13629	0.2
281.16095	61.2
282.16516	0.5
292.85449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2478
Annotation	Chaulmoogric acid
Peak:m/z	Relative Intensity
52.34396	1.4
53.03926	1.5
55.01860	1.3
55.05512	67.5
56.96559	6.1
57.03426	2.0
57.07079	21.3
65.03939	1.9
67.05509	44.0
69.03416	2.8
69.07070	100.0
69.44426	5.5
69.44852	4.4
71.04974	3.9
71.08292	1.3
71.08634	10.3
71.95281	1.2
73.06575	1.3
79.05070	1.9
79.05497	23.2
81.07059	74.6
82.07361	1.6
83.04981	4.8
83.08623	74.6
85.06560	6.5
85.10162	3.9
91.05470	17.3
93.06489	2.2
93.07052	31.3
93.43874	1.3
95.08608	65.4
97.06541	12.3
97.10172	66.0
98.97591	12.0
99.08117	2.7
101.06011	2.9
105.07040	17.9
107.08603	22.6
109.06519	3.1
109.10157	39.4
111.08105	7.7
111.11726	27.9
113.09629	1.9
116.98610	4.3
119.08594	20.3
121.10151	22.9
123.08060	4.8
123.11712	15.2
125.09612	5.3
125.13248	8.0
127.07509	1.9
128.98563	2.2
129.09111	2.6
131.08627	2.4
133.10144	23.5
134.68341	1.2
134.99678	1.6
135.11694	18.7
137.09625	6.9
137.13229	7.5
138.25485	1.4
139.11171	4.0
139.14819	2.1
141.09096	2.4
147.11694	21.4
149.02301	1.6
149.13264	16.3
151.02861	2.4
151.11176	10.5
151.14857	4.1
153.12718	4.1
153.16368	2.0
155.10669	1.7
158.99512	1.5
161.13284	11.9
163.14835	8.6
165.12758	7.7
165.16359	2.9
167.14349	4.3
170.99622	2.6
175.14859	10.2
179.14294	7.4
179.17989	3.1
181.15883	4.6
189.16391	8.5
192.91077	1.9
193.15895	4.8
199.16916	1.5
203.17972	2.1
207.17508	3.4
210.10922	1.8
217.19510	1.7
219.21030	1.6
221.22676	5.3
223.12442	1.3
225.18663	1.5
228.97630	1.5
231.11427	3.4
234.92239	2.5
240.11902	9.2
243.12643	1.7
245.22672	29.8
252.93199	1.7
260.63361	3.8
263.23715	30.2
281.05008	1.8
281.24722	22.3
282.27893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84726	1.8
55.01854	4.3
56.05024	4.0
57.03424	8.0
58.66202	1.9
61.02920	8.4
69.03430	10.2
69.86510	6.2
72.08138	3.9
73.02927	44.4
74.06073	2.8
74.09704	8.1
76.62455	1.7
79.98251	1.6
81.03445	2.7
82.99873	1.6
84.08138	5.1
85.02909	30.6
86.60112	1.7
87.01948	2.2
91.03952	2.2
91.05476	8.5
93.01884	2.5
94.02676	1.9
94.93011	2.9
97.02904	14.8
98.20840	2.2
98.97583	2.3
99.04459	3.1
101.00876	11.0
102.02398	4.7
102.05564	12.7
103.05865	6.0
107.04933	2.2
107.21542	1.7
108.02407	3.7
109.02899	4.4
111.02930	4.8
111.18140	2.0
112.89622	19.4
113.00841	3.1
117.02917	6.4
118.08646	8.0
119.01922	7.9
119.04944	5.8
119.08991	3.8
123.02918	8.1
127.03928	10.3
129.02930	2.9
131.01898	6.5
132.03426	8.1
132.10207	2.1
135.02895	3.9
135.04410	4.6
136.06172	7.5
137.05975	30.7
138.03406	5.1
140.06834	42.4
143.00874	2.8
143.01910	34.3
144.03442	6.5
145.03433	4.5
145.04979	5.2
147.03970	9.9
150.07764	100.0
153.03983	10.3
153.54015	3.2
155.01884	13.6
156.04333	9.7
157.03474	5.0
161.02972	22.6
162.03273	3.1
162.04504	15.2
164.07375	6.0
165.03973	4.9
165.07761	5.8
167.01915	7.0
173.02950	23.7
174.04524	15.5
174.54572	2.0
183.05031	79.8
183.55196	5.6
185.02946	18.7
186.03127	2.1
191.04042	2.8
192.05566	66.2
192.55670	4.3
203.04008	22.1
203.56389	3.5
208.01378	4.4
215.04028	3.6
216.99677	3.0
218.08102	6.6
221.05011	5.6
233.05014	2.1
236.01003	3.1
236.09146	4.1
245.05132	5.9
259.02689	3.8
263.06171	5.7
265.07083	23.8
282.01608	6.6
282.04889	77.8
282.09476	8.1
282.12027	5.5
282.14590	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
55.01877	0.5
55.05505	0.3
57.03433	0.1
57.07063	0.4
65.03947	1.0
67.01865	0.7
67.05498	0.4
68.99789	0.5
69.03426	0.3
69.07056	0.5
69.24871	0.2
69.25272	0.9
70.30502	0.1
71.04989	0.2
75.02358	0.2
75.24480	0.1
77.03925	0.1
77.12939	0.1
79.01854	0.3
79.05502	0.2
79.31379	0.1
81.07081	0.7
83.01324	0.2
83.08613	0.3
91.05469	0.3
93.03407	0.2
93.07037	0.3
95.08624	0.7
97.06542	0.2
97.10131	0.2
100.11242	0.4
103.01820	0.8
103.05461	0.1
103.54156	0.1
103.56168	0.1
105.03371	0.4
105.07060	0.3
107.08582	0.4
109.10165	0.2
111.04462	0.1
115.05465	0.4
119.08591	0.3
121.02879	0.4
123.11749	0.2
127.05425	0.4
128.06195	0.1
129.03389	0.8
129.07004	0.5
131.08537	0.1
133.02869	0.3
133.10161	0.2
135.08087	0.4
141.01860	0.2
141.06998	2.0
143.04974	0.2
145.02759	0.1
145.10127	0.2
149.02321	0.1
150.02586	0.1
152.06232	1.6
153.07025	1.3
155.05019	0.6
155.06021	0.2
157.06485	0.4
161.02344	0.9
163.05435	0.3
165.01836	0.1
168.05768	0.1
169.06505	2.9
169.07736	0.1
171.04428	1.9
171.11755	0.2
179.04903	0.3
181.06487	1.9
183.04544	0.3
197.05991	4.4
199.03911	2.1
199.18033	0.3
207.04474	0.2
209.05870	0.1
225.05493	4.5
227.03468	1.5
235.04027	0.2
245.22731	0.2
253.04976	4.5
263.03424	0.6
263.09030	0.1
273.23929	0.1
281.04465	100.0
281.22089	0.7
282.04813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1539
Annotation	CHEBI:70699
Peak:m/z	Relative Intensity
53.03954	0.8
55.01873	0.6
55.05513	1.3
56.96581	0.6
57.07083	0.8
67.05497	1.3
69.03438	1.1
69.07081	1.5
71.05031	0.3
71.08649	0.4
71.51946	0.3
72.08148	0.3
77.03934	0.4
79.05498	1.9
79.86209	0.3
81.03439	0.5
81.07077	1.7
83.08622	1.1
84.08164	0.3
85.61086	0.3
91.05481	2.6
93.07034	1.3
95.04967	1.0
95.08596	1.3
97.02909	0.3
97.06539	0.5
97.10184	0.3
98.97588	0.8
103.05466	0.9
105.03387	0.4
105.04504	0.4
105.07043	7.3
107.04967	100.0
107.08614	1.1
109.06577	0.3
109.10158	0.9
111.08092	0.4
111.11679	0.3
115.05469	0.9
116.06248	0.3
116.98618	0.4
117.07036	0.9
119.04869	0.4
119.08609	1.7
120.08117	0.3
121.06513	5.5
121.10187	0.5
123.08102	0.3
123.11748	0.3
125.06044	0.3
127.03938	0.8
129.07021	0.7
131.04953	1.0
131.08591	1.2
132.05730	0.6
133.06508	57.5
135.08058	1.0
135.11682	0.3
137.06007	0.3
141.07033	0.4
144.05710	0.5
145.06509	5.0
146.07263	0.9
147.08061	26.9
149.02373	0.6
149.09619	0.5
149.13304	0.3
150.02689	0.5
151.02831	0.5
151.07663	0.3
155.05995	0.3
157.06471	0.6
158.07387	0.3
158.99709	0.4
159.08043	2.3
159.11708	0.9
161.05983	1.1
161.09639	5.8
163.14859	0.4
167.07028	0.5
169.10042	0.5
173.06021	0.3
173.09624	1.1
173.13263	0.3
175.11212	0.7
181.04993	0.8
187.11209	25.3
189.05498	0.7
197.05937	0.3
200.12421	0.4
205.12250	0.4
213.04230	0.3
221.06239	0.3
221.08128	1.2
231.05383	0.3
233.08070	0.8
243.58670	0.3
245.15321	0.4
251.09204	0.7
263.09164	0.9
263.14154	0.5
272.14670	0.5
281.04465	3.3
281.07883	0.6
281.15341	10.4
281.18481	0.6
281.75595	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.2
55.01880	0.7
55.05505	0.3
57.07066	0.2
65.03941	1.0
67.01847	0.5
67.05491	0.2
68.99786	0.5
69.03419	0.4
69.07059	0.4
69.72490	0.4
69.72901	0.3
75.02345	0.2
76.19913	0.1
76.36943	0.1
77.64082	0.1
79.01855	0.4
81.07054	0.6
83.01338	0.2
83.08604	0.3
91.05459	0.2
93.07057	0.3
95.08597	0.6
96.46516	0.1
97.06527	0.2
97.10146	0.1
100.11265	0.4
103.01839	1.1
103.05456	0.2
105.03400	0.4
105.07006	0.4
107.05013	0.1
107.08592	0.5
109.10195	0.3
111.04458	0.2
115.05421	0.8
119.08592	0.2
119.90541	0.1
120.08087	0.2
121.02863	0.5
123.11712	0.2
127.05452	0.3
129.03387	0.8
129.06998	0.3
131.04890	0.2
133.02843	0.3
135.08049	0.5
137.13239	0.1
141.01817	0.2
141.06985	2.3
143.04872	0.3
145.02841	0.2
145.06490	0.2
147.00800	0.1
147.11751	0.2
149.02351	0.2
150.02693	0.2
151.02856	0.2
152.06235	1.5
153.06981	1.3
155.04901	0.5
157.02831	0.2
157.06465	0.5
161.02342	0.7
163.05408	0.3
169.06488	3.1
171.04419	2.5
171.05775	0.3
171.11617	0.2
179.04893	0.4
181.04967	0.2
181.06441	1.8
185.05962	0.2
197.06009	4.8
199.03914	1.7
207.04401	0.3
209.05899	0.2
225.05463	4.7
225.07648	0.3
227.03426	2.1
235.03813	0.2
253.04974	4.4
263.03333	0.5
281.04453	100.0
282.04803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1294
Annotation	Phe-Asn
Peak:m/z	Relative Intensity
53.03948	0.2
55.01880	0.4
55.05502	0.6
56.01196	0.2
56.05027	0.7
56.96567	1.7
57.03436	0.7
57.07063	0.7
60.04517	0.6
60.05637	0.4
61.02922	0.5
62.72197	0.2
67.05496	0.6
68.05016	0.3
69.03430	1.8
69.07057	0.3
70.02937	0.4
70.06596	6.0
70.31416	0.7
71.04977	0.3
71.06926	0.9
72.08156	2.9
73.02915	0.9
74.02446	1.7
74.06059	0.3
79.05466	0.4
81.03419	0.4
81.07055	0.3
82.06562	0.2
83.04963	0.2
84.04506	1.7
84.08149	4.3
85.02909	2.7
85.06535	0.2
86.09695	2.1
87.04465	0.8
87.05590	4.5
88.04002	1.2
91.03989	0.2
91.05495	1.4
93.07050	1.5
96.08157	0.2
97.02894	2.1
98.06062	0.2
98.21452	0.2
98.97585	3.7
99.04507	0.2
99.97950	0.6
101.00886	0.4
101.10811	0.2
102.00961	0.2
102.05550	0.4
102.84177	0.2
103.05469	5.8
103.06155	0.3
105.52329	0.2
107.04976	0.4
109.02837	0.3
109.06538	0.2
110.07182	1.1
110.97566	0.4
112.07616	0.3
112.08751	0.3
113.07093	0.3
115.03934	0.5
115.08719	0.6
116.03458	0.7
116.07095	0.6
116.98626	1.2
117.03403	0.3
118.08648	0.3
119.01913	0.6
119.04946	0.5
120.08109	100.0
121.08453	0.4
125.01730	0.2
127.03900	0.5
128.98631	0.6
129.10251	2.0
130.05034	0.3
130.06532	0.3
130.08644	0.3
131.01897	0.8
133.06091	19.9
135.04378	0.2
136.07590	0.4
137.06023	1.1
141.03888	0.2
143.01903	0.7
145.02873	0.7
145.04930	0.4
146.02327	0.2
146.99684	0.3
147.04427	0.8
149.02361	3.0
150.02682	2.8
151.03976	0.3
154.05008	0.3
157.03503	0.3
158.99663	1.1
160.00090	0.4
160.43352	0.2
160.53575	0.2
161.02986	0.9
161.06053	0.3
163.03874	1.0
164.07097	0.7
166.08621	0.2
169.09769	0.2
170.99661	0.4
172.07726	0.4
173.02969	0.7
173.97586	0.2
175.08823	0.2
175.11899	0.4
177.00801	1.0
177.05457	1.2
178.01082	0.8
185.02986	0.8
189.00658	0.4
190.04950	0.6
191.03993	0.3
195.04971	0.4
199.05534	1.8
203.04059	0.3
205.03754	0.3
205.05487	0.4
206.11903	0.3
212.02312	0.3
213.06108	0.3
214.06047	0.4
217.09859	0.2
219.01773	0.5
234.13441	0.3
237.02725	0.3
238.00322	0.4
238.03261	0.5
239.01810	0.5
239.04077	0.4
245.05098	0.4
245.09293	0.3
246.07683	0.2
256.01294	0.9
257.02814	0.8
257.05161	0.3
263.10281	8.0
265.06036	0.7
271.15460	0.4
275.05878	0.3
279.67761	0.4
280.08530	1.1
280.12888	5.1
280.15527	0.5
283.02536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
69.78215	1.5
81.03461	0.3
82.05848	0.3
86.06084	1.3
86.09728	0.4
87.10056	0.4
87.22401	0.3
89.03927	4.2
90.37086	0.3
91.05511	0.4
106.04150	0.5
115.30886	0.4
117.03393	19.5
134.03644	1.1
135.04443	0.7
145.02859	51.9
146.03145	0.4
149.02364	0.5
149.05997	6.5
163.03905	0.5
177.05486	100.0
178.05872	0.4
186.05536	0.5
206.02158	0.3
210.12448	0.3
280.11856	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94709	0.2
57.07080	0.6
57.24536	0.2
63.02375	0.3
69.49745	0.4
69.50153	0.9
70.06593	0.8
72.08129	0.3
82.20963	0.2
84.08141	0.7
86.06080	1.5
86.09705	4.5
87.04468	0.4
87.10033	1.5
89.03920	3.9
91.05470	0.5
98.97598	0.4
103.05468	0.2
106.04166	0.5
117.03384	19.3
120.08107	2.7
121.06490	0.3
121.07677	0.3
121.08458	3.5
129.10152	0.3
134.03606	1.0
135.04410	1.0
145.02847	50.1
147.04320	0.3
149.02373	2.0
149.05991	7.1
150.02701	1.5
163.03896	0.5
166.08752	0.3
177.05472	100.0
178.05817	0.3
181.43648	0.2
186.05499	0.7
204.26056	0.2
204.54829	0.2
215.46584	0.2
219.01624	0.2
280.09024	0.3
280.11777	2.8
280.17343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05040	0.3
57.07079	0.6
57.17394	0.2
58.07406	0.3
60.04542	0.3
63.02377	0.3
69.03439	0.3
69.07066	0.3
70.06596	2.6
72.08156	2.1
74.06055	0.3
74.52110	0.2
77.05098	0.3
79.05488	0.3
84.04498	0.9
84.08157	3.4
85.02895	0.4
86.06097	1.3
86.09711	3.3
87.04475	0.3
88.03979	0.3
89.03919	5.6
91.05498	0.9
97.02859	0.3
98.05972	0.3
98.21514	0.6
103.05423	0.3
106.04153	0.6
107.05014	0.4
110.07176	0.9
112.11214	0.4
116.07145	0.2
117.03387	21.4
119.04951	1.1
120.08145	0.7
121.06512	0.3
121.43841	0.3
128.83215	0.2
128.88092	0.3
129.10251	1.9
130.06569	0.3
132.08105	0.7
134.03601	1.4
135.04416	1.1
137.06009	0.4
145.02853	52.9
147.04420	2.5
149.02344	3.1
149.05992	7.4
150.02676	3.0
151.03874	0.4
162.02002	0.3
163.03912	0.8
164.07040	0.2
170.06035	0.3
177.05478	100.0
178.05971	0.4
186.05511	0.4
193.03688	0.3
262.10596	0.3
280.11829	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.27979	0.8
53.03943	1.3
55.05514	9.5
57.07069	2.2
64.10620	0.8
65.03933	2.9
67.05506	100.0
69.07071	9.8
69.68967	1.6
69.69376	4.1
69.75939	0.8
71.04975	1.1
79.05495	10.6
81.07059	99.7
83.08620	6.3
84.16331	0.8
84.63169	0.8
85.06524	1.9
91.05484	3.8
93.07043	10.9
95.08610	87.6
96.08947	0.9
97.06517	2.3
97.10161	3.3
99.08106	1.2
102.33945	0.8
105.07027	2.7
107.08603	8.2
109.06567	1.0
109.10159	29.3
111.11727	0.9
117.07020	1.7
119.08569	3.1
121.10141	8.2
122.59573	0.8
123.08097	1.8
123.11719	17.8
127.07550	1.0
131.08562	5.2
133.10110	3.1
135.11700	5.5
137.09653	1.1
137.13264	13.5
145.10089	1.6
147.11697	2.4
149.02338	7.4
149.09673	1.5
149.13255	3.9
151.14793	5.7
159.11690	3.6
161.13231	2.8
163.11209	1.9
163.14790	2.1
164.09247	0.7
165.12796	1.1
165.16397	1.5
167.10701	1.3
172.01067	0.8
173.13278	7.5
177.12770	3.1
179.14282	1.6
181.12216	1.9
187.14853	3.1
188.40520	0.8
191.14305	2.3
195.13837	4.7
205.15926	1.7
209.15390	5.2
219.17377	0.8
219.21045	0.8
223.16959	3.9
226.42426	0.9
237.18478	1.0
243.21121	3.1
247.53883	0.8
248.24500	0.8
261.22247	3.8
279.23190	37.9
282.67850	0.9
300.64343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.24622	0.5
53.03946	0.8
55.01886	0.6
55.05514	8.0
57.07077	5.2
64.06036	0.5
65.03940	2.7
67.05508	100.0
69.07076	8.4
69.45399	2.6
69.45807	1.2
71.05006	1.1
79.05498	9.3
81.07060	93.2
83.04998	1.1
83.08618	4.8
85.06567	1.5
91.05477	3.3
93.07046	8.5
95.08611	72.2
97.06547	1.0
97.10165	2.8
99.08069	0.6
105.07043	2.4
107.08599	5.9
109.06512	0.6
109.10159	39.8
111.11695	0.9
117.07072	0.7
119.08588	2.0
121.02822	1.1
121.06568	0.6
121.10147	5.8
123.08101	1.3
123.11709	25.1
127.07545	0.9
131.08606	2.8
133.10144	1.9
135.11694	3.0
137.09630	1.1
137.13266	7.8
141.88449	0.5
145.10155	1.8
147.11687	2.0
149.02350	29.4
149.13251	2.0
151.14842	1.7
153.09195	0.6
159.11681	1.6
161.13278	1.6
163.11134	1.2
163.14844	1.3
165.12753	0.9
167.10666	1.0
173.13307	2.8
177.12875	1.0
177.16420	1.2
181.12297	0.8
181.81932	0.5
187.14839	1.6
191.14418	0.8
195.13789	1.5
205.15901	0.7
209.15352	2.5
212.87251	0.5
219.05611	0.6
222.64703	0.5
223.16898	2.5
237.18423	0.9
243.21097	2.1
261.22186	3.8
279.09406	0.7
279.23199	37.2
298.26532	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05443	0.3
68.19600	0.2
69.44039	1.1
69.44440	0.6
70.06463	0.4
75.00782	0.2
81.03319	0.4
81.06939	0.3
84.08031	0.6
85.02818	0.3
98.20776	0.6
98.97495	0.5
101.00750	0.3
109.02766	0.6
116.98549	0.4
119.01769	2.0
131.01712	0.3
134.99751	0.4
135.99821	0.3
137.01787	0.3
140.98753	0.4
142.03435	0.6
149.02222	0.4
150.02573	0.6
158.99907	1.8
166.00847	0.3
171.00058	0.4
177.00969	9.1
177.02423	0.4
189.01213	0.3
196.94441	0.5
197.00517	0.5
198.46654	0.4
198.48587	0.3
198.98521	0.3
202.93321	2.0
205.94894	0.3
206.45026	0.5
206.94838	0.3
208.02017	0.5
211.34929	0.3
214.96312	1.3
215.95580	0.3
217.02588	0.3
217.45815	0.4
217.95804	0.7
218.45607	0.5
219.02112	1.3
220.94336	2.0
226.03085	0.3
226.95592	0.4
229.96497	0.3
232.96512	0.7
238.95551	22.3
238.99471	0.6
243.96028	0.6
245.92987	0.3
248.00107	1.8
249.97127	0.3
256.96628	100.0
257.96774	1.6
258.96829	1.0
260.28003	0.4
260.61359	1.3
260.94901	1.0
261.97147	8.6
268.28674	0.8
268.61871	0.6
274.94519	1.0
274.97693	29.4
275.98083	0.4
276.92230	0.5
279.98239	57.9
280.98553	0.7
284.98712	0.4
290.95599	0.3
292.95309	0.5
297.95966	0.5
297.99274	6.4
302.99863	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2321
Annotation	Hedaol B
Peak:m/z	Relative Intensity
52.75024	0.3
53.03918	0.7
54.25340	0.3
55.01839	0.6
55.05509	4.1
56.96542	1.1
57.03418	1.0
57.07080	14.6
65.03927	1.4
67.05505	23.3
69.06731	0.5
69.07069	5.9
70.92883	1.0
71.04976	1.5
71.08613	0.6
79.05491	7.1
81.07056	28.2
83.04977	0.8
83.08625	3.7
85.06530	1.4
91.05488	3.8
93.03400	0.5
93.06490	0.6
93.07047	8.4
95.04958	1.1
95.08607	21.6
97.06522	2.1
97.10162	2.2
98.97593	2.9
99.08076	0.7
105.07040	3.4
107.04978	0.5
107.08590	6.3
109.06499	0.8
109.10158	10.3
110.97546	0.5
111.08059	1.3
111.11683	0.4
116.98610	1.2
117.07022	1.1
119.08585	2.9
121.02859	3.9
121.03959	0.6
121.10149	5.5
123.08109	0.9
123.11707	4.8
125.09623	0.6
128.98616	0.5
131.08591	2.3
133.10135	2.6
135.08066	0.9
135.11700	4.0
137.09596	0.6
137.13286	1.9
139.11189	0.8
140.00157	0.3
145.10124	2.6
147.11693	3.0
149.02342	100.0
149.09631	0.7
149.13251	1.9
150.02670	0.6
151.11171	0.8
151.14775	0.5
158.99574	0.8
159.11696	1.6
161.13258	3.2
163.11252	0.7
163.14806	1.1
165.12758	0.6
165.16309	0.4
167.03427	1.7
167.10794	0.4
170.99603	0.5
173.13327	1.6
175.14854	0.5
177.00710	1.7
177.16412	0.6
179.14337	0.8
181.12254	0.5
187.14868	0.7
189.00729	1.1
190.05000	0.8
197.00633	0.5
200.02292	0.4
201.16400	0.8
205.08604	1.4
207.01811	0.5
209.15242	0.4
219.05780	0.8
219.17513	0.4
219.21158	0.4
223.16885	0.5
237.02808	0.4
243.21095	2.5
261.22128	5.5
279.03659	0.4
279.09381	1.0
279.23215	17.3
301.46497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03930	0.7
55.05519	6.6
55.05764	1.0
57.07076	4.1
65.03942	2.7
65.54880	0.8
67.05508	94.7
68.19170	0.8
69.07072	9.0
69.66360	4.2
71.04982	0.8
79.05492	11.2
79.05925	1.1
81.07059	100.0
83.05019	1.0
83.08626	6.2
85.06550	2.2
91.05473	3.9
93.07044	9.5
95.08612	81.6
97.06586	1.6
97.10165	2.5
99.08111	0.8
105.07065	2.3
107.08587	7.8
109.06531	1.0
109.10162	28.8
111.08103	1.0
111.11723	1.0
114.07235	0.7
115.70425	0.7
117.07038	1.5
119.08595	1.7
121.10133	6.4
123.08053	1.6
123.11724	18.1
131.08574	6.1
133.10135	1.9
135.08130	1.0
135.11676	5.8
135.73128	0.7
137.09621	1.3
137.13255	15.4
138.16891	0.8
138.52968	0.9
141.12817	0.7
145.10139	3.1
147.11713	3.4
149.02348	14.0
149.09630	1.7
149.13303	5.0
151.14821	5.0
159.11740	2.6
161.13290	1.9
163.11174	1.3
163.14851	2.1
165.12714	1.0
165.16414	1.3
167.10690	1.3
173.13257	7.1
177.12779	2.7
177.16356	0.9
179.14317	1.1
181.12288	1.4
184.07402	0.7
187.14825	2.8
191.14302	2.6
195.13847	3.5
205.15918	1.3
209.15398	5.5
223.16875	4.0
237.18558	1.4
243.21133	3.3
247.82352	0.7
261.22092	3.8
264.04544	0.9
279.23206	37.8
299.74414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05012	0.4
57.05821	0.3
57.07066	1.2
58.06608	0.3
67.05508	0.6
69.07070	11.8
69.79121	0.4
69.79516	0.8
70.06601	0.7
81.07069	0.4
86.09709	100.0
98.97604	0.6
103.05457	0.5
120.08111	11.0
121.02904	0.3
149.02347	7.6
149.03525	0.5
166.08640	5.8
177.05444	0.3
177.96832	0.2
198.03076	0.2
199.75473	0.2
221.34209	0.2
233.16586	0.4
279.10159	0.5
279.14108	0.6
279.17023	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	279.1705
Annotation	Leu Phe
Peak:m/z	Relative Intensity
57.07068	0.7
65.83351	0.3
69.07090	0.3
70.13948	0.3
70.79079	0.6
70.79415	0.6
75.49302	0.3
86.09710	100.0
93.07077	0.3
103.05479	2.8
112.44282	0.3
120.08111	58.2
123.10152	0.4
131.04948	0.4
132.10220	1.1
149.02365	2.8
166.08659	9.7
188.08127	0.3
233.16544	1.4
279.17047	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	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
50.75596	0.1
53.03937	0.1
57.07075	2.5
65.03959	0.2
67.05504	0.5
69.07072	0.7
70.06582	1.1
71.29141	0.2
71.51241	0.2
72.08152	0.3
73.74615	0.1
77.07883	0.1
78.07952	0.1
81.07057	0.6
83.52299	0.1
84.04472	0.3
84.08135	0.4
86.09708	7.8
87.06386	0.1
91.05474	0.9
93.06493	0.2
93.07054	2.0
95.08604	0.5
97.06538	0.1
97.39465	0.1
98.97606	0.2
103.05471	5.0
103.06150	0.3
105.03392	0.6
105.07030	0.4
109.10172	0.2
109.97625	0.1
112.07621	0.3
117.03396	0.2
118.06583	0.1
119.04962	0.1
120.01156	0.5
120.08105	100.0
121.02883	0.9
121.08453	0.2
129.10249	0.2
130.08641	0.1
132.08061	0.2
132.10199	3.3
133.06506	0.2
145.02823	0.3
149.02342	17.8
161.06017	0.3
167.03413	0.2
177.05504	0.5
177.65366	0.1
181.05031	0.3
205.08733	0.2
221.08072	0.5
233.16486	3.0
239.03670	0.2
245.73988	0.1
247.74716	0.1
251.10460	0.1
269.49704	0.1
279.08414	0.8
279.13757	0.3
279.17035	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	279.134
Annotation	Prolyl-tyrosine
Peak:m/z	Relative Intensity
55.01867	0.6
55.05514	1.1
56.05037	3.2
56.96563	1.7
57.07080	13.3
60.04527	0.6
65.03939	2.0
65.29328	0.5
67.05502	1.6
68.05013	0.9
69.03440	1.1
69.07059	0.6
70.06595	45.7
70.08061	1.9
72.08145	2.4
73.70728	0.5
74.06084	3.3
75.33965	0.5
79.05498	2.0
81.03461	0.5
81.07051	2.4
83.04993	0.6
84.04504	3.3
84.08156	4.3
85.02890	1.4
86.09709	2.8
91.05486	27.4
93.03394	0.8
93.07057	1.3
94.06576	0.9
95.08590	1.0
97.02866	1.7
97.06561	0.7
98.06071	0.6
98.97585	9.9
105.91239	0.5
107.04949	1.3
109.06512	1.2
110.07160	1.8
110.97567	2.0
113.10731	0.9
114.05543	3.5
116.07096	85.4
116.98640	2.8
118.06520	1.0
119.04113	1.2
119.04945	18.5
120.08101	2.6
121.02877	4.3
121.06517	2.6
122.06036	1.3
124.07574	1.3
125.05984	0.6
128.07111	0.7
128.98637	1.3
129.10258	1.5
130.08630	1.4
134.99710	0.8
136.07584	97.4
137.05952	1.1
139.07542	0.7
140.89886	0.5
141.10252	2.1
146.05946	0.5
147.04381	5.4
149.02348	100.0
150.05504	1.7
152.07118	0.9
158.99649	5.4
162.09143	6.7
163.03983	0.6
165.09081	0.7
167.03400	1.5
169.13441	1.4
170.99699	0.7
173.09502	1.0
176.10689	0.9
177.00737	4.1
177.05434	0.9
189.00746	1.7
191.11839	5.0
200.07132	0.7
205.08653	1.5
205.13356	2.9
206.47865	0.5
207.01639	0.7
215.10748	0.6
215.13908	3.3
219.01721	1.2
220.09807	0.6
221.78502	0.6
222.11208	2.7
233.13074	1.5
234.11279	1.5
237.02838	1.1
248.91388	0.6
251.13919	9.3
251.16347	0.8
261.07401	0.7
262.10760	3.4
279.08640	0.8
279.13416	27.9
279.23340	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2115
Annotation	Stenine
Peak:m/z	Relative Intensity
53.57000	0.4
55.05500	0.7
57.07070	2.3
67.05497	0.7
69.07064	0.8
71.08608	0.5
71.51902	0.7
75.41392	0.4
79.09318	0.4
81.07080	0.7
90.79180	0.5
91.05474	1.8
95.04959	0.4
103.05468	11.9
105.06999	0.7
107.08560	0.4
115.05455	1.3
117.06230	0.8
117.07021	10.1
121.06506	0.7
123.04440	4.5
131.04930	35.4
131.08578	2.4
133.06519	0.8
135.08035	0.6
137.05972	7.1
142.15884	0.5
144.05710	0.5
145.06483	21.1
149.02345	2.6
149.05981	100.0
151.07590	2.8
151.08649	0.6
153.70566	0.4
159.08066	3.7
162.06757	0.8
163.07544	39.8
173.09624	0.7
177.09122	5.7
261.18509	34.8
277.64813	0.4
278.21149	90.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05038	3.7
56.96556	0.4
57.05835	0.2
57.07077	3.0
58.06602	6.0
60.04525	1.7
62.06101	0.2
67.05487	0.2
68.05027	0.4
69.07075	0.5
70.06595	0.7
71.08632	2.1
72.08155	2.0
73.08530	0.2
74.06075	3.4
74.24470	0.2
75.04480	0.3
79.05502	0.3
81.07056	0.4
83.42793	0.2
84.08157	0.3
86.06073	3.9
87.04450	0.3
88.07632	25.7
89.06037	0.6
90.05591	0.3
91.05479	0.2
93.07048	0.6
94.07376	0.2
96.08221	0.2
98.20731	0.4
98.97593	0.6
100.07623	1.2
102.09195	0.4
104.07096	3.4
107.08610	0.4
118.08662	1.1
132.10201	6.9
142.15891	0.2
145.02850	0.4
149.02385	1.3
154.15912	0.7
156.17606	0.2
158.15416	0.2
162.11290	1.8
166.10762	2.8
172.16980	0.4
174.04257	0.3
177.05516	0.8
186.18530	33.0
192.05412	0.4
198.18503	0.7
212.25763	0.2
225.42624	0.2
230.21149	12.6
234.06508	0.5
235.06938	0.4
245.95485	0.2
257.11368	0.2
260.22278	1.0
278.09525	1.0
278.23264	100.0
279.23526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1391
Annotation	3alpha-Phenylacetoxy-6beta,7beta-dihydroxynortropane
Peak:m/z	Relative Intensity
50.18043	0.1
52.36514	0.1
53.95148	0.1
55.05504	0.3
56.96566	0.5
67.05492	0.2
69.03421	0.3
69.07077	0.2
69.37793	0.5
69.38215	0.6
70.06597	1.4
71.04984	0.4
72.08154	0.4
77.03948	0.2
79.05496	0.6
81.07052	0.6
84.04494	0.2
84.08144	0.6
86.09701	0.7
91.05479	0.6
94.04203	1.1
94.06592	0.2
94.61787	0.1
95.04984	0.2
95.08620	0.2
96.08132	0.6
97.02899	0.2
98.97597	0.8
103.05494	0.2
105.07063	0.3
106.06496	0.2
110.07167	0.2
120.08118	0.4
122.02762	0.2
122.03656	4.6
123.06805	0.3
124.07599	6.4
124.08508	0.4
129.10226	0.3
133.10138	0.3
136.07581	0.4
137.05986	100.0
138.06316	0.4
141.07906	0.2
142.08649	7.6
145.02873	0.4
149.02336	0.8
162.05528	0.2
173.01170	0.3
175.06253	0.5
177.05493	0.4
192.06558	0.3
219.02007	0.2
232.09753	0.3
232.13297	0.9
260.09311	0.5
260.12851	3.9
278.13879	34.2
279.11267	0.3
295.79111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03710	1.4
53.03946	16.2
55.01879	8.1
55.05512	29.2
57.03421	2.8
57.07077	9.0
65.03932	2.1
67.05506	65.0
69.03419	2.3
69.07068	41.1
71.04978	4.0
71.08620	8.7
71.52375	1.0
79.05493	51.8
80.26555	1.1
81.03420	67.9
81.07058	62.0
83.04986	17.3
83.08623	8.8
85.06519	3.1
85.10175	3.4
91.05481	30.9
93.07047	57.3
95.04972	45.0
95.08607	27.8
97.06517	3.5
97.10164	4.6
99.08096	7.7
105.07029	27.6
107.04939	1.8
107.07884	1.9
107.08598	36.2
107.94563	1.0
109.06519	12.1
109.10158	17.8
110.72990	1.1
111.08049	3.9
113.09658	2.2
115.05370	1.0
117.06998	4.8
119.08580	16.0
121.06500	3.5
121.09342	1.4
121.10152	17.6
123.08071	4.2
123.11700	6.3
125.09642	8.3
129.06979	2.6
131.08563	7.3
133.06488	1.4
133.10138	19.5
135.08066	5.6
135.11682	13.0
137.05963	2.3
137.09608	2.4
137.13246	1.9
143.08562	3.2
145.10141	5.4
147.08165	1.1
147.11682	18.4
149.09616	2.0
149.13258	8.9
151.11186	43.3
153.09062	2.4
153.12822	1.4
157.10069	3.2
159.11646	2.4
161.09599	2.0
161.13272	11.5
163.11240	2.1
163.14813	4.9
165.09193	1.7
165.12755	15.0
171.10286	2.5
171.11700	5.5
173.11803	1.7
173.13239	2.2
175.11203	3.5
175.14873	7.5
177.12720	3.8
177.16345	1.7
179.10678	1.8
179.14297	5.8
181.12294	1.7
182.43472	1.1
185.13280	3.0
189.12752	3.2
199.14832	1.4
207.13771	5.6
217.19536	3.1
221.15369	2.3
231.17499	2.1
231.21066	10.8
235.16888	3.9
241.19580	6.2
249.22227	6.8
249.24483	1.5
259.20554	11.0
277.08804	1.9
277.18506	3.5
277.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.59503	1.4
52.78244	1.1
53.03954	5.9
55.01841	1.6
55.05513	19.3
57.07078	2.9
58.12679	1.2
65.03931	1.7
67.05510	30.4
69.07065	14.2
69.79800	1.0
71.04996	2.8
71.45471	2.5
77.03944	1.2
79.05498	71.1
81.06592	2.0
81.07058	32.5
81.07529	2.1
83.04977	1.9
83.08627	8.1
85.06546	1.7
91.05489	28.7
93.07050	100.0
95.04959	4.3
95.08614	23.3
97.06514	1.8
97.10157	4.8
105.04504	1.4
105.07037	14.9
107.08598	49.9
109.06537	2.2
109.10156	13.5
117.07047	2.5
119.08585	10.4
121.10149	44.5
121.27804	1.0
123.08074	1.6
123.11696	3.3
129.06993	2.7
131.08562	2.7
133.10138	13.1
135.11702	52.5
143.08577	2.0
143.74751	1.2
145.10136	3.9
147.11708	5.9
149.13266	20.4
157.10110	1.4
159.11700	3.5
161.09717	1.3
161.13261	4.1
163.14796	5.7
171.11658	2.2
173.13266	2.4
175.14796	2.4
181.01688	1.4
185.13234	1.8
195.13841	1.6
199.14842	2.0
203.14288	1.1
207.13828	1.6
213.16301	1.5
217.15976	1.3
221.15399	4.4
231.17549	1.2
235.16953	4.3
241.19702	1.6
259.20618	4.8
277.21640	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	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.12846	0.7
53.03944	4.2
53.76337	0.6
55.01867	2.2
55.05511	15.6
57.03440	2.1
57.07076	3.5
65.03914	1.5
67.05508	40.0
69.03406	1.3
69.07072	15.0
70.17760	0.9
70.81465	1.3
71.04996	2.0
71.08636	28.4
77.03918	0.8
79.05497	54.4
81.03438	4.8
81.07061	54.1
83.04984	5.1
83.08615	9.0
85.06544	1.8
88.14405	0.8
91.04908	1.2
91.05488	27.0
93.07048	85.1
95.04987	9.0
95.08612	38.5
97.06519	4.7
97.10184	3.6
99.08099	21.4
105.04486	2.1
105.07037	17.1
107.04977	4.3
107.08599	49.2
109.06512	3.4
109.10155	11.3
111.08079	2.2
111.50002	0.7
113.09638	2.1
117.07048	3.8
119.08587	12.0
121.06506	1.6
121.10151	43.8
123.08027	2.2
123.11698	2.0
125.09660	1.3
129.06984	1.6
131.08556	5.4
133.10147	10.0
135.08072	1.5
135.11700	52.0
137.09608	3.3
139.11174	1.1
141.09088	2.2
143.08537	2.2
145.10153	5.6
147.11699	5.7
148.49367	0.7
148.61351	0.7
149.09634	1.6
149.13266	16.5
151.11194	10.6
153.12769	1.0
157.04970	0.8
157.10123	1.7
159.11700	3.9
161.13240	9.0
163.11192	4.8
163.14818	4.1
167.10699	2.5
168.05797	0.7
171.11707	2.7
173.13266	2.5
175.11232	0.8
175.14876	2.1
177.12738	3.2
179.10718	2.3
179.14320	40.5
181.12209	1.0
185.13315	3.8
187.14861	0.8
189.12718	2.4
194.39752	0.7
195.13791	2.5
203.14275	1.2
207.13773	1.2
209.15269	1.3
213.16415	0.9
217.89738	0.8
221.15347	4.5
231.21181	1.0
235.16930	7.1
241.19489	2.8
249.22346	0.8
258.37683	1.0
259.20493	5.7
277.18466	4.4
277.21634	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03939	4.5
54.44150	1.0
55.05513	15.2
57.07076	2.8
65.03940	1.5
67.05511	34.8
69.03441	1.1
69.07072	14.6
71.05002	1.3
71.45074	2.4
78.41218	1.5
79.05499	70.8
81.06591	2.0
81.07063	35.4
83.04963	2.0
83.08631	7.4
85.06513	1.6
88.91026	1.3
89.50195	1.0
89.80213	1.0
91.05482	25.2
93.07050	100.0
95.04971	4.5
95.08610	20.5
97.10159	5.4
105.04510	2.1
105.07039	13.3
107.08601	46.7
109.06496	2.0
109.10164	13.7
117.07031	3.6
119.08581	9.3
121.10159	35.6
123.11694	2.7
127.07594	1.2
129.06981	2.0
131.08588	2.9
133.10167	12.5
135.08037	1.7
135.11707	58.9
137.09663	1.4
143.08652	1.3
145.10161	4.2
147.11676	7.4
148.82523	1.2
149.13258	24.7
157.10100	1.5
159.11676	3.1
161.13278	3.7
163.14833	4.0
171.11710	3.1
175.14880	2.0
181.12254	1.6
195.13817	2.3
199.14891	1.3
207.13887	2.1
213.16452	3.1
221.15356	2.7
235.16934	4.0
241.19504	1.8
259.20624	4.9
277.21646	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.17340	0.5
53.03945	2.9
55.01601	0.5
55.01871	11.7
55.05515	18.0
56.96553	0.6
57.03426	1.6
57.07080	5.0
59.05002	0.6
60.71254	0.4
65.03931	1.3
67.05508	31.4
69.03413	1.6
69.07072	14.2
69.47727	0.5
70.63104	0.7
70.63446	1.1
71.04985	2.6
71.08633	14.5
77.03899	0.7
79.05496	36.7
81.03424	4.2
81.07058	35.3
83.04981	5.3
83.08144	0.8
83.08615	9.5
85.06528	2.1
85.10172	1.9
91.05482	23.3
91.86475	0.5
93.07047	50.0
95.04971	8.0
95.08611	23.1
95.09141	0.4
95.09239	0.6
97.06538	6.6
97.10166	3.7
99.08101	13.1
104.00253	0.5
105.04543	0.9
105.06312	0.7
105.07034	17.7
107.04973	2.3
107.08591	24.9
109.06509	4.2
109.09480	0.7
109.10160	10.8
111.08083	11.6
113.05915	0.5
113.09638	2.2
115.05353	0.5
117.07033	4.7
119.08579	11.1
121.06512	2.8
121.10144	16.4
123.08054	3.4
123.11715	3.9
125.09616	1.8
127.11205	0.5
128.06233	0.5
129.06993	2.4
131.08586	5.3
133.06467	0.6
133.10136	11.7
135.08054	1.9
135.11691	16.4
137.09613	2.4
137.13248	1.8
139.11169	1.9
141.12752	3.1
141.92366	0.5
143.08536	3.1
145.10130	6.6
147.08093	1.2
147.11690	11.4
149.02361	1.7
149.09608	2.3
149.13255	11.0
151.11197	9.4
153.12747	1.1
157.10168	3.6
159.11690	2.4
161.09644	2.0
161.13246	8.9
163.11191	10.9
163.14828	4.8
165.12737	6.7
167.14384	0.9
169.12181	0.8
171.11697	3.8
173.13223	2.2
175.11203	2.5
175.14832	3.9
177.12737	1.2
177.16351	1.2
179.10783	0.6
179.14333	4.2
181.12221	1.3
185.13269	3.0
187.14803	0.9
189.12746	1.9
191.14310	1.0
193.12234	1.4
193.15871	1.1
195.13872	1.2
199.14833	2.1
203.14301	1.1
207.13832	3.1
213.08057	0.6
215.17802	0.7
217.15976	0.7
217.19511	2.1
221.15414	3.6
231.17445	0.8
231.21106	2.5
235.16948	2.4
241.19531	6.1
249.22208	3.2
259.20572	11.5
277.21625	100.0
278.22046	0.7
295.22968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0708
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
55.05516	0.5
55.44593	0.4
56.05026	0.7
56.96563	0.3
57.11736	0.3
60.04515	0.5
67.01865	0.8
67.25212	0.2
69.03433	1.9
69.07055	0.7
69.77110	1.5
70.06593	4.8
71.01356	11.8
72.08150	1.8
79.05504	0.5
81.03414	0.4
84.04519	1.0
84.08163	2.8
85.02904	0.5
85.04861	0.2
86.09712	2.9
88.04014	0.3
91.05484	2.8
93.07006	0.5
98.06009	0.5
98.97581	0.7
99.00827	0.6
100.07618	0.3
102.05549	0.5
107.04955	0.8
110.07160	1.4
111.04362	0.3
113.02386	2.9
114.05540	0.7
114.10278	1.0
115.05457	0.9
115.08729	0.6
116.07082	0.9
116.39354	0.2
118.06536	0.7
119.04949	2.7
120.04585	0.3
120.08092	1.7
120.62567	0.2
128.06213	2.8
128.07059	0.5
129.07011	6.2
129.10231	1.2
130.04935	0.3
132.08034	0.3
136.07585	1.0
137.05946	0.7
141.07007	0.4
144.08043	0.4
145.02853	1.1
146.05986	1.7
147.04407	8.4
147.15935	0.3
151.07491	0.4
157.06503	5.7
161.05988	0.4
163.03917	0.6
166.08618	0.3
171.04425	1.1
173.05971	0.3
177.05440	0.4
182.06020	1.2
184.05217	0.4
185.05995	6.6
188.07043	2.0
195.05579	0.5
203.07086	0.6
213.05472	77.9
214.05864	0.4
217.13435	0.4
218.11774	0.6
218.82936	0.3
231.06526	100.0
232.06769	0.6
235.16949	0.5
241.05058	0.5
259.05997	2.1
259.08673	0.3
259.12970	0.5
260.09146	0.6
260.13937	0.6
272.38995	0.3
277.07068	24.8
277.16592	3.9
277.21201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19460	0.2
56.05038	2.0
57.07069	0.7
60.04575	0.2
69.03424	0.3
69.97091	0.7
69.97496	0.3
70.06581	0.6
71.58957	0.2
77.03902	0.4
79.05499	0.5
82.72428	0.3
84.04505	42.2
84.08163	0.3
84.88185	0.2
85.02882	0.4
86.09689	0.7
91.05475	0.9
93.07056	0.8
97.02909	0.2
98.20823	0.3
103.05463	3.0
107.04939	1.1
111.04461	0.3
119.07310	0.3
120.08105	100.0
121.08405	0.3
128.06242	0.3
129.06964	0.3
130.70793	0.2
131.04947	1.8
135.29741	0.3
136.07602	0.5
137.05994	1.6
147.04359	0.5
148.07555	0.3
149.06041	1.3
151.07530	1.3
153.06996	0.2
157.06557	0.4
166.08643	38.8
174.06721	0.3
175.06035	0.4
175.07445	0.4
177.05482	0.3
181.06590	0.2
186.09149	4.2
189.07249	0.3
189.09183	0.7
199.07564	0.3
203.11903	0.4
206.07288	0.3
227.07100	0.7
231.11292	24.6
234.06621	0.5
234.60353	0.3
244.07161	0.3
249.09225	0.4
254.02562	0.3
259.10114	1.2
277.08749	0.7
277.11868	9.2
277.15106	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03939	0.9
55.01868	8.6
55.05513	4.5
57.07066	1.4
59.80768	0.3
67.05509	6.5
68.90359	0.3
69.03412	0.3
69.07066	3.7
70.06587	1.0
71.04993	0.3
71.06934	0.4
71.08631	1.3
74.20528	0.3
79.05498	9.2
81.07063	35.2
83.04986	2.0
83.08652	1.6
85.06542	0.5
88.07625	0.6
89.07970	0.4
91.05482	3.6
91.53002	0.4
93.07050	6.3
95.08611	6.4
97.06561	0.9
97.10185	0.5
99.08093	0.7
105.07034	3.6
107.08586	4.7
109.06526	13.4
109.07275	0.6
109.10166	2.6
111.04452	11.1
111.08118	0.4
117.07016	0.5
119.08594	5.2
121.06521	0.3
121.10141	5.0
123.08044	1.7
123.11702	1.2
124.05266	0.4
125.06001	3.8
129.07014	0.6
131.08582	2.1
133.10136	3.4
135.08072	2.2
135.11703	4.9
137.05986	100.0
137.13248	1.3
139.07539	0.7
139.11133	0.4
143.08601	1.1
145.10167	1.6
147.08080	1.0
147.11697	4.8
149.09644	3.0
149.13271	2.1
151.07530	2.0
151.11226	0.6
157.10123	1.4
159.11691	1.1
161.09637	3.7
161.13275	2.0
163.11185	2.7
163.14848	0.9
165.09142	2.2
165.12726	0.5
167.10713	0.8
171.11754	0.9
173.13260	0.7
175.11209	4.2
175.14803	1.0
177.12738	0.4
179.10701	2.1
181.12303	0.5
185.13280	0.6
189.12801	1.0
193.12288	1.3
203.14365	0.3
203.17934	5.2
207.13904	0.5
213.16356	2.1
221.15405	0.5
221.18997	1.7
223.14760	0.4
229.35158	0.4
231.17444	8.2
241.15833	1.3
249.18550	4.3
259.20407	0.5
259.27051	0.4
277.14929	0.7
277.18015	11.4
277.21603	5.0
277.28308	10.3
295.18982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02815	6.8
71.01727	13.9
71.02052	7.6
82.89868	6.4
94.93059	6.9
101.00875	29.4
116.04739	50.1
118.08654	100.0
119.01936	24.8
131.01918	9.1
140.06845	19.8
143.01906	21.2
145.03448	13.1
153.72427	6.9
155.01933	13.5
157.03499	18.4
158.04039	11.4
160.03699	79.3
161.02979	32.6
173.02962	13.6
175.04393	8.2
185.02957	10.8
245.05093	28.3
258.91769	9.7
276.92670	10.1
277.03275	67.1
277.08655	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14734	6.4
66.67208	7.0
70.06577	13.6
70.30229	18.3
84.04498	21.6
84.08157	32.5
97.02872	9.3
101.00891	60.1
103.00634	6.6
107.79916	6.3
113.00854	15.0
114.05563	8.2
115.02485	8.6
118.08662	72.7
119.01920	70.8
121.01653	39.8
127.02363	7.4
130.04993	8.4
131.01892	27.3
133.03441	14.3
143.01892	58.3
145.03430	30.3
147.03192	12.3
148.06107	8.6
155.01866	23.5
157.03487	21.0
161.02965	96.0
166.96838	6.6
173.02995	41.4
175.04565	18.5
185.02902	19.0
187.04483	17.8
189.04298	10.7
197.03091	8.6
203.03873	11.6
205.05492	9.0
215.04079	11.2
217.01863	19.6
235.03142	8.1
245.05077	27.8
277.03598	44.0
277.08557	100.0
277.17719	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02362	0.4
53.03943	0.9
55.01864	1.1
55.05515	10.8
56.73444	0.4
56.96564	1.3
57.03429	1.0
57.07061	1.6
60.74852	0.5
62.60241	0.4
63.02365	0.5
65.03926	1.1
67.05509	14.6
69.03426	0.7
69.07072	7.7
70.06589	2.3
70.10162	1.5
71.04983	1.9
71.08617	0.8
73.06548	0.5
79.05497	13.1
81.03424	0.6
81.07057	14.9
83.04973	1.5
83.08624	5.6
83.13698	0.6
85.06554	1.2
85.22904	0.4
88.07646	3.0
89.07936	0.8
91.05484	35.7
93.07049	13.5
93.98939	0.6
95.04962	1.6
95.08608	11.4
97.06529	1.5
97.10159	1.6
102.09139	0.6
102.99462	1.5
103.05466	1.3
104.06242	0.5
105.03431	0.5
105.07035	53.9
106.08665	1.7
107.00735	0.5
107.04956	2.1
107.08588	10.8
109.06525	1.5
109.10162	4.3
111.08076	1.2
111.99973	6.7
117.07023	10.1
119.00128	0.5
119.08587	28.2
119.68680	0.5
121.00485	6.5
121.06496	1.8
121.10139	5.0
123.08079	1.3
123.11684	0.6
123.50803	1.1
125.09623	1.1
129.07021	2.3
131.08577	13.7
132.09331	0.7
132.51254	0.6
133.06557	0.6
133.10135	37.9
134.01234	2.6
135.08052	2.3
135.11693	2.7
137.09587	1.0
141.07008	1.1
143.00179	0.5
143.01761	2.6
143.08563	1.8
145.10124	14.8
146.10873	0.7
147.08026	1.1
147.11694	20.8
149.02309	1.0
149.09625	3.6
149.13249	0.6
151.11198	0.5
153.99997	0.5
155.08524	1.5
157.10159	2.6
159.11681	7.2
161.09596	1.3
161.13266	4.5
163.00491	2.0
163.11127	2.5
165.09102	0.6
167.10728	0.5
167.99669	6.8
168.49846	0.5
169.10114	1.2
171.11693	2.9
172.01074	0.5
173.13277	4.0
175.11191	1.2
175.14758	0.5
177.00229	4.9
177.12764	1.1
183.11790	2.3
185.13268	1.1
187.11235	0.5
187.14865	0.7
197.13280	2.5
199.01607	1.1
201.12787	0.7
201.16301	0.7
208.02034	4.0
211.14745	1.2
215.14333	0.5
215.17882	0.9
217.02597	4.5
217.52806	1.3
219.13824	1.0
219.52783	0.7
228.53436	0.8
229.19620	0.8
233.15440	1.1
239.17917	3.7
240.71776	0.5
243.04138	1.3
247.16904	0.5
247.20520	0.6
252.04686	7.1
252.54851	1.4
257.19022	9.0
257.26685	1.7
261.05231	3.0
263.55420	2.1
264.05646	0.5
272.55936	0.5
275.20071	100.0
275.27756	31.3
288.54425	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.24619	0.4
53.03944	1.2
55.01868	1.7
55.05271	0.6
55.05516	8.6
56.96562	0.8
57.03436	0.6
57.07070	1.1
65.03935	1.0
67.05511	12.1
69.03447	0.6
69.07072	7.6
69.18410	3.9
70.69680	0.4
71.04990	1.7
71.08644	0.4
75.21373	0.4
79.05503	12.8
81.03427	0.5
81.06592	0.7
81.07066	12.8
83.04981	1.6
83.05420	0.4
83.08617	3.9
84.08138	0.5
85.06535	0.9
88.07661	0.6
91.05491	30.4
93.06488	0.7
93.07053	12.0
95.04963	1.8
95.08615	9.5
97.06542	1.3
97.10171	1.6
98.20805	0.9
98.97567	0.7
103.05466	1.2
105.07041	42.8
107.04959	1.3
107.08598	8.4
109.06517	1.8
109.10143	3.6
111.08102	1.2
115.05484	0.9
116.03621	0.4
117.07026	6.8
119.08591	29.4
121.06503	1.7
121.10151	4.3
123.08062	1.0
123.11678	0.9
125.09618	0.6
129.07008	1.6
131.08575	10.4
132.09373	0.6
133.10146	24.8
135.08089	2.2
135.11694	1.9
137.09639	1.2
139.22954	0.5
141.07013	1.0
143.08569	2.6
145.10133	10.6
147.08075	0.8
147.11699	15.5
149.09666	3.0
149.13240	0.7
150.74744	0.5
151.11221	0.6
155.08595	1.0
157.10172	2.7
159.11697	7.7
161.09627	1.0
161.13275	5.4
163.11255	2.5
169.10136	1.7
171.11710	2.5
173.13239	4.1
175.14893	1.2
177.12877	0.8
183.11763	1.6
185.13274	1.1
187.11194	1.2
187.14864	0.9
189.12758	0.5
194.95775	0.4
197.13246	1.7
201.12750	0.7
203.14299	0.8
205.12418	0.7
211.14896	0.6
213.16339	0.5
215.14368	0.7
229.15964	0.5
229.19533	2.1
233.15399	1.2
239.17967	2.8
247.16814	0.7
247.20572	1.4
257.19006	6.5
262.08099	0.4
275.20084	100.0
275.27798	1.9
276.20383	0.8
294.84622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02380	0.6
52.24579	0.4
53.00288	0.5
53.03933	1.4
55.01877	3.1
55.05514	10.9
56.96574	0.4
57.03431	0.9
57.07064	0.7
59.05008	0.4
65.03934	1.1
67.05508	15.3
69.03418	1.0
69.07068	8.5
70.06593	0.6
70.19009	1.0
70.19399	0.9
71.04987	1.8
73.06540	0.6
76.14918	0.4
79.05495	17.2
81.03406	0.9
81.07058	20.2
83.04985	2.5
83.08617	4.9
84.08135	1.0
84.61246	0.4
85.06533	1.0
91.05486	29.0
93.07047	17.0
93.07642	0.7
95.04967	2.8
95.07979	0.7
95.08608	11.3
97.06527	2.6
97.10171	1.7
98.97588	1.1
103.05470	1.2
105.07034	43.8
107.04951	2.5
107.08595	13.1
109.06535	3.1
109.10159	5.5
109.11924	0.4
111.08066	1.7
113.06037	0.4
115.05458	0.9
117.07023	7.4
119.08584	27.4
121.06512	2.6
121.09321	0.7
121.10146	7.6
123.08095	2.4
123.11696	1.6
125.09623	1.4
128.06221	0.5
129.07034	2.3
131.08566	12.0
133.06493	1.2
133.10135	29.1
135.08075	3.3
135.11700	3.4
137.09613	2.6
139.11157	0.8
141.06998	0.9
143.08559	2.2
145.10130	12.3
147.08052	1.5
147.11687	17.0
149.09618	5.5
149.13269	1.7
151.11168	1.7
155.08574	1.5
157.10078	2.6
159.08046	0.6
159.11710	8.4
161.09619	1.6
161.13269	5.1
163.11198	3.3
163.14851	0.5
165.12756	1.3
167.10683	0.6
169.10146	1.6
171.11652	2.8
173.09642	0.8
173.13254	4.2
175.11192	1.8
175.14870	1.0
177.12752	1.3
179.68079	0.4
181.12204	0.5
183.11682	2.0
185.13278	0.8
187.11198	1.2
187.14825	1.0
193.12277	0.8
197.13141	2.2
199.14784	0.6
201.12801	1.4
207.13809	0.4
211.14851	0.6
215.17986	3.3
217.15904	0.9
219.13869	1.2
226.35320	0.4
229.15955	0.7
229.19513	3.0
232.03671	0.6
233.15273	0.7
233.19029	0.9
239.17992	5.4
247.20663	2.1
257.16074	0.7
257.19019	10.1
275.05399	1.2
275.20071	100.0
276.20514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.7
55.01866	1.7
55.05511	8.5
56.96561	0.7
56.97061	0.5
57.03439	4.4
57.07073	1.1
65.03946	1.0
67.05506	10.7
69.07073	6.8
70.06573	0.9
71.04989	1.1
77.84007	0.8
79.05494	12.3
81.03388	0.6
81.06593	0.9
81.07054	12.4
83.04974	1.9
83.08630	4.8
84.08140	0.7
85.06547	1.3
90.30311	0.5
91.05484	31.1
93.07042	12.8
95.04958	1.7
95.08611	11.5
97.06516	1.5
97.10147	1.0
98.97585	0.7
103.05504	1.5
104.06239	0.6
105.07034	38.9
107.04959	1.0
107.08601	8.2
109.06532	3.7
109.10165	3.7
111.08069	1.6
115.05415	0.7
117.07016	8.2
119.04840	0.5
119.08582	32.0
121.06492	1.5
121.10148	5.3
123.08072	1.3
123.11673	1.1
125.09711	0.7
129.06963	2.9
130.07875	0.8
131.05006	0.5
131.08569	10.8
133.10132	22.7
135.08035	2.3
135.11748	2.6
137.05972	1.2
137.09631	1.2
139.11211	0.6
141.06973	1.0
142.07794	1.0
143.08543	3.1
145.10136	11.6
145.11241	0.4
146.10948	0.7
147.08041	1.3
147.11690	18.5
149.09644	2.6
149.13283	1.3
155.08501	1.4
157.10121	3.8
159.11690	12.6
161.09656	1.9
161.13240	6.3
163.11136	2.0
169.10143	1.6
171.11705	2.5
173.13277	5.7
175.11217	1.0
175.14911	0.7
177.12714	0.9
183.11685	2.2
185.13235	5.9
187.11188	0.8
189.12808	1.0
197.13283	1.7
201.12781	0.9
201.16357	1.5
203.14296	4.8
215.14241	0.8
219.17494	2.4
222.21707	0.6
229.19556	3.7
233.15486	0.7
239.17955	4.4
257.18991	10.6
275.20065	100.0
276.20325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78483	0.2
52.82665	0.2
53.07523	0.2
56.33834	0.2
69.80284	1.0
71.09199	0.2
74.09719	2.5
89.42095	0.2
94.78547	0.2
96.96911	0.8
112.05275	2.8
124.54018	0.2
130.06316	2.6
136.99062	0.2
142.83623	0.2
143.01851	0.2
144.39883	0.2
151.79214	0.2
156.04219	100.0
203.03961	0.2
273.12228	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	274.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	0.9
56.96573	0.9
59.63711	0.8
60.05666	1.8
69.07076	1.6
70.06599	11.6
71.50695	0.9
71.51067	1.3
72.08160	13.0
82.41904	0.7
82.99859	2.3
84.04511	1.1
84.08138	2.2
86.09713	38.6
89.96601	0.8
95.92874	0.9
97.06522	4.1
97.78309	0.7
98.97570	1.1
101.00897	16.7
112.08758	1.7
114.10239	0.7
116.07095	4.0
118.03512	2.7
119.01929	27.1
129.10220	1.0
131.01917	1.6
137.02968	3.4
137.06007	1.0
142.09775	1.0
143.01999	0.8
144.05087	1.1
154.03464	1.4
155.05615	1.0
155.89001	0.7
158.09222	0.9
162.09843	0.8
168.08694	6.1
171.14912	1.7
172.04541	1.4
173.02966	1.2
175.11969	4.9
186.09778	35.3
196.08226	1.9
197.06677	1.8
199.14398	1.1
204.10858	5.4
214.09259	49.6
215.07648	2.4
215.09567	1.0
232.10320	100.0
233.10596	1.6
251.07767	1.2
255.11909	1.4
257.08145	1.0
274.10733	2.7
274.18759	10.7
291.98230	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03433	2.1
60.01358	0.5
61.02918	1.5
69.03433	5.5
70.06595	4.2
71.04988	0.9
71.06936	1.1
71.51362	0.7
72.08142	1.3
73.02924	5.3
74.09728	2.3
81.03423	1.9
82.99839	0.6
84.08154	1.5
85.02910	14.7
87.04469	0.7
91.03936	1.0
97.02908	5.9
98.03541	0.6
99.04452	1.6
101.00890	3.5
102.02384	0.7
105.00362	0.5
105.28484	0.4
108.34331	0.5
109.02909	1.2
111.02962	0.8
112.05283	1.7
113.00864	1.2
115.02526	0.4
116.07106	1.4
117.02879	0.5
118.08648	1.2
119.01935	2.3
123.02929	1.1
127.02436	0.7
127.03941	5.3
129.02876	0.6
129.10254	0.6
130.06332	2.7
131.01936	1.6
132.03461	0.8
135.02968	0.7
138.03427	0.7
143.01909	11.3
144.02014	0.7
144.03384	0.9
144.10214	2.0
145.03488	1.5
145.04971	2.7
147.03938	1.1
152.07092	0.4
153.03983	2.1
155.01878	5.3
156.04227	100.0
157.03474	1.2
158.05692	0.6
161.02983	8.6
161.05508	0.7
162.04527	0.8
165.04042	0.6
167.01865	1.5
173.02975	6.4
174.04462	3.1
174.54646	0.8
177.04990	0.7
183.05057	9.2
183.54895	0.6
184.04639	0.6
185.02995	3.1
187.04533	0.9
191.04016	0.8
192.05544	5.4
192.55777	0.6
197.02977	0.7
201.06157	0.6
203.04021	7.8
213.00066	0.7
215.03981	0.6
221.05103	1.2
227.03940	0.6
231.03571	1.0
233.05104	1.5
245.05099	3.3
257.05280	0.6
263.06177	5.5
273.02130	0.7
273.12067	1.5
275.06171	1.2
293.07312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87796	0.3
55.05512	1.2
55.07782	0.4
56.05037	0.8
56.96560	0.7
60.04514	0.5
60.05648	1.5
63.20947	0.4
64.97636	0.4
68.69123	0.4
69.03435	0.5
69.06400	0.3
69.07067	0.6
70.06596	100.0
71.01633	0.8
71.06922	0.5
71.63403	0.4
72.08161	9.0
72.98076	0.4
80.75665	0.4
84.04506	1.8
84.08139	4.9
85.02924	0.8
86.09703	5.2
86.10182	0.5
88.03983	0.6
97.02910	0.6
98.97560	1.9
102.05567	0.5
104.07122	0.4
107.04974	1.2
107.84476	0.4
110.06070	0.7
110.07148	2.1
112.08745	1.6
115.08705	0.5
116.07101	12.6
118.08686	0.5
123.04421	0.5
124.03963	0.5
127.08691	33.4
128.07095	0.6
129.10249	2.8
130.05032	1.2
130.08681	0.5
137.06059	0.6
140.08194	0.5
141.10263	2.1
143.00145	0.5
150.03772	0.8
155.08163	24.2
157.09735	0.5
158.09325	0.6
158.99696	0.7
162.05630	0.6
163.03917	0.5
169.09709	2.3
173.09242	6.2
175.11948	2.6
180.10202	0.4
184.02925	0.4
196.04434	0.7
198.02231	0.9
201.12376	6.1
208.04327	0.8
209.12941	0.4
213.09007	0.4
213.12352	0.5
215.13928	8.5
226.05431	1.6
226.15561	1.1
254.04852	0.5
254.15231	0.8
255.10982	0.8
255.13368	0.8
272.05811	2.8
272.09610	2.6
272.16083	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	273.0757
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02390	0.3
54.85710	0.3
55.01866	0.4
55.05505	1.0
57.07066	0.5
58.19283	0.3
65.00266	0.3
67.01859	1.8
67.05502	1.3
67.73109	0.3
68.99786	1.5
69.03422	1.2
69.07095	1.8
71.08608	0.3
71.52010	0.5
79.05495	1.5
81.07061	2.3
83.08628	0.6
84.08154	0.5
91.05480	8.1
93.07046	2.1
95.04991	1.8
95.05502	0.4
95.08601	2.9
96.28049	0.3
97.02891	1.0
98.97585	1.6
105.07043	2.4
107.04960	2.6
107.08589	1.9
109.06516	0.6
109.10156	1.3
111.00830	0.5
111.04398	0.4
115.05494	0.3
116.98617	0.4
117.07020	0.7
119.04946	17.3
119.08578	1.3
121.06503	1.3
121.10147	1.4
123.04417	4.1
123.11703	0.7
129.06969	0.8
131.08551	0.7
133.10109	1.3
135.08058	0.5
135.11699	0.8
142.07794	0.7
143.08553	1.0
145.10178	0.9
147.04410	45.4
147.11679	1.5
149.05980	1.5
149.13266	1.0
151.03972	0.5
151.07576	0.4
152.06200	0.8
153.01826	100.0
153.07004	1.3
157.10170	3.0
158.99649	0.8
161.05849	0.4
161.09579	0.5
161.13214	0.6
163.14842	0.7
169.10136	0.5
171.02898	2.2
171.11693	0.9
173.09607	0.4
173.13232	0.5
175.14749	0.4
177.00620	0.6
179.03378	0.7
181.06468	2.2
189.05464	0.9
189.12752	0.6
189.16483	0.5
197.13351	0.6
199.11035	0.3
203.17953	0.5
209.05977	0.7
211.14806	0.4
213.09134	1.3
213.12732	0.4
213.16388	4.1
231.06552	0.8
241.08559	0.9
255.06355	0.5
255.17418	1.7
273.07568	91.4
273.18481	6.8
273.25754	3.3
274.08002	0.7
290.69949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1284
Annotation	(R)-Norcoclaurine
Peak:m/z	Relative Intensity
51.02379	0.4
53.03948	1.1
55.05504	0.9
56.05040	0.8
56.96560	1.6
57.03436	0.8
57.07063	0.4
60.04523	0.8
60.05635	0.6
61.01132	0.4
61.02914	0.4
65.03936	0.4
67.05502	1.1
69.03436	2.4
69.07067	0.7
70.06598	16.1
70.45879	0.8
70.46252	0.8
71.04989	0.7
71.06937	0.8
72.08157	5.8
74.06073	1.4
79.05481	1.8
81.03427	0.8
84.04519	2.6
84.08147	8.5
85.02911	1.5
85.06554	1.2
86.09711	7.3
87.04495	0.5
87.10017	0.4
88.04008	0.8
89.03910	0.8
90.23627	0.4
91.05481	2.4
93.07092	0.5
95.04985	1.0
95.06089	2.0
97.02895	1.9
98.06041	0.4
98.97562	2.0
102.05544	0.7
103.05459	1.2
105.03423	0.4
105.07039	1.0
106.05009	0.4
106.06563	2.5
106.07183	0.4
107.04959	90.7
110.06048	0.7
110.07174	2.2
112.07485	0.5
112.08761	0.7
112.11283	0.8
115.05468	4.7
116.04998	3.0
116.07084	3.3
116.98621	0.9
117.03371	0.7
117.07034	0.9
119.04980	0.9
120.04435	1.0
120.08107	1.0
121.06520	1.6
122.06010	0.9
123.04435	8.2
129.10255	4.4
130.06552	0.5
131.04910	1.8
132.04478	2.7
133.06502	1.5
134.06020	5.4
135.04404	5.8
136.03899	0.5
137.05963	2.2
141.10205	0.6
142.04982	2.0
143.04926	8.4
143.11801	0.9
144.04460	0.5
145.02847	0.7
145.06502	5.9
146.06018	0.5
147.04367	0.8
149.06003	1.7
150.05501	1.0
153.95190	0.4
155.05995	0.6
157.07610	0.4
158.05901	0.4
158.08026	0.6
158.09286	0.7
158.99646	0.6
161.04646	1.0
161.05983	16.1
161.98195	0.4
162.05513	7.8
162.06775	0.8
163.03885	2.8
164.07077	1.3
165.05371	0.4
166.06412	0.7
173.01434	0.4
173.09302	0.5
175.11925	2.4
178.04913	0.4
180.13551	0.4
181.06546	0.5
182.03680	1.0
183.04375	0.5
191.08546	1.2
194.07278	1.1
198.11320	0.4
199.07590	0.6
209.09570	3.2
213.12424	0.5
216.10190	0.7
218.08087	0.8
219.01608	0.6
220.02785	0.4
220.09808	0.7
222.04391	0.4
222.06850	0.5
226.06308	0.7
226.08636	0.8
226.10812	1.4
229.07411	0.6
237.09172	3.6
240.07787	0.8
244.09782	1.5
248.02225	0.6
254.08180	0.6
255.10178	26.5
257.06821	4.4
266.03336	0.6
270.07620	0.4
271.66055	0.4
272.09210	100.0
272.12799	46.9
272.16943	3.6
273.09424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.5
51.40153	0.4
52.77279	0.4
53.03941	1.8
55.05508	1.3
56.05033	0.9
56.96564	1.7
60.04512	0.9
62.49413	0.5
65.03938	0.5
67.05491	0.5
69.03426	1.2
69.07067	1.3
70.06602	4.5
71.51580	0.7
72.08149	1.9
77.03922	0.6
79.05495	2.2
81.07050	2.0
84.04495	0.9
84.08148	2.9
85.02945	0.9
86.09711	3.9
87.04482	0.7
89.33578	0.6
91.05489	26.4
93.07048	1.3
94.07353	0.5
95.04978	2.2
95.08604	0.7
95.72273	0.4
97.02864	0.6
97.06548	0.7
97.07625	0.5
98.97591	17.0
103.05496	4.2
105.03400	48.0
105.04533	2.1
105.07037	11.8
106.06590	0.6
107.04955	1.9
109.02908	0.8
109.06520	0.7
110.07227	1.1
112.99116	0.7
115.05450	1.9
116.07104	0.7
116.98617	4.3
117.07013	2.1
119.04936	1.2
119.08553	0.8
120.08109	0.5
121.06499	4.1
122.06815	0.6
123.04437	1.7
123.11705	0.6
125.07095	0.7
129.10268	0.9
131.00217	0.9
131.04938	5.8
133.10117	0.6
134.99678	1.0
135.04408	1.6
137.06003	1.3
140.98489	0.5
141.06967	0.8
148.12033	1.1
149.05994	17.3
153.07005	1.5
154.07484	0.5
157.22923	0.5
159.04422	0.9
162.05486	1.6
163.03931	6.3
164.04660	0.8
165.07022	5.5
166.07802	7.7
167.07076	5.6
167.08424	1.1
173.01250	10.3
176.11652	0.5
177.04065	0.9
177.05493	9.3
177.06966	0.5
179.08549	1.7
181.05045	0.9
181.06519	2.9
181.10143	5.8
189.07027	1.3
190.07809	4.0
191.02278	4.6
191.08574	21.2
194.07297	6.8
195.08092	0.7
200.11427	0.7
203.02315	1.0
207.08047	2.1
209.09627	12.6
212.07996	0.8
218.12526	1.6
219.08073	11.9
222.06746	1.8
225.09189	1.0
226.08488	0.6
227.10721	0.9
236.13626	2.2
237.09113	32.8
249.02907	0.9
251.04657	0.8
251.08629	2.1
251.58699	1.1
254.08244	0.9
254.11928	0.7
254.14690	1.7
255.10181	100.0
272.09317	10.6
272.12863	4.3
272.17371	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	2.4
55.05500	3.7
55.82442	0.9
56.05030	3.4
56.96568	6.3
57.01493	1.0
57.03441	7.5
57.87246	0.9
58.99859	1.4
59.05001	1.5
60.04511	2.9
60.05648	7.9
61.02930	6.6
62.52969	0.9
66.79951	1.0
69.03431	26.9
69.07067	1.3
69.77187	3.3
69.77607	1.6
70.02940	2.4
70.06593	100.0
71.04987	3.5
71.06920	1.4
72.08155	24.2
73.02921	12.8
74.06069	3.1
75.04475	0.9
79.05489	1.3
81.03415	6.1
82.06585	1.4
82.99867	1.0
83.04975	1.1
83.06107	2.3
84.04501	8.9
84.08146	25.5
84.96041	2.2
85.02908	29.0
85.06467	1.3
85.07656	1.1
86.06072	1.4
86.09705	20.2
87.04467	9.1
87.10045	1.6
88.03980	2.2
91.03932	1.9
91.05450	2.8
94.06603	1.4
95.06048	1.7
97.01518	1.0
97.02898	29.1
97.07640	1.4
98.03192	1.0
98.06049	4.2
98.97587	8.8
99.04450	3.8
101.00883	10.9
102.05536	2.5
102.88748	1.0
103.03279	1.0
107.04939	3.7
108.02339	1.2
109.02902	4.4
110.06032	2.9
110.07164	17.3
111.02910	0.9
111.07494	1.2
112.07570	3.5
112.08730	12.1
112.99157	1.2
113.00858	2.8
113.07108	1.7
114.01241	0.9
115.02418	2.1
115.03944	8.0
115.08680	4.0
116.07092	28.2
116.98592	3.5
117.02906	1.7
118.08605	1.0
118.94005	0.9
119.01926	11.0
119.04930	3.8
121.03202	1.6
122.03677	1.6
123.02947	2.1
123.04435	3.2
124.99088	1.7
125.07045	1.2
127.02393	3.3
127.03976	6.9
127.08630	1.1
129.02951	2.5
129.10245	13.3
130.05005	2.0
130.08652	4.5
130.09547	1.1
130.10585	1.3
131.01888	6.0
132.03430	1.5
133.03444	1.6
133.04993	5.4
134.06004	2.3
134.99701	1.1
135.04369	2.4
137.00887	0.9
137.02312	1.1
137.05971	21.0
137.38916	1.0
138.03429	7.0
138.06459	1.1
140.08183	2.1
141.06567	1.3
141.10179	1.9
143.00162	3.7
143.01895	12.9
144.02267	1.0
144.03430	2.3
144.10133	1.1
145.01701	1.1
145.03482	10.2
145.04959	4.2
146.04021	1.3
147.04370	5.9
153.03993	5.7
153.06584	1.8
154.04764	1.2
155.01894	9.7
155.08177	1.5
156.07646	2.5
157.03444	5.8
157.09720	1.2
157.10863	2.1
157.13422	1.6
158.06671	2.4
158.09247	2.4
158.99690	2.3
159.03914	2.2
159.05077	1.7
159.07666	2.4
161.01259	3.5
161.02940	11.1
161.05919	1.0
162.04427	2.1
163.03783	4.7
164.07098	1.2
165.03989	2.1
167.01865	4.4
167.06935	1.2
168.04457	2.8
169.03421	1.5
171.05049	2.7
173.01390	1.5
173.02939	10.4
173.04396	1.6
173.09244	11.1
174.04445	7.2
175.04453	1.2
175.11913	16.3
176.07712	1.2
177.00728	2.2
177.05534	1.6
179.06967	1.2
181.03375	2.0
182.03430	2.4
182.06090	12.2
183.05009	12.1
183.55170	1.0
185.02975	9.6
185.10445	1.1
187.07243	1.2
188.07689	1.9
189.00789	1.3
189.06093	1.8
190.08676	1.6
191.03867	3.9
191.06529	4.3
194.06668	1.0
195.05089	4.6
195.07646	1.6
195.11244	1.9
197.02846	2.1
197.06386	1.0
199.04570	1.1
200.04408	2.3
200.06081	6.1
200.15068	1.4
200.56125	1.5
201.02455	1.2
201.12329	4.1
203.02258	1.9
203.03992	8.2
205.00140	1.2
208.04691	1.0
209.02994	1.2
212.07658	6.6
212.14072	1.0
213.05989	1.1
213.08641	2.7
213.12346	4.2
215.04048	1.4
219.01735	1.5
219.05058	7.0
221.05066	6.4
221.59189	1.0
223.01126	1.7
226.15514	1.6
227.04077	1.3
227.13892	1.7
229.11932	1.3
230.08611	4.7
234.11304	2.4
237.06059	4.7
243.05133	3.5
244.04286	1.4
245.05011	5.9
249.02646	1.6
249.08191	5.4
254.16083	1.6
255.03133	1.2
255.10880	8.9
255.14476	3.5
263.08051	1.1
267.09302	1.6
272.01697	1.7
272.05707	1.7
272.08890	7.7
272.13504	10.0
272.17078	44.0
279.07169	1.4
290.02664	1.4
291.09302	19.7
292.09482	2.4
293.16043	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.01871	3.2
55.05515	65.9
57.03442	3.1
57.07074	16.2
67.05509	64.5
69.03415	4.8
69.07073	100.0
69.10416	2.6
70.06593	4.5
70.09519	10.4
70.97676	2.5
71.00404	2.7
71.04982	4.8
71.08638	8.2
71.15334	2.6
72.08156	2.9
79.05490	27.2
81.06596	4.2
81.07063	83.2
83.04990	4.4
83.08154	4.6
83.08623	73.9
85.06548	6.6
91.05485	22.1
93.07050	32.5
95.08614	92.2
97.06556	15.2
97.10179	61.7
99.08086	7.3
105.07050	23.0
107.08601	26.4
109.06550	4.6
109.10165	42.8
111.08089	7.7
111.11729	27.7
113.09609	3.7
119.08613	25.5
121.10155	38.9
123.08067	5.2
123.11706	20.5
125.09650	4.4
125.13284	6.4
133.10141	27.5
135.11690	36.5
137.09554	7.2
137.13237	10.9
139.11180	8.8
147.11707	23.0
149.13284	14.8
151.11208	6.4
151.14816	8.3
153.12738	9.5
157.67699	2.7
159.08023	3.0
161.13248	22.2
162.15628	2.5
165.07010	3.9
165.12769	12.9
175.14818	12.1
177.16364	3.2
179.14275	7.7
183.11670	4.0
189.16562	2.8
191.17892	3.1
193.19495	5.9
211.07574	5.4
215.44293	2.6
217.19528	52.9
228.04190	3.1
235.20566	39.1
253.21640	31.5
256.03836	7.8
271.06009	41.0
271.09668	11.5
271.16846	5.4
271.24249	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	271.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05516	1.0
56.05037	0.5
56.96572	0.8
67.05511	0.7
69.03448	0.4
69.07076	3.1
69.58810	1.5
69.59212	0.8
70.06595	52.0
71.05007	0.4
72.04494	0.3
72.08151	2.3
79.05505	1.1
81.07046	1.3
83.06094	0.5
84.04507	3.2
84.08140	2.6
85.02900	0.7
86.09708	28.3
91.05466	1.6
93.07048	1.1
95.08611	0.8
97.06534	0.5
98.97590	1.2
100.11259	1.9
101.00871	0.4
105.07021	0.8
107.04969	0.9
107.08572	0.7
109.06524	0.5
109.10130	0.4
110.07170	1.1
112.07598	1.4
112.08700	0.5
112.11261	0.7
116.07097	100.0
117.03374	0.5
118.28393	0.4
119.04945	0.8
119.08614	0.8
120.08099	0.6
120.93903	0.4
121.06499	0.6
123.04432	0.4
124.05276	0.4
127.03896	0.4
128.10727	19.0
129.10205	0.7
130.05014	1.6
130.06538	0.6
133.10092	0.4
135.04428	0.4
137.05984	1.1
140.07060	1.4
141.06970	0.7
148.13168	0.4
149.06032	0.4
149.09671	0.6
151.07524	0.7
153.07016	1.9
155.08545	0.8
156.07686	0.4
156.10211	3.5
158.71637	0.5
159.57901	0.4
163.03847	0.6
165.07025	3.6
166.12267	1.1
168.05707	0.6
177.05443	1.0
181.06474	1.0
183.08046	2.1
183.14920	0.8
196.05188	0.4
211.07532	2.6
213.05382	0.4
221.05939	0.8
225.16089	0.7
228.07784	0.4
239.07079	0.7
242.09239	0.5
243.10075	0.6
254.11688	0.5
271.06003	2.6
271.09747	7.1
271.14453	1.0
271.16876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Flemichapparin
Peak:m/z	Relative Intensity
55.05523	0.7
56.96577	1.6
57.07071	0.6
63.29662	0.6
64.13100	0.6
67.05492	1.8
69.07059	1.6
71.04980	1.1
71.16238	1.2
75.50673	0.6
79.01942	0.6
79.05493	2.3
81.07049	2.4
83.04968	0.8
91.05474	2.4
93.07053	2.2
95.04967	1.1
95.08626	2.4
103.05472	35.1
105.07038	2.9
107.01318	0.7
107.05008	0.9
107.08583	2.4
109.06504	3.9
109.10165	0.8
111.04401	1.0
119.08566	0.9
124.01587	2.1
129.07001	1.5
131.04933	55.6
131.08548	1.8
132.02069	0.9
133.10132	0.8
135.08081	3.0
135.60390	0.6
137.02296	0.7
139.03912	1.6
141.07018	1.0
143.08588	2.1
143.85019	0.6
145.10139	2.3
149.09601	0.7
152.01053	42.1
155.08560	1.4
157.10109	1.1
159.11612	0.6
165.06970	4.1
167.03406	97.7
168.03708	0.7
169.06477	1.0
169.10123	1.7
170.02122	12.1
171.11697	1.9
177.30238	0.6
178.02654	0.9
179.08463	0.7
180.09521	0.6
181.27180	0.6
181.86610	0.6
183.08099	1.2
183.11636	0.9
193.04973	0.9
193.06517	2.4
195.11674	3.3
198.70575	0.6
210.06841	1.3
211.07600	2.1
211.14838	1.0
213.12813	2.7
221.05908	0.8
225.09123	4.7
229.15918	1.0
235.07646	1.6
235.19170	0.6
239.06960	4.7
241.04968	1.4
253.08589	3.4
253.15932	0.8
256.07385	2.6
271.09656	100.0
272.10001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.02382	0.5
53.03957	0.8
55.05504	0.8
56.96576	1.5
67.05502	1.7
68.99792	1.4
69.07078	0.9
69.20243	0.5
70.49229	1.6
77.03922	0.6
79.05489	1.9
81.07050	1.7
83.08629	0.5
91.05486	2.5
93.07063	1.2
95.04966	0.8
95.08603	1.6
96.02115	1.8
98.50607	0.5
102.04646	0.5
103.05473	55.5
105.07035	1.0
108.81766	0.5
109.10154	1.3
111.04430	4.5
118.38879	0.5
119.08571	0.6
131.04936	100.0
133.02859	0.8
133.10158	1.1
139.03883	1.1
141.06992	0.9
152.01045	4.2
155.08569	0.8
159.11703	0.6
161.13170	0.7
165.07014	2.2
167.03410	39.6
169.06465	1.1
183.08081	1.4
185.04446	1.0
193.04909	0.6
195.17828	0.5
197.05954	2.7
211.07597	4.1
211.14722	0.5
215.07172	0.5
221.06024	1.0
229.08650	1.5
239.07076	5.1
271.09656	92.1
271.24319	1.6
272.09915	0.8
272.29456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Pinostrobin
Peak:m/z	Relative Intensity
51.02381	0.3
53.03945	0.8
55.01870	0.3
56.05054	0.2
56.96583	0.3
57.39136	0.2
64.91351	0.2
66.49034	0.2
67.05503	0.5
68.02630	0.3
68.99792	1.3
69.07069	0.6
69.84792	1.1
70.06599	0.3
71.05002	0.3
77.03942	0.7
79.01861	0.3
79.05502	0.9
79.51382	0.2
81.07050	0.6
84.08151	0.2
89.03869	0.2
91.05479	2.3
93.07030	0.2
94.18330	0.2
95.04976	1.0
95.08606	0.7
96.02124	1.0
101.01037	0.2
102.04684	0.3
103.05475	51.5
104.05799	0.2
105.03425	1.1
105.04505	0.3
105.07050	0.6
107.01321	0.3
107.04948	0.9
107.08560	0.2
109.06460	0.2
109.10139	0.2
110.07220	0.2
111.04449	4.8
119.08611	0.3
124.01595	0.2
126.03152	0.3
129.07042	0.5
131.04938	97.6
133.02849	1.0
133.10150	0.5
137.05995	0.6
139.03899	0.9
141.07033	2.0
144.05719	0.4
152.01073	3.5
152.06152	0.3
153.07030	0.5
155.04959	0.3
155.08548	0.8
161.13258	0.3
165.05470	0.6
165.06998	2.5
167.03413	38.3
168.05696	0.4
169.06482	2.0
170.02106	0.3
171.08083	0.5
173.09624	0.2
177.05505	0.4
181.06401	0.2
182.07294	0.3
183.08047	1.7
185.04463	1.0
187.14824	0.3
193.05013	0.7
193.06406	0.4
194.07339	0.2
197.05974	3.0
201.09039	0.8
210.06790	0.3
211.07567	4.5
215.07007	0.4
221.05965	0.8
225.09169	0.3
229.08611	5.2
238.06377	0.3
239.07047	4.9
243.10089	0.3
253.08635	0.7
256.07312	0.3
271.09656	100.0
271.24133	1.0
272.09900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Flemichapparin
Peak:m/z	Relative Intensity
55.05507	2.0
56.96551	2.4
57.07051	1.0
67.05491	2.4
69.07053	2.5
70.37046	1.5
70.37410	1.5
79.05490	1.4
81.07056	3.6
83.04975	0.9
83.08618	1.0
84.08134	1.0
91.05467	3.0
93.07018	1.6
95.04985	1.0
95.08593	3.1
96.54420	0.7
97.06519	0.8
97.10203	0.9
98.97572	1.3
103.05471	26.7
105.03400	1.3
105.06998	2.3
107.04929	1.0
107.08607	1.6
109.10128	2.3
111.04475	0.7
113.36847	0.7
117.23289	0.8
119.08545	2.1
121.10128	1.4
123.11729	1.0
124.01569	2.1
126.01318	0.7
129.07002	0.8
131.04935	53.2
133.10062	1.4
137.02399	1.0
139.03902	0.8
141.06958	1.4
150.03119	0.9
152.01048	36.0
152.96553	1.1
153.01825	0.8
153.06972	1.1
153.99335	0.7
155.08455	0.8
159.08067	1.1
161.13229	1.0
165.06935	3.4
167.03412	83.2
169.06497	0.8
170.02104	11.1
173.13301	1.1
178.02608	1.4
179.08534	0.9
181.06447	1.1
182.07253	0.8
183.08061	2.4
185.04498	0.9
187.14821	0.8
193.04945	1.2
193.06502	2.3
193.10143	0.7
197.13182	0.8
201.16328	0.9
210.06738	1.2
211.07547	3.3
215.17670	0.8
217.19516	0.8
221.05984	1.8
225.09087	2.8
236.55180	0.7
239.06989	3.2
241.05000	1.1
241.15811	0.7
243.10132	1.1
250.53464	0.7
253.08588	2.2
256.07297	2.6
271.06406	4.2
271.09637	100.0
271.24030	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	271.0965
Annotation	Dihydroformononetin
Peak:m/z	Relative Intensity
51.02377	0.9
53.03933	3.2
55.01871	4.4
55.05500	2.7
56.96569	4.2
57.03426	1.2
57.07073	1.1
65.03921	1.3
65.05790	0.8
67.05496	4.9
68.99798	4.1
69.03413	3.6
69.07073	4.9
70.06572	2.1
71.04977	0.9
71.51881	0.9
72.08139	1.6
76.19262	0.8
77.03915	2.0
77.96896	1.0
79.05494	79.5
81.03416	2.4
81.07061	10.2
83.04958	2.0
83.08603	2.1
84.08110	1.2
85.02905	2.2
85.06525	2.0
86.09679	1.1
89.03917	1.0
91.05479	20.5
93.03384	1.0
93.07038	10.8
95.04958	5.3
95.08616	8.4
96.02092	1.1
97.02899	2.5
97.06505	4.5
98.97582	8.9
99.04427	1.4
103.05468	100.0
105.03395	7.6
105.04482	1.5
105.07022	8.0
107.04955	87.4
107.08605	6.4
109.06567	4.0
109.10167	3.5
110.03657	1.3
110.07171	1.6
111.04438	3.4
111.08073	1.2
112.99059	1.0
113.02389	0.8
115.05457	2.4
116.98621	3.3
117.07021	2.2
119.04889	2.1
119.08561	5.1
120.08124	0.9
121.06512	6.4
121.10150	4.3
122.03600	1.2
123.08095	1.5
123.11704	1.5
125.05996	6.4
128.06229	0.9
129.07014	2.2
131.00121	1.1
131.04932	24.2
131.08557	3.7
133.02856	33.3
133.10127	4.2
135.04393	0.9
135.08063	2.0
135.11655	2.1
137.05960	8.1
138.03137	4.0
139.03905	7.3
140.35236	0.8
141.06998	6.1
142.07722	1.3
143.08578	3.2
145.02863	1.6
145.10092	3.0
147.11713	5.5
149.09637	1.6
149.13231	1.0
150.03098	3.3
152.06210	2.9
153.05475	58.3
153.06937	10.0
154.07741	2.0
155.08536	14.8
157.10138	2.0
158.99666	2.5
159.08029	1.1
159.11659	3.1
161.02345	2.0
161.05925	1.2
161.13277	2.1
165.01822	1.2
165.05472	34.5
165.06990	44.6
165.12740	2.7
167.08543	1.1
168.05713	2.9
169.06587	1.1
171.11745	1.7
173.01224	2.3
173.13255	1.0
175.11172	2.1
177.00661	2.1
177.05428	2.8
178.05882	0.9
180.04138	1.7
181.06476	5.1
182.07204	2.9
183.08054	63.5
189.12701	2.9
193.04846	2.1
193.06467	7.5
193.07736	4.6
193.12212	1.4
194.07220	0.9
196.05109	2.4
197.09547	1.3
199.11140	1.7
207.13835	2.1
209.05928	8.5
210.06731	2.8
211.07533	28.7
213.05414	1.6
213.09077	2.3
215.17877	0.8
217.12219	5.8
221.05980	1.1
225.09047	3.7
226.06351	1.6
228.07848	2.3
235.13342	7.5
238.06233	1.0
239.06996	5.4
241.08569	4.7
243.10164	34.2
244.99808	1.2
250.07857	1.7
250.57999	1.1
253.08527	5.5
253.14226	4.3
271.06052	3.8
271.09650	32.9
271.20959	1.3
271.24203	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03937	4.6
55.05517	22.6
56.96564	6.0
57.03447	27.3
57.07068	5.4
67.05511	82.9
69.07069	24.8
69.32559	17.6
69.32967	5.6
71.04987	7.5
79.05497	50.6
81.03411	3.5
81.06596	5.9
81.07058	100.0
82.61333	3.1
83.04966	13.4
83.08619	27.2
84.08157	5.2
85.06543	6.6
88.40976	2.9
91.05482	33.4
93.07047	75.2
95.04964	6.6
95.08604	26.6
97.06522	14.9
99.08091	3.8
104.99277	7.0
105.07020	14.4
107.08605	37.6
109.10155	9.6
110.07138	4.7
111.08061	13.1
116.55750	3.3
117.07010	12.6
119.08582	8.6
121.10149	48.2
123.11719	3.6
125.09682	3.0
131.08566	15.0
133.10132	16.2
135.08003	3.4
135.11691	16.4
139.11195	3.2
149.09630	31.9
149.13257	39.9
159.11679	32.8
161.13252	4.6
177.05513	4.5
177.09132	11.9
177.12781	14.5
179.14259	3.6
184.41420	3.1
195.13838	18.6
209.11682	12.4
210.87665	3.2
259.87308	3.1
269.08157	7.3
269.17471	95.5
269.22476	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	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
53.03938	4.1
55.05512	24.8
56.96549	9.2
57.03437	27.6
57.07077	18.5
61.46879	2.8
65.03938	3.4
67.05511	74.0
69.07071	34.3
70.05775	13.0
71.04994	4.9
76.64920	3.7
79.05074	5.7
79.05499	62.7
81.07060	100.0
83.04969	11.9
83.08635	18.7
84.08128	2.8
85.06545	9.2
86.09678	2.9
91.05498	36.3
93.07047	83.3
95.04953	11.0
95.08612	40.6
97.06531	16.5
97.10155	3.7
99.08083	7.3
104.99272	7.4
105.07037	15.9
107.08589	36.6
108.06863	3.6
109.06490	4.8
109.10131	12.4
110.07118	3.4
111.08076	9.5
113.05997	3.4
117.07001	9.5
119.08582	8.0
121.06542	4.8
121.10143	35.9
123.11705	4.5
127.07574	3.5
127.11203	7.9
129.06941	4.0
131.08582	16.3
133.10127	17.5
135.08034	5.8
135.11691	16.4
145.10184	3.1
147.11649	3.4
149.09619	31.3
149.13268	46.8
151.11162	5.3
159.11703	35.5
161.13229	4.5
167.07043	2.9
169.55418	3.2
177.05499	5.9
177.09070	10.5
177.12729	22.5
179.14334	4.3
181.12163	3.4
195.13872	19.5
202.04858	3.4
209.11722	9.3
243.63466	3.1
251.20181	5.0
269.07907	4.0
269.17465	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1609
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
52.80624	0.4
55.05492	0.8
56.05009	1.5
60.04538	2.2
61.10268	0.4
61.71999	0.5
64.55687	0.4
69.03400	0.7
70.06592	4.0
70.86382	0.5
71.04472	0.4
72.08154	9.3
73.02917	0.5
79.05515	0.4
81.04548	0.8
82.47237	0.4
83.06100	8.2
84.04510	0.8
84.08154	4.1
85.02890	1.1
85.03375	0.4
85.87726	0.4
86.09711	4.3
88.03978	0.5
89.10802	0.5
91.05473	0.8
93.04528	7.3
95.06088	1.7
97.02901	0.9
98.06046	1.3
107.04967	1.6
110.07165	100.0
115.08700	0.7
119.01910	0.8
119.04939	0.8
120.08157	0.8
121.04023	0.5
123.04446	1.0
129.10257	1.4
132.10204	0.4
135.04398	2.1
136.06227	1.1
136.07597	3.2
137.04605	3.5
137.05989	1.3
138.06607	3.5
143.01942	0.6
147.06902	0.4
152.05743	0.6
152.07059	0.4
153.05531	1.5
156.07683	16.2
157.03548	0.4
163.03877	3.0
165.05510	0.7
166.06168	1.2
170.09229	0.6
178.13411	3.1
182.08163	2.0
185.02956	0.7
186.03258	0.5
189.62874	0.4
197.03049	0.4
203.03908	0.4
223.10884	0.6
223.15529	6.7
234.11362	1.0
235.08101	0.5
246.05452	1.4
246.08282	0.4
251.15199	9.0
252.12364	5.9
264.03165	0.8
269.08490	0.6
269.11432	0.8
269.16156	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	269.1748
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03931	5.0
55.01857	3.5
55.05515	18.0
56.96562	1.6
57.03437	29.6
57.07066	4.8
65.03915	1.3
67.05506	74.8
69.06738	1.9
69.07073	27.8
70.06577	1.3
71.04998	8.4
71.08607	2.0
71.52110	1.2
71.52872	1.1
79.05495	45.2
80.80610	1.1
81.07057	100.0
81.53423	1.1
83.05003	11.1
83.08617	16.1
83.36954	1.2
84.08114	2.5
85.06550	7.6
90.91139	1.2
91.05482	23.5
93.07046	74.3
94.83120	1.1
95.04961	5.6
95.08610	32.7
97.06536	17.8
97.10142	3.2
99.04482	1.5
99.08082	4.5
105.07029	13.3
107.04943	1.4
107.08595	35.8
109.06497	3.7
109.10144	8.5
110.07161	3.9
111.08096	9.0
111.11710	1.4
113.09635	1.4
117.07025	11.7
119.08569	5.7
121.06503	2.6
121.10147	17.1
123.08051	2.7
123.11691	5.0
127.07674	1.3
129.07004	1.6
131.08588	15.6
133.10135	16.6
135.08080	3.5
135.11688	16.0
139.11150	1.8
143.08633	2.6
145.10127	3.4
147.11642	4.0
148.93150	1.4
149.09619	1.5
149.13261	50.9
151.11148	2.3
153.09065	2.0
157.10091	3.6
159.10461	2.4
159.11702	31.0
161.13229	2.4
167.14410	2.2
171.11650	3.0
173.13191	2.8
177.12756	18.5
179.14331	1.8
181.10008	1.6
185.13185	2.3
187.14833	1.6
195.13805	15.1
199.14819	1.7
209.05981	3.0
209.13223	3.7
213.14587	1.4
213.16425	2.4
215.17914	1.2
233.15552	1.3
241.08603	1.7
251.16420	1.4
251.25647	21.6
269.07996	7.1
269.17462	83.6
269.22122	12.9
269.26663	4.7
270.18155	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
53.72007	3.6
55.01880	9.5
55.05520	21.9
55.65323	3.8
56.05909	3.9
56.96565	13.8
57.03445	5.1
57.07059	6.3
60.09683	4.3
67.05503	20.6
69.03432	15.7
69.07081	23.7
70.06590	15.2
70.40422	4.0
70.61828	7.6
70.62189	9.8
71.04987	12.4
72.08157	9.5
79.05492	45.7
81.03418	6.6
81.07063	51.1
83.04994	38.2
83.08621	8.4
84.08148	12.0
84.96021	4.3
85.02903	6.2
85.06546	11.2
86.09721	9.7
91.05480	33.0
93.07053	66.7
95.04984	21.8
95.08614	36.7
97.02879	7.2
97.06554	40.9
97.10163	5.9
98.97586	19.1
99.04455	12.4
103.05431	5.4
103.50941	5.9
105.07036	71.2
107.04963	26.7
107.08599	48.0
109.02853	6.5
109.06533	25.2
109.10157	6.1
110.07162	21.2
111.08100	9.3
113.06047	5.4
116.98674	8.7
117.03393	6.4
117.07014	16.0
119.04949	12.6
119.08595	27.5
120.08167	6.0
121.06510	43.0
121.10165	14.5
123.08030	6.8
125.06012	42.7
129.06976	5.5
129.10263	5.6
130.07770	7.0
131.08566	17.7
133.06497	15.2
133.10126	11.3
135.08061	23.8
135.11703	18.0
137.05992	19.8
137.09662	5.5
139.07558	19.1
143.00212	4.8
143.07054	14.6
143.08606	10.4
144.09325	6.0
145.02866	16.6
145.06503	11.2
145.10146	91.9
147.08070	11.4
147.11699	17.8
149.06015	7.2
149.09650	6.1
151.04028	5.5
151.07535	7.1
153.07024	7.3
154.07756	7.8
155.08559	6.2
157.08728	5.2
157.10129	10.5
158.07278	9.6
159.07968	5.8
159.11673	41.9
161.13345	7.8
163.07558	9.0
163.11197	100.0
167.07147	5.3
167.10608	4.7
169.10144	12.0
171.11676	4.7
172.08839	7.1
172.64044	4.5
173.09651	67.4
173.13280	8.2
177.05499	39.8
177.09059	6.3
177.12790	7.0
179.08601	8.4
181.12288	26.4
182.07246	6.8
186.28001	5.5
187.11191	57.4
189.12724	7.2
191.10677	37.2
197.09665	19.0
198.06853	6.3
205.12187	30.1
207.83513	5.7
209.08124	8.3
209.11745	12.7
215.10689	83.2
215.17998	4.6
219.01773	6.0
227.12796	13.3
233.11765	62.9
233.15308	8.1
233.19119	5.4
241.08606	9.7
251.12836	23.0
251.16551	6.4
251.20183	6.7
265.30734	4.9
266.33936	4.6
269.05002	6.5
269.08124	26.7
269.13721	21.9
269.22681	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	269.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65965	3.9
55.01848	10.8
55.05497	16.8
55.56310	4.2
57.03423	7.0
66.17434	3.6
67.05497	33.2
67.53325	4.7
69.03425	28.3
69.07068	30.4
70.06574	7.7
71.04979	16.8
78.52934	3.2
79.05495	48.8
81.03413	6.9
81.07059	64.1
83.04576	3.7
83.04983	34.3
83.08627	5.3
84.08125	11.4
84.65959	3.4
85.02880	4.3
85.06525	10.7
86.09666	4.0
86.22163	4.9
88.65356	3.8
91.05479	44.7
93.07045	70.1
95.04958	15.8
95.08604	45.4
95.58211	3.9
97.02881	9.4
97.06538	39.7
98.20769	7.5
98.97562	6.3
99.04430	13.4
99.08115	4.2
104.87188	4.2
105.06390	6.7
105.07028	68.9
107.04935	21.1
107.08595	50.0
109.02866	3.8
109.06512	34.9
109.10156	7.7
110.07163	8.3
111.04415	10.6
111.08071	26.7
113.05975	6.6
117.07011	20.4
117.93632	4.0
119.04919	9.8
119.08583	31.4
120.08057	5.9
121.06518	43.1
121.10119	15.5
123.08041	11.7
125.06006	30.3
125.09610	6.2
127.07589	7.6
129.06961	6.7
129.10234	4.9
130.07748	8.6
131.08611	24.3
133.06488	10.9
133.10103	10.1
135.04381	5.6
135.08057	29.5
135.11623	19.2
137.05966	22.1
137.09631	6.7
139.07544	22.5
141.06975	5.8
141.09084	13.4
143.07034	11.7
143.08551	8.4
144.09387	4.6
145.06496	5.9
145.10133	91.9
147.08018	11.4
147.11676	15.9
149.09593	10.7
149.13220	6.2
151.07567	10.4
153.12604	3.9
154.07703	5.7
157.08554	9.4
158.07231	9.9
159.08026	10.3
159.11714	50.3
161.09602	6.1
161.13213	7.7
163.07507	11.3
163.11191	100.0
165.09142	4.3
165.85291	3.9
169.10025	7.6
171.11665	7.2
173.09653	54.2
177.12715	12.4
179.08522	5.0
181.12215	29.0
182.07216	4.9
187.11160	57.7
187.14777	6.6
191.10699	40.4
195.10091	5.4
197.09590	16.7
205.12236	34.2
209.11729	26.4
215.10652	71.0
215.14270	3.8
219.16313	4.1
227.12718	10.1
233.11731	62.6
233.15308	6.8
240.85127	4.6
251.12712	21.4
251.16321	15.4
269.07990	9.2
269.13699	28.0
275.78433	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1385
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
52.09469	4.5
53.03944	8.3
55.01865	11.8
55.05519	25.2
57.03427	12.5
59.78181	4.1
61.08033	4.6
67.05507	43.8
69.03429	37.7
69.07078	26.0
69.26256	32.7
70.06604	21.5
71.05006	27.9
71.05314	4.8
72.08163	8.7
74.09636	4.5
79.05498	47.8
81.03415	18.1
81.07068	79.0
82.04199	6.2
83.04990	43.1
83.08610	14.9
84.01207	4.9
84.04523	6.9
84.08128	23.4
85.02885	10.4
85.06555	23.4
86.09701	7.0
91.05492	48.8
93.07050	100.0
95.04964	22.3
95.08617	67.4
97.06556	23.2
99.04475	24.5
99.08130	5.1
105.07040	57.5
107.04964	10.8
107.08598	48.9
109.06530	52.0
109.10154	21.4
110.07159	22.7
111.04429	20.5
111.08089	38.9
113.05951	5.2
117.07013	28.1
119.04954	8.2
119.08592	39.6
120.08095	6.3
121.06494	19.6
121.10170	26.9
121.10920	4.9
123.04450	5.5
123.08054	16.1
123.11697	6.3
125.05986	10.5
125.09663	6.6
127.07607	8.7
129.06960	6.9
129.10181	4.6
129.68964	4.4
131.08583	44.2
133.06487	5.0
133.10107	21.0
135.08055	50.5
135.11711	19.6
137.05994	52.0
137.09654	7.2
139.07545	27.2
141.09093	26.2
143.08568	10.0
145.06459	9.6
145.10149	77.6
147.08037	22.5
147.11635	13.6
149.09621	32.6
149.13237	5.4
151.07542	24.6
153.09076	13.7
153.12677	7.2
157.10156	6.2
159.11711	46.1
161.09607	14.0
161.13310	4.6
163.07530	23.2
163.11197	19.4
167.07210	5.8
167.10652	12.5
169.10043	7.9
173.09642	37.4
177.12779	13.5
181.08617	9.0
181.12196	5.6
183.10182	8.8
187.11209	32.3
187.14830	10.8
189.09137	5.3
191.10695	72.4
193.08553	8.4
197.09692	7.3
202.50182	5.6
205.12183	37.1
209.11749	30.6
215.10703	25.6
215.14218	5.8
223.13239	5.7
233.11734	58.9
233.15349	9.6
251.12744	35.2
251.16423	10.3
251.20041	8.6
261.10611	5.0
269.08176	20.4
269.13760	43.1
286.99872	5.0
290.34183	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15009	0.6
60.58764	0.5
71.50816	1.2
77.86121	0.5
82.99854	0.7
84.08146	1.1
98.97552	1.5
99.04463	2.4
101.00872	4.5
103.00629	1.6
115.02393	0.9
116.98661	0.6
117.88780	0.5
119.01928	10.7
120.02040	1.6
121.01677	4.1
127.03922	5.8
133.03513	0.6
136.06166	1.3
137.02974	1.8
139.02505	2.1
142.98482	0.9
143.01909	1.0
145.03430	3.3
146.89722	0.7
155.01938	0.6
157.03458	11.8
160.99677	2.7
161.02887	0.9
167.01881	3.2
169.03484	1.4
171.05109	1.0
173.02948	3.5
175.04556	2.3
177.00949	1.0
178.01050	1.6
179.00702	19.5
181.03439	1.3
185.02953	31.7
187.04518	2.7
191.04013	0.9
199.04578	2.4
203.00778	2.3
203.02364	0.8
203.03992	14.4
208.04536	0.7
209.02977	1.3
215.04010	2.4
217.05763	0.7
219.01941	2.3
219.03934	2.8
220.02068	0.9
221.01768	25.0
221.05153	2.3
221.94287	1.2
222.01915	1.6
226.05672	0.8
227.00766	2.0
227.04018	14.1
233.05115	1.5
237.54367	0.6
239.95248	0.8
244.96016	1.6
245.01857	12.5
245.05061	38.7
262.03287	2.6
263.02884	100.0
263.06027	6.3
264.03015	1.4
268.06607	1.1
286.04440	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01881	0.3
57.03431	0.5
66.02195	0.1
69.03433	0.3
71.01366	0.2
71.45256	0.2
85.02888	0.3
94.04061	0.3
119.03574	0.9
120.08128	0.2
136.06190	100.0
137.04683	0.3
176.98404	0.2
242.01547	0.2
268.10416	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	269.0808
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
55.05436	0.3
56.96493	0.2
67.05411	0.9
68.99721	0.3
69.06979	0.5
71.52076	0.5
72.91389	0.2
78.34243	0.2
79.05406	0.6
79.05798	0.2
81.06950	1.3
83.04890	0.3
83.08549	0.2
85.06432	0.4
87.56069	0.2
91.05398	0.7
93.07031	1.2
95.08497	1.0
95.34647	0.2
97.06472	0.3
102.04588	0.4
103.05383	0.3
105.03404	2.1
105.06944	0.6
107.01256	0.2
107.04971	1.2
107.08492	0.8
107.56058	0.2
109.10053	0.6
110.07109	0.5
113.05951	0.2
117.06937	0.3
119.08477	0.7
120.07999	0.2
121.06432	0.5
121.10088	0.6
123.11699	0.3
124.01582	1.5
129.03334	0.5
131.04831	0.7
131.08444	0.3
132.62064	0.2
133.10039	0.6
135.11555	0.2
142.07701	0.3
145.10048	0.6
149.05945	0.4
149.07004	0.2
149.13184	0.4
151.07472	0.2
152.01048	0.4
152.06013	0.3
153.06868	0.3
157.10127	0.3
159.11612	0.7
165.01732	0.3
165.06926	0.3
166.02138	0.5
167.02242	0.6
167.03477	0.4
167.07004	0.4
171.11641	0.4
177.05513	1.3
181.06601	0.3
183.07964	0.3
185.13313	0.2
187.14604	0.2
197.05969	1.2
198.06752	2.1
199.14812	0.4
209.05969	0.5
209.07997	0.5
212.08487	0.2
226.06252	14.8
237.05550	0.6
238.06195	0.9
239.07030	1.0
245.60410	0.3
247.32935	0.2
254.05751	36.8
255.06375	0.3
268.26437	0.4
269.08090	100.0
269.22604	2.8
269.26758	0.6
270.08502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05516	2.5
55.31578	0.3
56.05024	0.9
56.05854	0.5
56.96568	1.4
57.03436	0.3
57.07074	0.4
60.04519	0.4
67.05498	1.0
68.05032	0.4
69.03432	1.1
69.07075	5.0
70.06596	5.2
70.63097	1.0
71.04988	0.6
72.08160	19.2
73.02917	0.5
73.07858	0.6
73.08492	6.3
74.06084	1.3
74.08812	0.7
79.05493	2.1
80.93844	0.4
81.07066	1.5
83.04985	0.5
84.04518	2.2
84.08144	4.7
85.02907	0.7
86.06072	1.0
86.09711	100.0
87.04484	0.5
87.06403	0.7
87.10040	0.6
89.03895	0.8
90.04286	1.1
91.05483	6.8
93.07068	0.6
95.04980	0.9
95.08639	0.4
96.59842	0.4
97.02882	0.9
97.06551	0.5
98.06084	0.4
98.97581	1.2
99.04455	0.6
103.05497	1.2
104.07114	2.6
105.03417	1.1
105.06987	1.1
105.07566	0.5
107.04950	2.3
107.08590	0.5
108.05313	0.4
109.06535	0.9
110.07180	2.1
111.04456	1.2
115.08714	0.5
116.07063	0.9
116.98655	0.4
117.03413	2.0
117.21020	0.4
118.03675	2.5
119.04956	3.7
119.08598	0.8
120.04474	5.6
120.08112	4.9
121.02897	2.9
121.06483	0.6
121.08447	0.9
122.07160	1.3
122.08881	0.4
123.04430	0.9
127.08633	0.4
128.98619	0.5
129.10254	1.7
131.04984	0.5
133.06514	1.0
133.10158	0.5
135.04439	5.7
135.08028	0.5
136.04749	4.0
136.07703	0.4
137.05986	66.3
145.02840	2.6
146.03200	4.3
147.03418	1.8
147.04494	0.7
147.08104	0.7
149.06026	0.6
150.06416	0.5
150.45462	0.4
153.05484	0.9
154.08638	38.7
156.07750	0.5
161.05956	2.2
162.05481	0.5
163.03923	10.7
164.04257	22.0
164.07065	1.0
166.08603	0.7
167.07086	1.1
167.08894	0.5
168.09282	0.6
169.08621	0.5
177.05536	1.5
178.05930	5.2
179.06009	4.7
180.06490	0.5
193.08618	1.5
203.10703	0.4
204.10245	0.4
207.10211	0.5
221.08148	0.6
235.14352	2.3
249.09532	1.0
250.10939	0.5
250.13840	0.8
267.17065	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	[4]-Gingerol
Peak:m/z	Relative Intensity
55.01868	5.1
55.05506	6.1
57.07073	2.6
67.05501	7.8
69.07078	5.4
71.05000	1.8
71.08628	2.1
71.51910	1.6
71.52268	1.7
77.64761	1.6
79.05499	9.3
81.03438	1.7
81.07058	32.3
83.05000	2.9
83.08634	5.2
91.05477	6.1
93.07040	5.2
95.08613	12.5
97.10181	4.2
98.98477	1.8
105.03409	1.9
105.07043	3.9
105.25606	1.3
107.08591	11.9
109.06520	12.4
109.10167	8.5
109.13042	1.9
110.07156	1.6
111.04449	11.4
111.08131	1.6
115.96624	1.4
119.08570	5.5
120.04356	1.8
121.06512	2.0
121.10156	3.6
123.08073	1.5
123.11707	3.9
125.06010	6.1
129.07034	1.9
133.10091	3.7
135.08055	3.4
137.05981	100.0
137.13286	1.8
139.07449	1.4
141.01823	1.3
142.07701	1.3
144.05704	1.4
145.06497	1.6
147.08096	1.4
147.11702	1.7
151.07568	2.5
151.11227	2.0
157.10124	2.1
161.09641	3.3
165.01857	3.9
167.07092	1.5
171.11734	1.5
173.05980	1.9
175.14774	2.9
185.13283	5.7
190.00816	1.9
198.10231	1.3
203.14357	5.8
204.07816	2.2
213.12794	5.1
221.15317	6.8
223.04324	3.9
231.13808	3.3
235.56900	1.5
249.14885	30.2
249.17702	1.9
249.18585	1.9
267.06583	13.8
267.09735	2.9
267.15842	27.3
267.21094	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05472	0.7
56.05009	0.4
69.94040	1.4
70.06586	2.6
72.08160	11.2
73.08485	3.3
74.06040	0.4
79.05482	0.8
84.04465	0.6
84.08109	1.8
86.06036	0.6
86.09660	1.7
89.03923	3.3
89.10794	2.9
90.04237	3.3
90.09145	1.2
90.11092	1.2
91.05437	0.7
91.09514	0.4
92.05771	0.5
93.06998	0.5
97.02872	0.5
98.06031	0.6
98.97485	0.4
99.09251	0.4
104.07104	1.8
105.03369	0.7
105.07410	0.7
107.04991	3.1
110.07130	0.9
111.04386	0.9
115.08678	0.9
117.03385	14.0
118.03716	16.0
119.03966	2.6
119.04774	0.5
119.08514	0.4
120.04465	1.0
120.05271	0.5
120.07360	0.5
120.08114	3.9
121.02880	5.0
121.33321	0.5
127.08674	1.1
129.10205	1.0
133.02846	1.7
134.03688	0.4
135.04477	3.0
136.04799	2.6
137.05939	0.7
145.02853	30.5
146.03189	48.5
147.03415	15.2
149.05991	3.7
150.06331	6.1
151.03914	0.9
151.06572	1.9
163.03929	6.9
164.04251	13.0
177.05479	34.4
178.05818	100.0
179.06018	49.7
187.05804	0.5
204.10353	0.5
222.11316	1.3
230.04361	0.5
232.09686	0.9
249.12825	0.5
250.10880	0.9
250.13393	5.8
267.10681	0.8
267.13864	1.7
267.16183	18.0
276.40610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	[4]-Isogingerol
Peak:m/z	Relative Intensity
55.01863	5.6
55.05518	5.2
56.96544	3.1
64.43493	1.0
67.05502	7.3
69.03423	2.1
69.07065	3.0
69.31934	8.9
71.04986	1.1
79.05495	10.7
81.06600	1.6
81.07058	30.4
83.04963	3.9
83.08617	2.6
85.06532	1.5
90.19733	0.9
91.05487	4.0
93.07056	5.6
93.07560	1.1
95.04959	4.2
95.08609	7.9
97.06511	2.6
97.10139	1.3
105.07006	4.3
107.08606	10.8
109.06534	11.5
109.10152	3.3
111.04440	8.6
111.08038	1.7
117.07001	1.3
119.08577	5.3
121.06464	2.9
121.10135	2.1
123.11723	1.0
125.05974	4.2
125.09641	1.2
129.06996	1.2
131.08548	2.0
133.10094	3.3
135.08055	3.1
137.05978	100.0
143.08578	1.2
145.10091	1.3
147.08041	2.2
147.11705	2.4
149.09563	1.9
151.07555	3.9
157.10165	1.6
161.09599	3.1
161.13152	1.5
165.09196	1.5
175.11226	1.1
175.14850	3.7
185.13332	4.8
193.05463	1.2
193.15836	1.5
195.11723	1.9
203.14293	6.3
207.17419	1.6
213.12703	5.5
221.15408	6.0
231.13774	4.2
247.14497	1.0
249.14883	30.1
249.18596	5.5
267.06592	1.4
267.15894	27.2
267.19559	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	267.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
54.85625	0.3
55.01870	1.2
55.05516	10.1
57.07082	1.9
59.20538	0.3
62.99070	0.9
67.05515	2.3
69.03461	0.4
69.07072	100.0
70.06602	1.6
70.07413	0.3
71.05001	0.4
71.51879	0.4
72.08159	0.7
73.02930	0.4
74.99072	1.0
79.05506	0.8
81.07052	0.7
83.08624	1.3
84.08167	0.7
86.09725	0.5
87.02712	0.4
89.02391	0.6
91.05484	0.8
93.00105	1.9
93.07075	0.5
95.04976	0.3
95.08587	0.7
98.21528	0.3
102.98545	1.2
105.07050	0.7
107.04960	0.3
107.08593	0.4
109.06561	0.5
109.10159	0.4
110.07140	0.4
111.11729	13.9
112.95278	0.3
120.08112	0.6
120.99574	7.7
125.06103	0.3
129.10304	0.3
131.08577	0.3
135.04413	0.4
137.07883	0.3
139.00603	0.7
142.87521	0.3
147.08089	0.3
152.55731	0.3
159.08276	0.5
161.09970	2.1
169.08592	0.4
178.05882	0.5
193.08351	0.3
202.10081	0.3
203.11002	0.4
207.08052	0.3
231.10260	0.4
235.07738	0.4
249.11562	20.1
267.06451	0.4
267.10098	1.0
267.12634	10.0
267.15680	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1343
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
55.05523	0.5
56.05042	17.6
56.96574	0.6
57.03448	2.8
57.22684	0.4
58.06610	3.5
67.05509	0.7
69.07066	0.7
69.79278	2.8
70.06602	3.0
72.08165	6.0
74.06087	100.0
74.27375	0.6
79.05479	0.8
81.07074	0.6
84.04515	5.5
84.08154	2.0
85.02910	1.0
86.09710	1.5
87.08128	0.7
89.10790	0.8
91.05496	2.4
93.07080	0.5
98.97592	1.0
101.07164	1.1
103.05473	2.0
105.03403	0.7
107.04976	4.9
110.07175	1.2
117.11357	0.5
120.08116	57.8
121.06533	1.9
122.07135	0.7
123.04452	0.5
124.98034	0.5
124.98971	0.5
127.08680	1.9
129.10258	0.7
131.04942	1.7
132.08051	0.7
133.02841	2.1
134.06032	0.5
135.04413	1.0
137.05998	1.9
146.03221	0.8
149.05975	1.3
151.03917	1.6
161.02313	0.7
164.04353	0.6
166.08659	43.4
171.79259	0.5
176.10689	1.4
177.07899	0.6
179.03419	1.1
179.05673	0.5
203.11853	1.5
204.10283	0.6
205.10535	1.5
206.11826	2.1
221.10565	0.8
221.12840	8.8
222.11293	0.7
232.09727	1.1
249.12338	6.4
257.66992	0.6
267.13446	20.4
268.15323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91272	0.4
59.46344	0.4
69.51842	0.3
69.89094	0.3
70.67743	0.8
70.68087	0.6
72.08158	7.7
86.46379	0.3
89.03922	4.9
89.91289	0.3
95.59109	0.4
106.04221	0.7
117.03387	19.3
134.03642	1.0
135.04419	0.5
145.02855	56.4
149.05994	7.2
177.05479	100.0
186.05460	0.5
196.68481	0.4
240.55852	0.4
266.13800	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.2
55.05507	0.4
59.54984	0.2
63.02375	0.4
70.07517	0.7
70.07918	0.4
72.08160	6.1
73.06552	0.2
79.05502	0.6
86.06059	1.4
87.04484	1.2
89.03922	6.3
90.08655	0.3
90.09177	1.7
91.05490	0.4
98.21424	0.2
103.05486	0.4
104.07111	5.5
107.04980	1.1
117.03387	25.4
121.72766	0.2
134.03621	1.1
135.04428	8.5
145.02853	62.1
146.03195	0.5
149.05981	6.2
162.03114	0.4
163.03912	46.5
177.05478	100.0
178.05833	1.4
182.73457	0.2
186.05534	0.7
196.80817	0.2
266.10248	0.8
266.13870	2.4
266.16196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.065
Annotation	Aristolide B
Peak:m/z	Relative Intensity
53.03947	0.2
55.01874	2.4
55.05513	0.2
56.96547	0.1
59.04988	0.2
65.03954	0.1
67.05495	0.2
68.99772	1.0
69.03421	0.3
69.07064	0.2
71.51538	0.1
79.01855	0.4
79.05499	0.1
81.03421	0.5
81.07045	0.3
91.05479	0.1
92.99776	0.2
93.07045	0.2
95.04977	0.3
95.08609	0.3
97.02900	0.5
98.97602	0.2
99.00829	0.4
103.05482	0.4
105.03393	3.3
105.04474	0.2
105.07021	0.3
107.04942	0.1
107.08578	0.2
109.02863	0.2
109.06519	0.1
109.10158	0.2
111.00789	0.1
113.02409	0.1
119.08572	0.1
120.04472	0.1
121.10140	0.1
123.00793	2.4
130.42473	0.1
133.10100	0.2
137.02332	2.2
141.01825	6.8
145.10095	0.1
147.11734	0.2
149.09627	0.1
155.03406	0.2
157.10173	0.1
165.01836	30.7
171.04440	0.1
177.05574	0.1
178.05835	0.1
183.02890	10.0
185.13242	0.1
189.05472	0.1
213.05565	0.1
223.04407	0.1
239.06992	0.6
249.11179	0.1
267.06512	100.0
268.06857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.6
59.12500	0.3
63.02358	0.5
69.03438	0.3
70.06590	0.4
70.55918	0.7
70.56299	0.7
70.63424	0.4
72.08160	10.1
73.06532	0.4
73.08469	2.2
80.82734	0.4
86.09701	0.6
88.11613	0.3
89.03917	5.6
89.10799	2.3
90.04230	1.5
90.09186	1.1
90.11107	0.9
91.05470	0.5
104.07095	2.0
106.04197	0.5
115.08680	1.1
116.09000	0.6
117.03386	21.3
117.66022	0.4
118.03722	5.9
119.04925	0.4
132.38461	0.3
134.03606	1.2
135.04448	2.7
145.02852	57.8
146.03191	27.0
147.04362	0.7
149.05991	6.3
150.06345	2.3
163.03908	12.0
175.95708	0.3
177.05478	100.0
178.05814	55.0
184.67578	0.4
186.05524	0.7
187.05852	0.4
190.86322	0.4
249.13170	5.6
251.59416	0.3
262.04175	0.4
266.11172	0.7
266.15872	18.4
271.75531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1388
Annotation	Anisomycin
Peak:m/z	Relative Intensity
50.08344	0.2
55.05500	0.3
56.33187	0.2
63.31235	0.2
66.80767	0.2
70.79342	0.5
72.08160	6.3
73.06550	0.4
89.03917	4.6
89.04427	0.4
90.09202	2.4
99.77626	0.2
103.05468	0.4
106.04198	0.5
117.03387	20.0
123.23879	0.2
134.03621	1.3
135.04453	0.6
136.06210	0.3
145.02853	52.3
146.03207	0.2
149.05995	7.3
163.03979	0.4
177.05476	100.0
178.05833	0.4
186.05499	0.4
266.13898	1.9
266.16315	0.3
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
66.92684	0.4
71.50375	0.5
82.99831	0.9
101.00880	8.3
110.16144	0.4
119.01923	7.3
121.01775	0.4
125.18881	0.4
134.99916	0.6
137.03014	0.6
140.98831	1.8
142.03476	0.7
150.26796	0.4
158.99908	4.2
170.48959	0.9
177.00963	12.8
179.49443	1.6
179.99498	0.7
181.99728	0.8
182.99895	1.4
188.50002	0.4
191.00240	2.5
196.94408	0.4
198.94318	0.6
201.00925	4.1
201.02487	0.6
202.01146	0.4
215.99554	0.4
216.95224	0.6
217.04192	2.7
219.02019	18.6
220.02121	1.9
224.73523	0.4
225.00851	2.7
230.97952	1.1
243.01962	14.1
243.04277	0.8
258.96591	1.0
261.03067	100.0
262.03189	0.8
263.03308	0.5
283.97873	0.5
284.04623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.2
54.36007	0.2
55.05513	0.6
63.02369	0.5
69.03441	0.3
69.07037	0.3
70.06596	1.2
71.51411	0.3
72.08157	8.1
73.06544	0.3
73.08500	0.4
73.91523	0.2
76.32484	0.2
76.92358	0.2
79.05482	0.9
84.04499	0.8
84.08138	0.8
84.81803	0.2
85.02910	0.3
86.06068	3.1
86.09707	1.9
87.04471	2.7
89.03916	8.2
89.10828	0.3
90.04237	0.4
90.09198	1.8
91.05489	0.5
98.97608	0.4
102.09189	0.4
103.05482	0.3
104.07108	10.5
104.07807	0.5
105.03343	0.2
106.04125	0.3
107.04967	2.0
110.07157	0.8
117.03384	27.5
118.03720	0.5
119.04932	0.4
119.07343	0.4
120.08131	0.4
129.10330	0.3
133.72066	0.2
134.03650	1.2
135.04416	16.8
145.02850	65.0
146.03185	2.7
149.05980	6.8
150.06374	0.3
151.07396	0.3
152.07031	0.4
162.03143	0.3
163.03908	91.8
164.04291	0.5
177.05475	100.0
178.05847	5.3
178.08569	0.3
179.57372	0.2
186.05522	0.7
204.10255	0.5
206.08145	0.6
220.09723	1.2
248.12691	0.4
249.13089	0.6
266.10339	2.0
266.13785	1.9
266.15958	1.0
271.14328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
51.17497	0.2
51.81108	0.3
54.15541	0.3
55.05502	1.8
55.05722	0.3
60.45838	0.3
60.70666	0.3
70.06567	0.3
70.50851	0.6
72.08157	21.1
72.23161	0.3
89.03912	3.0
89.10791	5.8
91.05451	0.3
97.39448	0.3
98.06063	1.0
106.04192	0.5
115.08713	1.8
117.03381	15.5
120.08100	2.9
122.07133	0.4
134.03636	0.9
135.04416	0.8
145.02846	51.7
146.03299	0.5
149.05980	5.8
162.03050	0.3
163.03929	1.7
164.04253	0.3
166.08705	1.7
177.05470	100.0
178.05867	0.5
178.93651	0.3
186.05524	0.5
248.12830	8.0
265.15475	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	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03936	1.7
55.01863	0.9
55.05511	36.5
57.03419	2.1
57.07077	14.7
65.03937	1.0
67.05506	36.8
69.03410	0.6
69.07069	55.6
69.32185	3.3
69.32586	1.7
71.04971	2.0
71.08631	8.5
79.05494	19.7
79.05961	0.6
81.04544	0.9
81.07056	43.5
83.04967	1.6
83.08617	38.1
85.06543	3.1
85.10172	3.8
91.05490	3.1
93.07044	25.7
95.04996	0.9
95.08605	45.0
97.06532	12.3
97.10166	29.1
98.20708	1.2
99.08080	2.6
105.07010	1.0
107.07887	0.9
107.08595	17.6
108.61340	0.6
109.10155	22.4
111.08080	8.8
111.11720	9.3
113.09648	0.8
114.01022	0.5
119.08571	1.0
121.10143	39.5
122.07149	7.1
123.11695	8.8
125.09638	2.3
125.13241	2.4
127.11186	0.7
129.08777	0.6
135.11694	33.8
137.13239	4.3
139.11185	2.1
141.12709	1.0
143.14297	1.5
144.04761	2.5
145.02811	0.9
149.13258	13.5
151.14813	4.8
153.12735	1.0
155.14249	1.0
163.14815	5.2
165.00690	0.6
165.16385	4.8
169.15784	0.9
177.16428	2.6
179.17877	0.9
191.17967	1.7
196.96585	1.3
223.97733	1.4
241.96260	0.9
241.98756	2.5
247.24217	35.6
265.00241	1.0
265.25262	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
56.05028	0.6
56.96569	2.6
59.02554	0.3
69.52675	1.6
69.53088	0.8
70.06599	3.4
70.21564	0.3
72.08149	2.3
72.24198	0.3
80.04989	0.4
81.04547	3.8
84.04511	3.8
84.08134	1.5
86.09704	0.9
89.10796	0.6
91.05467	1.5
98.97580	0.9
110.07151	1.3
116.07121	0.4
117.03353	0.6
119.04952	1.0
120.08138	0.4
122.06066	2.5
122.07156	29.6
126.34802	0.4
129.10211	0.5
136.07549	0.3
137.05977	6.8
141.50546	0.3
144.04791	7.9
145.01799	0.4
145.02826	2.0
154.08611	1.3
162.02931	0.3
162.09148	15.4
163.03897	0.5
175.32616	0.3
177.05513	3.6
185.00900	0.4
191.11797	100.0
205.03654	0.4
219.11298	3.9
223.04712	2.0
236.97293	0.5
241.05702	1.1
247.10889	2.3
253.49976	0.4
265.11844	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	265.1436
Annotation	Phomenone
Peak:m/z	Relative Intensity
53.03968	2.5
53.38639	2.4
55.01862	5.3
55.05511	12.0
56.02365	2.1
57.03445	2.9
57.64703	2.2
67.05502	12.4
69.03436	21.0
69.07057	7.5
79.05498	15.3
81.03421	6.6
81.07052	16.5
83.04980	43.4
83.08634	7.0
84.08140	3.0
85.06539	3.4
91.05482	23.8
93.07043	22.4
94.12146	2.8
95.04967	6.3
95.08598	13.3
97.02902	4.4
97.06515	4.2
98.20627	4.5
98.97587	6.5
102.45615	2.4
103.05463	6.3
105.04445	2.3
105.07035	22.5
107.04939	8.2
107.08596	35.9
109.02882	10.1
109.06517	16.3
109.10147	7.2
111.04446	24.5
111.08089	8.6
113.06001	10.0
115.05462	19.7
117.03310	4.1
117.07023	30.0
119.08586	25.6
121.02830	3.7
121.06508	37.8
121.10162	6.0
122.07184	15.2
123.08058	7.1
123.11664	3.5
125.09633	3.6
128.06186	5.1
129.07022	7.7
131.04903	4.0
131.08562	14.9
133.10136	10.0
135.08066	72.5
135.11678	4.3
137.05919	3.7
137.09636	6.9
139.07449	2.4
141.06979	3.9
142.07710	3.0
143.08540	10.6
144.05771	5.0
144.09351	6.8
145.02861	4.5
145.06493	53.7
145.10129	10.7
147.08089	8.5
149.05948	9.5
149.09605	16.0
151.07512	3.6
151.11172	3.6
153.09134	7.5
155.06055	8.3
155.08534	3.6
156.05725	7.6
157.06541	5.8
157.10130	3.4
158.07191	2.6
158.10873	12.4
159.08061	15.4
159.11674	24.8
160.05292	3.2
160.08859	5.4
161.05980	4.6
161.09604	9.0
163.07552	51.6
163.11131	12.2
165.09155	6.3
167.07080	14.3
171.08125	4.4
172.08855	10.1
173.06003	54.6
173.09651	15.7
173.13281	31.2
177.05464	6.5
177.12773	3.8
181.08578	3.4
183.11694	5.7
185.13301	4.0
186.10419	11.4
186.93021	2.3
187.07578	10.0
187.11189	52.7
189.08990	3.1
190.06245	23.7
191.07021	19.2
191.11847	3.0
196.08925	4.7
201.12749	50.0
202.06274	3.3
203.07076	8.2
203.14305	2.4
205.06613	3.3
205.08589	62.3
205.12227	18.8
209.08067	3.5
211.11168	11.0
217.08598	33.3
218.09377	3.8
219.10248	5.6
219.13812	18.2
222.06734	3.2
229.12222	58.5
235.09793	4.5
247.09845	11.4
247.13310	100.0
250.06343	4.3
265.08423	18.8
265.11414	3.9
265.14124	14.0
265.25098	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.05517	0.5
58.75145	0.4
63.02395	0.4
63.02777	0.3
63.18977	0.4
70.06598	0.5
70.79620	0.4
70.79966	0.8
72.08160	17.7
86.09723	0.6
89.03907	3.9
89.10794	11.3
91.05499	0.5
91.12394	0.3
93.07052	0.6
98.06048	0.9
103.05502	0.7
106.04128	0.5
115.08712	1.0
117.03387	21.4
120.08116	7.1
121.02863	2.6
134.03673	0.8
135.04372	0.7
145.02850	61.6
149.05978	8.2
163.03865	1.2
177.05475	100.0
179.05484	0.4
191.11783	0.8
192.10229	0.9
247.07957	0.5
248.12784	4.6
265.09079	0.7
265.15436	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	265.1071
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
55.01860	4.2
55.05515	2.7
56.96579	1.2
57.33710	1.2
62.54243	1.2
62.99795	1.2
67.05501	4.5
69.07050	2.1
70.06588	1.6
70.13370	4.3
72.08163	2.6
79.05495	8.6
81.03413	12.9
81.04527	2.2
81.07051	4.8
83.04993	1.5
84.08123	1.4
91.05474	8.4
93.07059	4.5
95.04996	1.8
95.08610	5.0
98.20837	2.3
103.05473	6.7
105.07018	4.7
107.04964	19.3
107.08590	2.1
108.04441	1.1
109.06598	1.4
109.10166	2.8
113.94304	1.2
115.05457	24.1
116.06259	2.8
117.07014	38.2
118.04128	1.3
119.08598	3.5
121.10152	1.5
122.07147	15.3
124.05211	3.2
127.05356	1.9
128.06201	4.2
129.06961	10.4
130.04108	2.0
131.04955	4.6
131.08548	9.9
132.05736	2.8
133.06483	3.5
133.10158	1.6
141.06990	6.3
143.04916	3.7
144.04756	2.7
144.05714	12.8
145.02837	2.8
145.06487	64.1
145.10161	1.5
147.04422	2.0
147.08038	5.0
149.05942	1.7
152.04700	2.0
155.04938	2.1
155.06053	12.7
156.05698	13.6
157.06461	7.0
158.07301	5.9
159.08049	15.6
160.05208	3.9
161.05977	6.6
163.03827	2.1
165.17830	1.3
167.07039	42.0
169.06400	3.2
169.07674	2.5
172.05238	2.0
173.05986	90.1
175.03937	1.8
175.07507	7.8
177.05469	8.6
177.09045	1.8
181.04922	2.1
181.06361	1.6
186.06796	3.0
187.07530	19.3
190.06245	42.7
191.06999	6.8
193.08546	3.6
202.06239	3.1
202.21881	1.6
203.06995	17.7
204.07869	2.3
205.08589	100.0
207.10162	3.5
209.05954	2.2
215.07028	6.2
217.08585	44.6
218.09431	9.7
219.10156	13.8
223.09627	2.0
229.08508	1.6
233.08008	2.2
235.09702	9.8
239.22714	1.3
247.09669	29.2
247.17082	2.0
250.06081	1.5
265.04993	4.9
265.08521	4.1
265.10855	18.7
265.18002	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	265.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.5
55.68801	0.9
57.07079	1.1
67.05515	3.0
69.07066	2.4
69.20827	5.0
69.21255	4.1
71.04996	1.0
72.08140	2.0
79.05483	3.3
81.03426	1.9
81.04548	2.3
81.07069	6.8
83.04996	2.0
83.08628	1.7
84.08128	1.4
91.05498	5.0
93.07037	3.3
95.04988	1.2
95.08607	4.3
98.97601	1.5
103.05462	7.2
105.07023	3.6
107.04948	3.7
107.08594	2.4
109.06520	1.1
109.10172	3.1
111.31055	1.0
115.05468	20.5
117.03410	1.8
117.07034	40.3
117.07868	2.2
119.04958	1.1
119.08575	3.5
121.06506	1.3
121.10145	2.1
122.07168	15.9
124.58648	0.9
127.05408	1.6
128.06223	1.7
129.07013	4.1
130.04131	2.8
131.04939	1.6
131.08566	3.2
132.05762	2.2
133.06490	1.0
133.10117	0.9
137.05991	1.6
141.07104	1.0
143.04854	1.1
144.04774	3.6
144.05750	1.8
145.02855	3.5
145.06499	78.3
147.04402	1.3
147.08041	4.5
149.09610	1.3
149.13242	1.6
155.04878	1.9
155.06053	14.9
156.05721	17.6
157.06526	3.3
159.08034	3.3
160.05226	2.3
161.05995	3.8
167.07063	3.7
172.05176	1.1
172.22015	1.0
173.05998	100.0
175.03949	2.1
175.07573	3.6
177.05496	6.2
177.09158	1.0
184.05193	1.4
187.07585	5.4
190.06274	38.1
191.07037	4.3
191.11827	1.5
202.06253	5.0
203.07039	16.0
205.08612	85.9
217.08618	55.9
218.09457	1.3
219.10132	1.9
235.09685	7.3
237.08989	1.2
247.09679	4.0
247.13321	1.9
247.16957	1.6
250.06299	1.8
265.08554	6.2
265.11041	2.3
265.15561	1.1
265.18268	1.7
265.25415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.91537	1.7
71.08636	1.9
72.08164	0.4
86.09691	0.4
88.07628	0.3
89.03918	4.5
91.05485	1.4
109.94471	0.3
117.03389	20.6
119.04939	1.4
131.41690	0.4
134.03610	1.9
135.04448	1.1
136.05203	3.1
137.05978	0.6
145.02856	62.3
149.06000	6.1
151.07518	2.5
154.81741	0.4
158.06006	0.5
162.03116	1.4
163.03938	2.3
177.05484	100.0
178.05057	1.5
184.31853	0.4
186.05525	1.8
188.15550	0.4
194.08043	0.5
216.22462	0.5
246.07657	0.5
248.04613	0.3
264.08548	2.3
264.15967	85.2
264.24075	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52841	0.3
56.46358	0.3
63.02390	0.4
69.24508	0.3
70.75996	0.7
71.08643	2.4
86.09708	0.5
88.11263	0.4
88.24088	0.3
89.03916	4.4
90.15258	0.3
91.05488	1.4
104.46906	0.3
112.11261	0.4
117.03386	17.8
119.04970	1.6
134.03656	1.5
135.04442	0.8
136.05206	2.2
137.05908	0.3
140.98685	0.3
145.02856	57.9
149.05989	6.6
151.07516	2.3
152.07053	0.4
158.05888	0.4
162.03125	1.0
163.03876	2.6
177.05481	100.0
178.05022	1.4
186.05554	1.6
194.08168	2.0
226.09631	0.4
226.98164	0.3
232.63037	0.3
246.07695	0.6
264.08676	1.7
264.15967	81.1
265.16321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	(-)-Pyridoxatin
Peak:m/z	Relative Intensity
53.52833	0.3
58.64637	0.2
63.02369	0.5
69.07080	0.4
70.90339	0.5
71.08641	2.2
77.92066	0.3
86.09721	0.4
88.11269	0.4
89.03918	4.8
91.05490	1.7
117.03385	21.6
119.04972	1.4
121.06496	0.3
129.13905	0.3
132.37198	0.3
134.03583	1.6
135.04446	1.2
136.05206	3.2
137.05975	0.9
145.02846	66.3
145.57365	0.3
149.05995	6.5
151.07509	3.1
162.03156	1.0
163.03935	3.3
164.04720	0.4
177.05470	100.0
178.04893	0.3
179.93678	0.3
186.05495	1.2
199.14757	0.3
241.04137	0.3
264.15948	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	264.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41148	0.5
53.52844	0.4
56.96556	0.6
58.06613	0.5
67.05503	1.4
69.03436	0.8
69.07070	0.8
70.06573	0.8
70.75905	1.2
71.08621	1.4
72.08150	0.4
84.08140	0.7
86.09732	0.7
89.03912	4.8
91.05488	2.3
93.07047	0.4
98.97556	0.9
103.05483	0.4
104.62247	0.5
109.10146	1.6
110.06049	1.6
112.11240	1.0
117.03385	23.4
119.04944	1.4
129.13901	0.8
129.66270	0.4
134.03630	1.4
135.04419	1.7
136.05190	3.1
137.06004	0.5
138.05478	1.3
145.02847	62.7
149.05986	7.3
151.07545	3.3
162.03087	1.5
163.03925	5.6
177.05475	100.0
178.05025	1.2
186.05498	1.6
192.06612	0.7
205.08551	0.6
229.14421	1.1
246.07680	1.0
264.08774	3.5
264.15955	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05506	3.8
66.01033	1.5
67.05502	12.9
69.07040	1.9
70.06600	2.7
71.08615	1.7
71.52193	1.9
72.08134	2.2
79.05506	8.4
81.03431	8.5
81.04532	5.7
81.07052	15.6
83.08584	2.0
84.08145	2.2
85.06538	1.8
89.03951	3.6
90.04257	4.4
91.05494	10.8
93.07037	6.2
95.04943	3.2
95.08624	12.9
97.06541	3.3
98.97584	1.6
101.61351	1.7
102.08824	1.6
103.05454	3.9
105.07045	8.2
107.04971	12.3
107.08576	8.1
109.06513	2.2
109.10153	6.5
111.08053	1.7
115.05451	12.1
116.06234	1.9
117.03384	17.1
117.07019	17.1
118.03721	13.1
119.08562	6.8
121.10125	4.4
122.07169	39.9
123.08048	2.2
123.11702	2.8
125.05972	2.2
127.27359	2.1
128.06189	2.1
129.07021	4.3
131.04944	2.0
131.08546	5.2
133.10057	4.4
135.04456	2.4
135.11682	4.3
136.05119	2.2
141.06979	4.8
144.04745	8.7
144.05727	5.2
145.02856	43.1
145.06488	36.8
145.10106	3.1
146.03197	54.9
147.11687	3.4
149.05992	6.1
149.13193	3.1
150.06325	3.7
151.11139	2.6
155.06071	9.0
156.05695	5.5
157.06474	4.9
158.07248	1.8
159.08043	9.9
159.11642	2.1
161.05989	5.9
161.13289	2.1
163.03856	4.3
164.04207	3.5
167.07060	23.7
171.05562	14.9
172.05309	1.7
173.06010	46.7
173.13281	3.0
175.07492	2.6
177.05478	63.4
178.05815	83.6
187.05997	3.0
187.07523	11.3
190.06259	21.6
191.07042	3.1
191.11937	1.7
193.08548	2.0
194.07521	1.8
202.40187	1.7
203.07051	8.2
205.08607	56.8
207.10112	2.1
215.06956	4.7
217.08600	22.6
218.09323	5.8
219.10141	8.3
227.46181	1.6
235.09648	5.5
237.05389	1.9
247.09727	16.3
247.13226	2.3
247.16962	3.1
247.20598	5.0
261.58609	1.5
265.05048	3.3
265.10318	9.8
265.16241	100.0
265.21741	8.8
270.93808	1.9
289.16415	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01862	2.3
55.05492	2.2
56.05045	4.4
56.96557	3.2
57.03438	5.0
58.06605	1.2
60.04531	4.3
60.05645	1.2
61.01155	0.9
61.02929	4.2
67.05527	1.6
68.05013	1.6
69.03099	1.1
69.03437	16.1
69.07059	3.1
69.60223	2.6
69.60641	1.7
70.02946	1.0
70.06598	14.1
71.01358	1.1
71.04991	3.1
71.06909	0.7
72.04516	1.9
72.08158	7.9
73.02923	6.8
74.06078	2.7
79.05450	0.7
79.60934	0.7
80.05018	2.0
81.03434	4.6
81.04537	1.8
81.07077	0.7
82.02967	0.8
82.06592	1.4
82.99835	1.1
83.04980	1.1
83.06089	2.3
83.63852	0.7
83.99921	1.3
84.04513	11.9
84.08144	16.2
85.02911	19.7
85.06518	0.8
85.08487	1.0
86.03249	0.9
86.06062	2.3
86.09710	24.9
87.03220	13.4
87.04476	6.8
87.05605	1.3
87.10007	0.7
88.04007	7.4
91.05486	2.6
93.04526	1.3
93.07050	1.2
94.06584	1.2
95.08608	1.2
96.04490	1.4
96.08148	0.8
97.02892	13.0
98.06049	1.7
98.09692	6.4
98.21486	1.6
98.97035	0.8
98.97578	4.0
99.04468	7.5
101.00888	13.2
102.00955	18.3
102.05537	3.6
103.00605	1.5
104.02461	0.8
105.07035	0.9
107.04970	1.4
107.08601	1.8
108.04493	3.8
109.02896	2.3
110.06053	0.8
110.07179	14.9
110.97603	0.9
111.04461	0.9
112.05097	1.7
112.07643	5.1
112.08743	1.1
112.11232	0.9
113.00871	2.0
113.07088	0.8
114.00915	3.8
114.05494	2.1
114.09211	0.7
115.03931	3.4
115.08661	1.0
116.07072	2.2
116.09049	0.8
116.98598	1.3
117.03391	1.1
118.08676	2.6
119.01932	17.8
119.04927	1.4
119.08994	1.1
120.02018	26.9
120.08093	2.3
121.01683	2.1
121.02831	1.0
121.08424	2.0
122.06305	1.2
122.07168	13.5
124.03969	0.7
126.05511	4.6
127.03935	4.5
128.10728	5.2
128.98631	1.4
129.10255	5.1
130.05025	1.1
130.08638	3.0
131.01917	6.4
131.04903	1.1
131.05800	13.1
132.01984	9.7
132.04416	1.0
132.10217	2.6
133.06554	0.8
135.04352	1.0
135.06831	0.7
136.03825	1.7
136.05026	0.7
136.06122	1.0
136.07547	3.0
137.02948	2.3
137.05971	5.6
137.07912	1.0
138.03130	1.7
138.06325	0.8
138.09200	0.7
140.07005	1.1
140.10709	1.0
143.01907	18.8
143.03578	0.9
144.02034	44.0
144.04797	3.1
144.06546	2.0
145.01625	2.0
145.02649	1.3
145.03564	0.9
145.04958	1.4
146.03645	1.6
147.04294	2.4
148.06027	1.1
150.03104	1.0
150.05614	1.2
152.07039	1.0
153.03976	2.0
154.03221	1.0
154.04959	3.6
155.01907	6.9
156.02051	6.5
156.07674	2.1
156.97511	1.7
157.03491	2.5
157.97523	1.5
158.03633	1.5
158.06709	1.1
158.99760	0.9
161.02975	32.7
162.03105	100.0
163.02728	5.6
163.03903	2.8
164.10701	2.5
167.01868	1.2
169.03415	1.1
172.06065	1.9
172.07512	1.1
173.02975	8.7
174.03128	15.3
174.04494	2.3
174.54593	1.1
175.02719	1.2
175.04442	1.5
175.98599	1.5
177.00748	1.4
177.05533	3.0
178.05002	21.2
180.04094	1.8
182.06010	0.8
182.11790	14.2
183.04988	5.0
184.04468	1.0
185.02969	5.2
185.04724	3.1
186.03114	4.1
187.04445	0.9
189.00685	0.8
190.05031	0.8
190.07130	3.1
190.08676	1.2
191.04045	1.8
191.11790	2.1
192.04108	10.8
192.05594	1.0
193.01320	1.2
197.03130	1.3
198.03244	1.2
200.03810	1.3
200.12839	59.9
203.04001	5.9
204.04189	42.9
205.03815	2.7
210.06026	1.5
210.11269	2.5
215.03995	1.2
215.05922	1.0
217.99686	1.5
218.11911	1.3
218.13907	12.9
219.01741	1.3
221.05067	1.2
222.05229	2.8
223.04709	0.9
228.12328	40.2
234.05258	0.8
239.06236	0.9
241.05687	1.0
245.05075	6.1
246.05191	1.8
246.07710	17.2
246.13388	64.8
247.05904	1.1
249.13544	1.3
250.03207	1.2
263.06174	0.9
263.58255	1.2
264.06317	19.0
264.08713	36.7
264.12161	1.6
264.14484	3.0
265.05618	1.0
281.91321	0.8
282.05627	0.9
287.06219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
57.84799	0.3
65.60857	0.4
69.03429	0.6
70.06595	56.4
70.56519	1.0
71.04990	0.8
72.08163	0.5
79.05505	1.4
84.04511	0.4
84.08152	1.6
85.02948	0.5
85.06535	0.4
86.09685	0.5
87.04452	0.4
89.03917	5.5
91.05457	0.6
93.07073	0.4
98.97588	0.6
107.04962	1.9
112.11261	0.6
117.03388	11.7
129.10442	0.4
129.13931	0.4
135.04422	14.9
145.02850	25.0
149.05901	1.8
163.03909	100.0
164.04179	0.4
177.05479	23.3
178.05037	1.0
194.08134	5.9
224.54915	0.5
232.09720	1.0
233.42915	0.4
246.07690	0.7
264.08875	1.8
264.12262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
58.42546	0.3
58.46121	0.3
63.48637	0.3
70.06596	5.1
70.68291	0.7
70.73513	0.3
72.08157	0.5
79.05511	0.4
83.49371	0.3
84.08149	0.7
89.03919	4.4
91.05478	0.6
97.06534	2.0
98.97596	0.4
112.11253	0.6
112.28444	0.3
117.03378	19.1
119.04922	0.4
120.08121	0.3
129.13887	0.5
134.03629	0.9
135.04405	1.4
137.05956	1.2
145.02846	49.8
147.04381	0.3
147.76140	0.3
149.05978	6.9
162.03107	0.5
163.03908	2.5
177.05466	100.0
178.04950	0.9
186.05450	0.4
192.06538	3.3
199.63411	0.3
233.11719	1.1
246.07657	0.6
246.11211	0.9
252.03911	0.3
260.57022	0.3
261.11008	0.3
264.08682	1.6
264.12305	2.3
264.16064	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	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01868	1.1
55.05510	16.0
57.03429	2.1
57.07076	11.4
63.22374	0.6
65.03956	2.9
67.05505	89.7
69.07066	18.9
69.44822	1.1
69.45219	3.4
71.05000	1.7
71.08627	5.5
76.27400	0.6
79.05015	0.7
79.05145	0.4
79.05490	22.5
81.07055	100.0
83.04989	1.9
83.08620	13.7
85.06530	3.6
85.10152	2.9
91.05477	16.7
93.07040	25.6
95.04975	1.8
95.08606	82.6
97.06528	8.3
97.10164	7.1
99.08086	5.7
104.99280	8.2
105.07025	12.2
107.08600	14.6
109.06514	1.3
109.10155	44.8
111.08064	4.7
111.11748	1.6
113.09615	3.1
119.08585	11.3
120.55175	0.5
121.10140	16.9
123.08075	2.2
123.11702	20.1
125.09642	1.1
127.11194	1.6
131.08539	0.6
133.10138	15.2
135.11688	9.0
137.09593	2.6
137.13275	8.5
141.12764	2.6
147.11684	9.8
149.13231	7.7
151.11203	1.8
151.14806	7.7
155.14314	1.9
161.13268	10.8
163.14822	6.9
165.16383	10.6
167.14346	0.6
174.77243	0.6
175.14818	7.8
177.16412	1.8
179.14398	0.8
179.17978	4.7
181.15903	1.3
189.16338	2.9
191.00937	0.6
203.17978	1.2
207.17361	0.9
217.19525	1.3
219.21155	0.8
245.22652	39.7
263.23700	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32357	0.5
56.96567	100.0
67.98164	1.2
70.06602	1.7
71.50397	0.8
71.94658	0.5
71.95271	2.1
72.08166	1.7
72.96046	6.1
74.06084	0.6
74.97620	0.8
83.97639	4.5
84.04513	1.3
84.08182	2.8
85.08477	0.7
86.09681	0.8
87.04460	0.8
91.96050	0.6
98.97585	18.8
98.98215	1.2
110.07171	2.2
116.98621	6.0
129.10271	0.6
134.99651	1.8
135.04402	0.6
139.66393	0.6
144.96854	2.0
149.02789	1.3
149.05959	0.7
149.99940	0.8
160.99173	0.9
162.09193	0.5
163.00705	2.2
163.03926	1.8
165.02202	4.3
167.00233	0.9
167.03854	0.8
168.00912	0.6
176.03844	18.3
177.02309	0.9
178.05392	13.7
179.00143	1.6
181.01761	2.0
183.03279	9.6
186.02231	2.1
190.01747	2.6
191.11790	2.3
192.03273	3.6
194.04921	4.8
196.06433	5.9
197.01230	1.8
198.85620	0.6
201.04353	3.8
204.03297	12.3
208.02835	9.1
210.04346	1.5
218.08298	0.8
219.03340	1.2
222.04390	89.4
223.01486	0.9
226.03874	2.6
227.01346	0.5
240.05446	57.0
245.06026	2.4
246.07727	1.2
247.06093	2.1
263.06949	0.9
264.05472	33.8
264.08606	3.9
264.12073	1.0
265.12027	0.8
282.06519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.04291	0.9
55.05512	16.9
57.03432	2.2
57.07076	11.2
61.44580	0.8
65.03941	1.8
67.05509	88.6
69.03443	1.3
69.07074	17.3
69.46539	0.9
69.82273	5.1
71.05005	2.0
71.08641	6.7
73.29635	1.0
79.05497	21.5
81.07060	100.0
83.04967	1.5
83.08626	17.3
85.06551	4.6
85.10184	4.3
91.05491	17.8
93.07052	21.8
95.04964	1.7
95.08611	86.4
97.06529	8.4
97.10158	9.4
99.08092	4.4
101.02303	0.9
104.99281	6.0
105.07039	11.3
107.08605	14.9
109.06520	7.0
109.10162	42.8
111.08130	4.5
111.11679	2.0
111.97475	0.9
113.09644	2.9
119.08595	13.2
121.10144	17.8
123.08061	3.2
123.11703	20.2
125.09629	2.1
127.11237	1.6
133.10138	16.3
135.11691	10.1
137.09618	2.4
137.13278	6.6
141.12825	1.7
147.11722	11.1
149.13275	9.3
151.07623	1.9
151.11197	2.0
151.14841	7.1
155.14330	2.2
161.13272	11.8
163.14844	9.0
165.16386	10.4
175.14818	8.6
177.16359	1.7
179.17989	4.9
181.15909	1.5
189.16399	2.8
203.18007	1.7
217.19560	2.3
245.22664	43.0
263.20139	21.4
263.23724	81.0
270.70514	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.50454	0.5
53.03941	1.2
55.05513	13.7
57.03439	2.0
57.06792	0.9
57.07076	13.5
59.36464	0.6
65.03943	1.4
67.05505	83.6
67.58797	0.5
69.07068	15.9
69.32475	4.6
71.04987	1.6
71.08619	7.0
79.05493	21.0
81.07056	100.0
83.04974	1.3
83.08620	14.2
85.06536	3.4
85.10187	4.3
91.05480	16.9
93.07043	21.1
95.04957	1.6
95.08607	88.0
97.06535	8.5
97.10166	7.0
99.08092	5.3
104.99258	2.0
105.07032	11.2
107.08606	13.1
109.06506	0.8
109.10157	47.2
111.08078	5.4
111.11721	1.5
113.09653	3.8
119.08593	12.3
121.10141	16.4
123.08069	2.0
123.11710	19.4
123.12597	1.2
125.09642	1.5
127.11169	1.5
131.08508	0.7
133.10141	14.1
135.11697	9.5
137.09637	2.0
137.12323	0.8
137.13271	8.6
139.11151	1.0
141.12746	2.3
147.11685	9.6
149.13260	9.7
151.11189	1.6
151.14830	8.5
155.14319	2.4
161.13246	12.5
163.14824	8.5
165.16397	9.8
168.60426	0.6
175.14836	7.7
177.16386	2.9
177.75885	0.6
179.18001	5.0
181.15884	1.1
189.16394	3.4
191.64169	0.6
193.15816	0.9
203.17935	1.8
217.19521	1.6
219.20976	0.5
221.18924	0.6
222.50978	0.5
245.22644	37.6
245.36391	0.6
263.23697	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.82901	0.7
52.98406	0.6
53.03942	1.6
55.01869	0.8
55.05516	16.8
57.03452	1.2
57.07080	11.4
65.03936	1.7
66.73162	0.6
67.05509	85.9
69.07073	16.3
69.52164	4.2
71.04990	1.3
71.08641	7.5
79.05497	20.9
81.07061	100.0
83.04987	1.6
83.08626	16.9
85.06554	4.1
85.10188	2.7
91.05486	16.7
91.06023	1.1
93.07049	24.3
93.67718	0.6
95.04949	0.9
95.08614	86.6
97.06541	7.6
97.10180	6.5
99.08098	6.7
104.99287	11.9
105.07046	13.1
107.08598	16.1
109.06519	1.2
109.10165	45.5
111.08102	5.5
111.11725	2.0
113.09621	3.8
114.19540	0.7
119.08591	12.8
121.10150	16.3
123.08073	1.9
123.11718	20.2
125.09595	2.0
127.11192	1.2
128.32195	0.8
131.08528	1.1
132.11206	0.7
133.10138	14.6
135.11696	10.7
137.09607	2.2
137.13271	8.8
139.11191	0.7
141.12759	2.4
147.11697	11.0
149.13272	9.5
151.11163	1.2
151.14832	6.4
155.14304	1.5
161.13281	12.2
163.14832	8.8
165.16409	10.7
167.14331	1.0
175.14847	6.9
177.16397	2.0
179.17928	5.0
181.15918	1.3
181.28085	0.6
189.16402	4.2
203.17973	1.2
205.19455	0.8
217.19530	1.4
219.21054	0.8
221.19006	0.6
245.20041	1.1
245.22668	39.0
263.14685	5.5
263.23724	93.2
264.24088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
64.91100	0.3
64.91434	0.3
70.06593	34.4
70.46460	1.1
72.08161	0.5
84.08129	1.0
86.09714	1.0
91.05485	0.9
93.07043	2.0
95.04988	0.5
95.08591	0.4
98.21371	0.4
102.24088	0.3
103.05468	6.0
105.03358	0.4
110.07124	0.7
114.05486	0.5
116.07093	87.5
119.04944	0.4
120.08104	100.0
131.04941	0.7
136.07574	0.6
147.04411	0.4
159.07970	0.3
163.03838	0.6
164.15610	0.3
177.05469	0.9
235.14632	0.3
263.13919	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	263.1282
Annotation	CHEBI:69325
Peak:m/z	Relative Intensity
50.13072	1.1
53.03940	3.1
55.01862	3.1
55.05507	11.2
55.05959	1.1
56.01202	1.1
56.96542	1.8
57.03432	1.9
62.38539	1.2
65.03951	1.8
67.05508	11.9
68.99780	3.4
69.03426	12.3
69.07056	4.9
69.45432	5.9
69.45850	3.3
70.06594	41.3
71.04998	1.3
72.08144	2.6
72.75104	1.1
79.05499	10.1
81.03407	2.4
81.07056	12.0
82.92874	1.2
83.04980	20.9
83.08600	3.6
84.08143	11.7
85.02903	19.3
85.06542	2.3
86.09230	1.2
86.09698	8.5
87.04455	1.6
88.03996	2.8
91.05482	23.0
93.07046	15.1
95.04973	8.5
95.08603	6.9
97.02866	4.1
97.06525	4.2
97.10167	3.7
98.97582	6.7
103.05473	5.0
105.06406	2.1
105.07039	28.2
107.04932	4.6
107.08597	18.4
109.02850	3.0
109.06516	9.6
109.10122	6.7
110.07137	2.2
111.04435	3.5
111.08076	1.5
113.02372	33.5
115.05485	6.5
116.06275	1.4
116.07050	1.5
116.98623	1.7
117.03391	2.0
117.07004	9.8
119.01907	2.2
119.04906	4.3
119.08591	16.3
120.08109	37.8
121.02841	3.5
121.06499	6.0
121.10166	7.4
123.04404	4.6
123.08052	7.1
123.11688	5.1
125.05991	3.3
125.09644	5.1
128.06189	3.3
129.07025	8.5
129.10223	2.4
129.59566	1.2
130.06516	11.1
131.04884	3.4
131.08571	12.1
133.06488	10.2
133.10138	15.2
135.04358	1.7
135.08054	26.1
135.11659	1.4
137.05975	4.8
137.09608	3.8
141.06972	5.6
142.07747	4.6
143.08562	7.5
144.08066	2.3
144.09239	1.5
145.02820	2.8
145.06473	4.1
145.10130	5.7
147.04352	2.0
147.08063	7.5
147.11685	17.5
149.05948	2.3
149.09636	12.1
151.07504	2.3
151.11195	24.1
155.08563	2.5
156.09346	17.0
157.06471	1.6
157.10141	10.3
158.07303	2.1
159.08067	7.7
159.11699	7.2
160.08844	5.1
161.02940	2.4
161.05989	22.5
161.09627	9.5
161.13210	2.7
163.03940	3.3
163.07536	5.2
165.07037	3.5
165.09070	2.0
166.07607	2.7
167.07092	1.7
169.06493	4.0
169.10214	1.7
171.08023	4.4
171.11676	14.2
172.07533	3.3
172.08923	2.8
173.09607	7.5
173.13260	1.9
174.10445	2.6
175.07454	13.0
175.08727	5.1
175.11159	23.6
177.05437	4.9
177.09108	3.0
177.12726	2.8
178.05775	4.3
179.07005	4.8
179.08485	1.9
181.10080	4.4
184.08844	8.7
185.02907	3.2
185.05946	1.6
185.09673	6.9
185.13234	3.6
186.10361	2.4
187.07487	5.6
187.11169	7.8
188.08295	5.2
189.05486	9.3
189.06956	2.0
189.09088	3.3
189.11139	3.1
189.12718	12.4
190.08611	2.8
191.14246	2.8
193.08621	5.0
199.11185	31.0
199.14740	1.5
202.09840	5.6
203.03963	3.5
203.06982	2.2
203.10657	24.5
203.14215	2.6
205.08563	2.3
207.06459	6.2
207.08176	2.0
209.09587	4.0
212.08347	6.7
214.09238	2.7
217.09891	2.2
217.12234	35.4
219.10135	1.6
219.13846	2.5
227.10712	37.3
227.12770	5.3
230.09402	2.3
232.10361	1.7
233.07980	1.5
233.11647	3.0
235.07458	4.6
235.10750	16.8
235.13113	2.1
245.11729	100.0
245.15575	5.8
246.58842	1.4
263.06873	10.3
263.12766	99.4
263.16342	3.8
263.23877	1.7
275.06235	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0917
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
53.03946	0.5
55.01877	1.9
55.05512	0.8
56.05039	59.0
56.96564	0.5
57.81337	0.4
58.06585	0.8
60.04509	0.4
61.01154	33.5
65.03947	0.6
67.05514	1.8
68.99799	0.4
69.03438	1.9
69.07093	0.5
70.05569	1.5
70.06601	5.3
71.01374	0.5
71.05003	0.4
71.08648	0.4
72.08165	3.3
74.06083	5.0
78.39639	0.4
79.05501	1.2
79.78267	0.5
81.03421	2.6
81.07065	1.1
82.90847	0.5
84.04510	1.7
84.08150	5.5
85.02907	13.3
85.04029	0.8
86.09708	9.8
87.04483	0.7
89.03905	0.9
91.05486	4.1
93.07050	0.9
95.04951	0.9
95.08607	0.6
97.02909	3.7
98.09696	0.7
98.97646	0.9
99.04417	0.6
103.05462	3.7
104.05335	100.0
105.07030	2.8
107.04974	2.3
109.02882	0.9
109.06531	0.7
109.10206	0.5
110.03661	0.9
110.07137	1.0
110.43344	0.4
111.04443	6.1
112.11242	2.8
113.07099	0.6
113.10794	1.2
115.05431	2.5
115.70121	0.4
116.07100	7.2
117.03353	0.6
117.07036	1.2
118.06551	0.8
119.04963	2.8
119.08607	1.3
120.08109	9.9
121.06535	0.7
123.04436	16.9
127.05480	0.4
128.06218	6.7
129.07014	10.7
129.13913	1.5
131.04916	3.4
131.08563	0.4
132.06595	0.9
132.08109	1.4
132.10214	5.4
133.02885	0.7
133.06508	0.8
135.04419	5.0
136.05208	3.0
136.07594	0.9
137.02365	0.7
137.05986	24.2
141.07013	0.9
141.10251	1.7
143.04941	1.2
143.08571	4.4
144.08055	0.5
145.02858	1.9
145.06488	2.1
146.06032	2.0
146.07092	0.4
147.04422	11.8
147.08081	1.2
148.05182	0.4
149.05957	3.6
152.06216	1.9
153.07001	6.9
155.06049	0.6
155.11798	1.2
157.06496	9.8
157.07787	0.6
159.04414	1.0
159.08109	0.4
160.05208	3.4
161.05983	4.3
161.09679	0.7
163.03917	8.8
163.07527	0.7
164.04515	0.5
165.05504	4.1
169.06503	1.0
169.13371	1.6
171.04346	0.4
171.08057	4.6
172.11577	1.6
173.06017	4.3
174.06792	3.8
174.54030	0.4
175.07558	21.0
175.14827	0.4
176.04700	0.6
177.05463	6.2
177.09129	0.6
178.05043	1.5
179.07022	0.4
181.04976	0.9
181.06458	6.4
181.07887	0.4
184.05206	1.7
185.06004	3.1
187.03874	0.7
187.07629	1.7
188.06985	2.1
189.05450	1.3
189.07516	0.6
189.09048	2.7
191.07047	1.0
197.06120	0.6
198.11305	1.7
199.07558	13.5
201.05576	1.2
202.06285	1.3
203.07027	4.4
205.04948	0.5
205.08701	1.6
209.06036	1.2
215.07053	0.8
215.13934	7.1
217.08615	7.2
217.13617	2.6
219.06596	1.0
221.06023	0.5
224.80171	0.4
227.07014	9.0
230.54654	1.0
233.08206	1.4
245.08107	32.2
245.13007	1.7
246.07668	1.0
246.11485	1.3
254.62614	1.9
263.09195	19.2
263.14075	15.9
263.16928	1.0
263.23663	0.8
264.08691	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.238
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
53.47033	0.2
55.05517	0.2
57.07084	5.7
58.06603	1.4
59.62298	0.2
62.85761	0.2
68.05023	0.2
69.07068	0.3
70.06601	15.2
70.10241	0.6
71.08639	3.5
72.08165	0.5
77.42584	0.2
81.46120	0.2
84.08144	0.5
86.09718	0.2
88.07640	23.0
90.02825	0.2
98.21463	0.3
102.09191	12.7
125.97181	0.2
132.10234	1.1
146.11781	0.6
150.11220	0.5
156.17548	1.4
165.05437	0.3
174.18552	0.4
200.20116	48.4
244.22754	3.7
251.72304	0.2
262.23798	100.0
263.24109	0.3
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	Unknow
Peak:m/z	Relative Intensity
53.51012	0.1
55.05506	0.3
56.43172	0.2
56.96562	0.3
57.07078	5.5
58.06591	0.4
68.05006	0.2
69.07068	0.5
69.83469	0.6
69.83883	0.4
70.06594	13.4
71.01338	0.2
71.04964	0.2
71.08633	4.4
72.04516	0.2
72.08119	0.4
79.05505	0.2
81.07049	0.2
84.08145	1.1
85.02916	0.2
85.06540	0.4
86.09700	0.7
87.64602	0.2
88.07635	13.2
89.20152	0.2
90.05217	0.2
91.05450	0.3
93.07038	0.4
98.97565	0.3
102.09196	0.9
105.07022	0.3
106.08660	2.3
109.10104	0.2
114.09172	5.8
118.08655	1.8
120.08073	0.2
130.08635	0.5
132.10208	20.7
137.05959	0.4
147.04442	0.2
150.11259	17.3
159.08047	0.2
159.21898	0.2
159.23723	0.2
177.05563	0.4
186.18523	1.5
200.20142	1.2
216.19577	0.3
218.21159	5.4
245.13808	0.4
262.23779	100.0
263.24106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38869	5.1
82.99839	2.7
94.64873	1.5
101.00883	30.7
110.43427	1.6
113.00880	4.9
118.08680	7.5
119.01936	20.3
126.50314	1.7
131.01889	7.8
143.01909	70.3
146.09261	2.4
155.01927	7.1
161.02968	100.0
167.01949	1.6
173.02968	17.8
175.28514	1.7
185.02887	3.2
188.07687	1.7
191.04010	9.5
203.04021	40.8
221.05067	1.8
263.01691	14.4
263.06113	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83818	0.4
55.50974	0.3
69.60590	0.4
70.01640	1.8
70.01974	0.4
82.99827	4.6
84.00640	0.5
86.68362	0.4
86.99328	0.7
101.00882	29.7
113.00864	6.0
118.08672	4.7
119.01925	23.6
121.09286	0.4
121.18757	0.4
127.02429	0.5
131.00938	0.5
131.01898	8.1
137.02966	1.3
143.01898	75.5
145.03458	0.8
146.09200	0.8
149.02953	0.8
155.01917	8.7
157.03448	1.1
161.02956	100.0
167.01886	1.1
173.02963	15.4
175.04523	0.8
175.23566	0.5
179.04031	1.2
184.04552	2.3
185.02956	3.3
191.04004	9.6
197.02872	0.6
203.04012	41.0
221.05022	2.9
233.05020	1.4
245.04997	0.5
263.01663	1.0
263.06085	16.9
266.36099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01877	1.9
55.05512	0.8
56.05039	59.0
56.96564	0.5
57.81337	0.4
58.06585	0.8
60.04509	0.4
61.01154	33.5
65.03947	0.6
67.05514	1.8
68.99799	0.4
69.03438	1.9
69.07093	0.5
70.05569	1.5
70.06601	5.3
71.01374	0.5
71.05003	0.4
71.08648	0.4
72.08165	3.3
74.06083	5.0
78.39639	0.4
79.05501	1.2
79.78267	0.5
81.03421	2.6
81.07065	1.1
82.90847	0.5
84.04510	1.7
84.08150	5.5
85.02907	13.3
85.04029	0.8
86.09708	9.8
87.04483	0.7
89.03905	0.9
91.05486	4.1
93.07050	0.9
95.04951	0.9
95.08607	0.6
97.02909	3.7
98.09696	0.7
98.97646	0.9
99.04417	0.6
103.05462	3.7
104.05335	100.0
105.07030	2.8
107.04974	2.3
109.02882	0.9
109.06531	0.7
109.10206	0.5
110.03661	0.9
110.07137	1.0
110.43344	0.4
111.04443	6.1
112.11242	2.8
113.07099	0.6
113.10794	1.2
115.05431	2.5
115.70121	0.4
116.07100	7.2
117.03353	0.6
117.07036	1.2
118.06551	0.8
119.04963	2.8
119.08607	1.3
120.08109	9.9
121.06535	0.7
123.04436	16.9
127.05480	0.4
128.06218	6.7
129.07014	10.7
129.13913	1.5
131.04916	3.4
131.08563	0.4
132.06595	0.9
132.08109	1.4
132.10214	5.4
133.02885	0.7
133.06508	0.8
135.04419	5.0
136.05208	3.0
136.07594	0.9
137.02365	0.7
137.05986	24.2
141.07013	0.9
141.10251	1.7
143.04941	1.2
143.08571	4.4
144.08055	0.5
145.02858	1.9
145.06488	2.1
146.06032	2.0
146.07092	0.4
147.04422	11.8
147.08081	1.2
148.05182	0.4
149.05957	3.6
152.06216	1.9
153.07001	6.9
155.06049	0.6
155.11798	1.2
157.06496	9.8
157.07787	0.6
159.04414	1.0
159.08109	0.4
160.05208	3.4
161.05983	4.3
161.09679	0.7
163.03917	8.8
163.07527	0.7
164.04515	0.5
165.05504	4.1
169.06503	1.0
169.13371	1.6
171.04346	0.4
171.08057	4.6
172.11577	1.6
173.06017	4.3
174.06792	3.8
174.54030	0.4
175.07558	21.0
175.14827	0.4
176.04700	0.6
177.05463	6.2
177.09129	0.6
178.05043	1.5
179.07022	0.4
181.04976	0.9
181.06458	6.4
181.07887	0.4
184.05206	1.7
185.06004	3.1
187.03874	0.7
187.07629	1.7
188.06985	2.1
189.05450	1.3
189.07516	0.6
189.09048	2.7
191.07047	1.0
197.06120	0.6
198.11305	1.7
199.07558	13.5
201.05576	1.2
202.06285	1.3
203.07027	4.4
205.04948	0.5
205.08701	1.6
209.06036	1.2
215.07053	0.8
215.13934	7.1
217.08615	7.2
217.13617	2.6
219.06596	1.0
221.06023	0.5
224.80171	0.4
227.07014	9.0
230.54654	1.0
233.08206	1.4
245.08107	32.2
245.13007	1.7
246.07668	1.0
246.11485	1.3
254.62614	1.9
263.09195	19.2
263.14075	15.9
263.16928	1.0
263.23663	0.8
264.08691	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.9721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.2
56.05019	0.5
56.96536	0.3
57.03409	0.5
60.04528	1.4
60.05617	0.5
61.02874	0.8
69.03422	1.3
70.06593	4.0
70.64674	0.5
72.08112	0.3
73.02868	0.9
81.03405	0.4
81.95229	0.3
84.04478	0.4
84.08146	24.1
84.08865	0.6
85.02855	0.7
85.08462	1.4
88.03993	1.8
91.03881	0.2
94.42116	0.2
95.01285	0.3
97.02884	3.1
98.97546	0.8
101.00886	2.2
101.10729	0.9
102.00937	0.3
102.05475	0.3
102.34811	0.2
111.09122	0.2
112.08686	0.8
113.00874	0.2
113.02320	0.4
115.03886	0.3
115.08665	0.4
116.07051	0.9
116.98706	0.3
119.01928	3.2
120.01985	0.5
122.97784	0.3
129.10245	5.3
130.06076	0.3
130.08641	3.1
130.10580	0.5
131.01860	0.5
134.99857	0.5
137.02910	0.6
140.98804	1.2
141.01799	0.5
142.03474	0.9
143.01884	0.8
145.03432	0.3
147.11292	2.0
148.48943	0.4
153.03938	0.2
155.01923	1.2
155.02997	0.2
156.97501	1.2
157.03409	0.5
157.09712	0.3
157.49486	0.5
158.09175	0.8
158.99892	3.3
160.04544	0.3
161.02983	1.1
171.01129	0.2
171.78143	0.2
173.02931	1.0
173.55283	0.4
174.04453	0.3
174.98566	0.6
175.11955	1.3
176.96503	0.6
177.00957	16.1
178.01076	0.5
180.00856	0.3
185.02921	0.4
188.47253	0.5
190.02628	0.2
196.94481	1.5
197.02916	0.4
197.47655	0.3
197.94464	1.6
198.98447	0.5
199.51714	0.3
199.97427	0.2
202.93317	1.4
208.52129	0.3
208.98177	0.5
209.09200	0.5
210.84454	0.2
214.95657	1.8
215.04062	0.3
215.95770	3.0
215.96461	3.3
216.58676	0.2
216.99597	0.7
217.52756	0.3
217.94838	0.3
220.02086	0.8
220.94398	2.7
226.11896	0.5
232.96738	1.2
233.96712	2.3
237.97372	0.4
238.95515	25.4
238.97713	2.7
239.03651	0.5
239.14989	0.4
239.45747	0.3
239.95604	0.5
241.45909	0.4
243.95955	0.5
244.02126	0.8
245.11052	1.2
247.96164	2.7
248.46107	0.7
250.46408	5.1
250.96446	1.0
256.96616	100.0
257.16129	0.5
257.96802	1.8
258.96909	0.8
259.46942	4.5
259.96939	0.5
261.15665	0.5
261.97064	7.6
262.03064	4.4
262.14230	5.4
270.97772	1.2
274.97678	23.1
275.97983	0.4
279.98221	33.8
280.98389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.4
53.03940	1.8
55.01875	0.8
55.05513	8.2
56.96581	0.7
57.03438	1.5
57.07076	2.6
58.70671	0.3
59.05013	0.3
65.03947	1.0
67.05505	29.2
69.07070	9.4
69.81013	0.9
69.81425	1.0
71.04996	1.5
71.08635	1.3
77.03935	0.9
79.05495	37.5
81.07056	35.2
83.04982	0.8
83.08620	5.5
85.06545	2.7
87.14633	0.3
91.04896	0.8
91.05482	18.9
93.07045	52.5
95.04449	0.4
95.04965	2.0
95.08609	25.2
97.06516	3.1
97.10173	2.0
98.20836	0.4
98.97547	0.4
99.08098	2.8
105.04530	0.9
105.07038	12.9
107.08598	34.2
109.06537	1.2
109.10159	11.4
111.08080	2.1
113.09638	1.3
117.07018	5.1
119.08586	10.5
119.09465	0.4
121.10146	32.9
123.08091	0.7
123.11711	3.7
125.09635	1.0
129.07085	0.4
130.07796	0.5
131.08574	11.4
131.09544	0.8
133.10133	9.5
135.11694	25.6
137.09590	1.5
137.13266	1.1
139.11131	0.6
145.10133	10.6
147.11691	9.3
147.12808	0.7
149.02243	0.5
149.09610	0.9
149.13260	21.8
151.11224	0.9
151.14819	0.8
153.12811	0.5
155.69981	0.3
159.11696	8.9
161.13272	9.6
161.95557	0.4
163.11145	0.4
163.14825	16.7
165.12735	1.1
172.94402	0.5
173.13260	7.9
175.14822	3.8
177.00749	0.6
177.12859	0.9
177.16377	4.5
179.14343	1.4
182.79492	0.3
187.14839	4.6
189.16451	0.8
191.14336	0.5
193.15822	0.5
201.16394	2.5
205.15863	0.9
212.12837	0.3
215.17947	3.0
217.19379	0.5
219.01605	0.5
219.17303	0.4
225.46463	0.3
233.22580	1.1
243.21082	26.5
261.13040	1.2
261.22137	100.0
262.22430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.6
53.71735	0.5
55.01863	0.9
55.05271	0.7
55.05514	9.0
56.96556	0.7
57.03432	0.7
57.07067	2.8
57.64812	0.5
65.03945	1.2
66.68108	0.5
67.05507	29.6
69.07070	9.8
69.66023	1.5
69.66433	1.3
71.04979	1.3
71.08622	0.9
79.05498	39.4
81.07060	34.9
83.04956	0.6
83.08633	5.6
85.06547	2.8
90.91831	0.5
91.04906	0.8
91.05486	18.5
93.07049	51.9
95.04967	2.5
95.08612	23.9
97.06528	2.2
97.10150	2.1
98.21600	0.6
98.97587	0.6
99.08094	2.2
105.04520	1.1
105.07038	12.7
107.08601	34.9
109.06500	1.1
109.09481	0.8
109.10164	11.8
109.47043	0.5
111.08071	2.1
111.11745	0.6
113.09630	0.9
113.16167	0.5
116.06128	0.6
117.07034	6.3
119.08582	11.6
121.10149	30.8
123.08059	1.4
123.11700	3.4
127.11221	0.6
131.08571	10.8
133.10144	11.0
135.08086	0.8
135.11700	27.6
137.09674	1.0
137.13245	1.0
139.11191	0.9
144.09282	0.5
144.78770	0.5
145.10129	10.4
147.11696	9.1
149.02380	0.9
149.09639	1.1
149.13272	21.1
151.11201	0.9
151.14774	0.8
153.12675	0.8
157.10191	0.7
159.11694	8.5
161.12012	0.7
161.13277	9.6
163.11198	0.9
163.14830	16.2
165.12714	0.7
173.13263	9.4
175.14870	3.8
177.16370	4.5
179.14311	1.6
187.14848	5.4
189.16338	0.7
191.14026	0.6
201.16365	2.0
205.10088	0.6
205.15874	0.8
214.97443	0.5
215.17967	1.7
217.19530	0.7
219.17453	0.7
233.22612	1.3
243.08017	0.8
243.21088	24.5
246.02489	0.5
261.09177	1.2
261.22147	100.0
262.22443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.00826	0.8
53.03954	0.8
55.01868	1.4
55.05519	5.1
56.96566	0.9
57.07084	6.7
67.05511	20.0
69.07068	7.6
69.20911	3.9
69.21344	3.3
71.05000	1.0
71.08618	3.7
77.03929	1.1
79.05078	1.4
79.05498	18.7
81.07063	15.6
83.04992	1.0
83.08609	3.1
84.79432	0.7
85.06567	5.7
85.10174	3.1
91.05486	15.7
93.06492	1.3
93.07052	21.4
95.04982	1.4
95.08620	15.0
97.06518	5.5
97.10139	1.4
99.08080	2.1
105.07038	10.8
107.08605	12.5
109.06475	0.9
109.10175	5.7
111.08070	4.2
111.11694	0.7
113.09673	3.7
117.07026	6.2
117.55499	0.7
119.08594	7.3
121.10155	22.9
123.08083	2.6
123.11710	2.7
125.09677	0.8
127.11186	1.8
129.06937	0.8
131.08572	24.6
133.10150	9.5
135.08061	5.5
135.11717	11.9
137.09615	1.6
137.13272	2.0
139.11172	1.2
141.12703	0.9
145.10133	17.3
147.11693	7.9
149.09636	8.9
149.13280	5.1
151.11137	1.2
151.14867	1.9
159.11693	11.1
161.13277	5.9
163.11237	3.8
163.14822	5.0
165.12704	1.0
171.67908	0.8
173.13278	11.2
175.14815	4.1
177.16399	8.9
179.14377	1.0
179.17848	0.9
187.14835	5.7
189.16428	1.0
193.15776	0.9
201.16374	2.8
203.18051	1.0
215.17961	2.8
217.19539	2.7
219.21078	0.9
233.19046	1.2
233.22685	2.7
243.21094	52.2
261.13052	3.2
261.22147	100.0
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
51.36802	0.4
53.03941	1.8
55.05270	0.8
55.05515	10.5
57.03428	1.1
57.07083	2.9
62.98557	0.5
65.03925	1.3
67.05510	35.4
69.06731	0.8
69.07071	9.6
70.96672	1.3
71.04984	1.5
71.08615	1.4
72.27810	0.5
77.03941	1.1
79.05499	40.5
81.07059	37.8
83.04987	0.5
83.08634	5.4
85.06532	2.5
91.04895	1.0
91.05482	19.2
93.07048	57.3
95.04964	2.3
95.08611	27.7
97.06540	2.8
97.10166	2.3
99.08099	2.9
105.07036	14.2
107.08598	38.0
109.06535	1.4
109.10163	11.5
111.08067	2.6
113.09632	1.3
117.07030	6.2
119.06046	0.6
119.08589	11.2
121.10147	37.0
123.08084	1.2
123.11717	4.1
125.09618	1.3
131.08580	10.4
133.10138	10.3
135.11696	27.2
137.09590	0.8
137.13257	1.7
145.09053	1.0
145.10124	11.8
147.11696	9.0
149.09659	0.8
149.12071	1.2
149.13264	23.3
151.11244	0.9
151.14857	0.8
159.11702	11.3
159.58044	0.6
161.13264	10.6
163.14827	13.9
165.12753	1.4
173.13278	8.5
175.14850	4.7
177.16391	4.8
179.14275	1.4
187.14818	5.5
187.16292	0.8
201.16467	2.8
205.15871	1.1
215.18010	1.6
217.19484	0.7
219.17383	1.4
233.22615	0.9
243.21088	27.7
261.22144	100.0
268.72134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05516	7.9
57.03438	0.8
57.07080	3.0
57.51198	0.4
59.05015	0.6
65.03937	1.5
67.05507	25.2
69.03435	0.8
69.07070	9.0
71.04976	1.6
71.08627	0.8
71.52116	0.8
73.34785	0.5
79.05496	35.7
81.03421	0.6
81.07060	30.6
83.04984	1.3
83.08623	4.2
84.08123	0.6
85.06528	2.3
91.05486	17.7
93.07048	49.5
94.42471	0.5
95.04955	2.1
95.08610	25.3
97.06519	1.8
97.10141	2.0
99.08076	2.3
105.04495	1.2
105.07037	13.0
107.08601	32.2
109.06528	1.7
109.09466	0.9
109.10159	11.3
111.08066	2.0
113.09631	1.0
116.74216	0.5
117.07031	4.1
119.08584	11.6
121.10148	29.4
123.08045	1.1
123.11700	3.1
125.09644	0.9
131.08569	11.4
133.10130	8.5
135.11699	24.5
137.09576	1.3
137.13266	1.2
145.10135	9.2
147.11682	8.2
149.09676	0.7
149.13264	19.5
151.11214	0.7
153.12859	0.6
159.11694	8.0
161.13268	9.4
163.14835	13.1
173.13266	6.7
175.14819	3.0
177.16345	4.8
179.14284	1.2
187.14835	5.5
189.16356	1.1
201.16386	2.3
203.17854	0.9
205.15884	0.9
215.17998	1.2
219.17450	0.9
233.22717	1.5
243.21106	23.4
261.13065	2.1
261.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03937	1.4
55.01869	0.4
55.05510	8.3
57.03427	0.9
57.07081	2.0
59.34974	0.2
65.03938	1.3
66.39339	0.3
67.05505	27.2
69.07069	8.3
69.07367	0.2
70.90565	0.4
71.05005	1.6
71.08629	0.7
73.79677	0.3
77.03943	0.9
79.05493	35.9
81.07056	31.9
83.04968	0.8
83.08620	5.2
85.06539	2.3
91.05479	18.1
93.07043	49.3
95.04978	1.7
95.08607	24.7
97.06554	1.6
97.10172	1.9
99.08083	2.7
105.04558	0.7
105.07034	12.7
107.08595	32.1
109.06512	1.2
109.10156	11.1
111.08090	2.2
111.11722	0.6
112.94209	0.3
113.09627	0.9
117.07018	4.4
119.06117	0.6
119.08584	10.6
121.10143	28.7
123.08075	0.9
123.11692	3.9
125.09615	0.8
131.08568	9.5
133.10130	9.6
135.08055	0.6
135.11693	23.5
137.09625	1.3
137.13263	1.0
138.53609	0.3
139.11211	0.5
145.10123	10.0
147.11697	7.9
149.13258	21.5
151.11185	0.6
151.14818	0.8
153.12769	0.3
159.11690	7.5
161.13246	8.9
163.11220	0.3
163.14825	14.5
165.12802	1.1
173.13258	8.2
175.14807	3.7
175.83392	0.3
177.16406	5.1
177.97380	0.3
179.14273	1.3
187.14799	5.6
189.16376	0.7
191.14357	0.6
192.74512	0.3
193.15996	0.4
201.16368	2.7
203.17908	0.4
205.15894	0.5
207.47621	0.3
215.17976	2.5
217.19588	0.3
219.17458	0.8
233.22632	0.6
243.21088	26.6
261.22131	100.0
262.22577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02388	0.4
53.03942	1.6
55.01870	0.4
55.05513	8.7
56.22493	0.3
57.03441	1.0
57.07080	3.0
59.05000	0.3
61.60222	0.3
65.03941	1.3
66.91447	0.3
67.05508	31.0
69.07070	8.3
69.23690	1.0
69.24097	1.9
71.04996	1.6
71.08631	0.9
74.45023	0.3
77.03937	0.9
79.05497	38.9
81.03390	0.6
81.07062	33.3
83.04961	0.4
83.08628	6.0
85.06540	2.8
91.04899	0.7
91.05486	19.3
93.07047	53.0
95.04978	2.4
95.08611	27.1
97.06542	2.5
97.10184	1.7
98.21480	0.6
99.08113	2.7
101.80146	0.3
105.04516	0.9
105.07036	12.8
107.08600	35.3
109.06531	1.1
109.10162	11.0
111.08089	2.1
113.09650	1.0
116.21372	0.3
117.07016	4.3
119.08585	11.2
121.10149	31.0
123.08097	0.6
123.11713	3.4
125.09639	0.9
131.08569	11.5
133.10141	9.7
135.08067	0.5
135.11696	26.5
137.09624	1.3
137.13263	1.1
139.11157	0.9
145.10127	11.8
147.11691	9.0
149.09665	0.8
149.13266	21.2
151.11209	0.6
151.14890	0.5
153.12785	0.6
157.10101	0.4
159.11693	8.0
161.13269	10.1
163.11177	0.6
163.14827	16.7
165.12752	1.2
173.13280	8.0
175.14815	3.1
177.12639	0.4
177.16393	4.3
179.14325	1.1
187.14827	5.9
189.16403	0.7
193.15878	0.4
201.16417	2.5
205.15909	1.1
210.87732	0.3
215.17993	1.4
219.17404	0.7
233.22675	1.3
243.21101	26.3
261.22144	100.0
262.22430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	Glu Leu
Peak:m/z	Relative Intensity
54.62021	0.6
56.05034	6.1
58.47732	0.7
69.07072	1.6
69.82765	2.2
70.06603	1.2
72.08158	0.9
84.04504	100.0
84.08145	5.1
85.02914	1.9
86.09706	87.4
87.10059	1.9
98.20719	0.9
98.97591	1.8
102.05545	14.5
129.06593	7.0
132.10204	47.8
141.06610	2.4
143.11821	0.8
144.12166	1.0
172.11592	0.9
197.12859	57.1
225.12317	5.7
243.13400	70.1
251.99355	0.7
261.14752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05503	1.5
57.07053	0.9
66.59465	0.5
67.05486	1.8
69.06706	0.5
69.07061	3.0
70.62827	1.3
72.46783	0.5
79.05462	1.3
81.07075	2.4
83.08588	0.8
85.02914	0.8
91.05457	2.1
93.07043	3.6
95.08626	3.6
103.05444	0.6
105.07056	2.8
107.08610	5.2
108.38358	0.5
109.10146	2.0
112.67146	0.5
117.07024	1.5
119.08576	7.1
121.10132	2.4
131.08574	2.8
133.10129	2.2
135.08096	0.6
135.11719	1.3
143.08543	0.7
145.10135	7.1
147.11676	1.8
147.32639	0.5
149.02357	0.7
149.13277	0.9
158.06088	0.6
158.88010	0.5
159.11719	6.6
161.13234	0.8
171.11691	0.6
172.12425	0.8
173.13304	6.6
179.10753	1.0
186.14014	0.6
187.14839	1.3
193.12314	1.3
201.08661	0.5
215.17969	100.0
243.17664	0.6
243.21159	1.0
261.18524	37.4
261.21899	2.1
270.10730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02798	0.5
54.11503	0.4
55.46739	0.5
56.05040	2.4
56.96569	1.4
58.06591	2.6
59.07386	1.2
59.41872	0.5
60.04520	0.8
60.44349	0.4
69.03429	1.1
69.07069	2.3
70.06599	89.4
70.25954	1.6
71.18075	0.5
72.08157	2.7
73.08492	0.5
74.06093	0.5
83.06129	0.5
84.04513	18.4
84.07637	1.0
84.08151	18.4
85.02942	1.3
85.08482	5.8
86.09711	30.4
87.05618	0.7
88.03997	0.9
89.37019	0.5
97.02927	1.4
98.97600	3.4
98.98492	1.3
101.00886	0.9
101.10828	0.9
102.05565	2.6
104.05292	0.7
110.07191	1.4
110.97633	0.5
112.08740	62.1
113.09077	0.6
114.05562	0.9
116.98684	0.9
118.08665	100.0
119.01923	1.9
119.08937	0.6
121.10182	0.5
127.33974	0.5
129.06622	1.7
129.10246	3.9
130.06509	0.9
130.08621	1.2
130.10655	1.0
131.01907	1.0
132.10214	7.0
133.03535	1.1
137.05960	0.8
144.11333	49.8
147.11267	1.4
148.06018	2.6
148.11613	1.0
161.03006	0.8
167.08157	0.6
172.04298	1.1
173.01172	0.5
173.02910	0.6
177.00705	0.8
197.12875	11.0
201.00673	0.8
201.02444	1.4
203.03984	0.7
219.01729	1.2
225.12408	0.7
229.16557	1.4
237.02705	0.7
243.13423	9.2
244.06487	0.7
244.13156	0.6
244.17334	0.7
261.02963	0.7
261.06198	0.9
261.09039	1.1
261.14560	2.8
261.19699	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1606
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05041	6.4
63.71228	0.7
65.19700	0.6
68.53362	0.7
69.07072	3.2
70.06592	3.0
71.01006	1.2
71.01355	1.4
72.08166	4.2
74.06065	2.0
75.05620	1.0
83.06105	35.1
84.04506	49.8
84.08145	38.1
85.02901	1.0
86.09706	100.0
90.05560	1.1
98.97586	2.4
101.07138	5.8
101.10737	1.5
110.07153	0.8
120.08058	0.9
127.90334	0.7
129.06616	3.1
129.10252	9.0
130.05026	1.1
130.08644	3.9
132.10207	19.7
135.84096	0.7
136.69514	0.8
141.06596	1.6
143.11803	5.7
144.06567	1.4
147.07683	2.2
147.11282	4.3
157.13361	16.5
161.09261	0.9
171.11324	4.0
185.12846	7.4
189.12405	2.6
196.14407	5.4
197.12859	21.5
204.13512	0.7
225.12425	3.3
242.15004	50.5
243.13411	27.5
243.17181	2.5
260.16235	3.9
260.19778	10.8
278.25513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1971
Annotation	H-Lys-Leu-OH
Peak:m/z	Relative Intensity
55.05507	1.0
56.05040	3.0
60.04532	0.4
67.05502	1.0
69.07063	1.7
69.80451	1.3
70.06601	1.6
72.07755	0.6
72.08159	12.1
83.06115	0.4
84.04509	7.2
84.08147	100.0
85.06538	0.5
85.08483	0.6
86.09708	26.9
97.02892	0.4
98.83697	0.3
98.97605	0.3
101.00880	0.3
101.07169	0.8
101.10782	2.9
102.09209	0.4
111.09174	0.3
112.07640	0.4
115.08684	0.3
116.07114	0.6
129.10248	15.2
130.05009	14.7
130.08644	6.3
131.01846	0.3
131.11833	0.8
132.10243	0.4
133.03400	0.3
137.06021	0.3
143.11804	8.4
144.10237	0.6
147.07652	19.3
147.11292	10.7
147.12469	0.5
161.09236	0.3
161.59573	0.3
165.28716	0.3
171.11288	3.4
173.09302	0.4
195.15088	0.3
197.16577	0.8
215.08224	1.2
225.15965	0.6
226.10829	0.5
226.14578	0.4
242.09241	1.1
242.18613	1.5
243.13342	1.5
243.17068	8.2
260.06613	0.3
260.10339	0.8
260.16226	5.4
260.19797	26.2
261.03159	0.3
261.05832	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05039	8.4
56.96560	0.5
57.06795	0.5
57.07077	9.8
58.06602	0.8
70.06606	0.6
71.08638	2.6
74.06084	21.4
84.08147	0.5
85.10166	1.9
88.07632	53.5
98.21552	0.8
102.05544	4.0
105.01106	0.3
116.07099	1.0
120.06577	4.8
122.17167	0.3
131.82944	0.3
154.93178	0.5
163.03856	0.4
172.94246	0.8
177.05605	0.3
190.95370	0.4
195.95897	0.5
204.13921	0.5
213.96899	0.8
214.21661	26.7
215.17953	0.6
242.21164	3.3
260.22217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	Glu Leu
Peak:m/z	Relative Intensity
50.69308	0.7
53.50086	0.6
55.05502	0.8
56.05030	5.9
56.96581	1.1
60.82537	0.6
69.07079	0.8
70.06583	1.6
71.19626	1.1
72.08151	3.1
72.08539	0.6
74.51216	0.7
84.04505	97.6
84.08141	23.8
85.02907	2.4
86.09706	100.0
87.10041	1.4
92.04453	0.7
95.16273	0.7
98.97595	2.0
98.98486	0.9
99.16458	0.6
102.05544	16.0
106.49928	0.7
110.07197	0.9
110.97619	0.7
113.07133	1.2
116.98656	0.8
129.06612	3.1
129.10306	0.7
132.10204	52.3
141.06609	3.5
144.06581	1.0
152.10712	1.3
158.06036	0.7
160.98836	2.2
162.05516	2.2
162.07607	1.6
164.07077	1.0
180.22595	0.6
189.34747	0.7
197.12859	58.6
219.01793	1.3
225.12297	7.3
243.13406	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01431	0.4
70.01839	0.4
74.09720	12.8
78.57867	0.2
80.99545	0.3
82.10271	0.1
96.00350	0.2
96.07896	2.8
98.21614	0.2
114.08926	1.5
136.94070	0.4
140.06825	100.0
141.07187	0.2
148.93942	0.2
166.13924	0.2
174.93483	0.1
231.16797	0.3
257.14731	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	258.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11002	0.4
55.05516	0.7
57.07076	10.8
58.06588	1.7
62.05795	0.5
62.06091	7.4
71.08637	6.1
71.51604	0.5
85.10185	2.1
95.83338	0.5
96.08900	0.4
98.21534	0.4
132.08914	0.5
156.87749	0.4
169.03423	0.5
182.27301	0.5
205.27991	0.4
240.26854	5.9
249.19913	0.4
258.27924	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
56.05038	2.5
56.96563	0.8
57.03389	0.5
67.05507	0.8
69.03424	1.1
69.07123	0.6
69.28031	4.9
70.06593	3.5
71.04983	0.5
71.08633	13.6
72.08161	0.6
79.05508	0.7
81.07053	1.6
83.05688	0.5
83.06116	2.5
84.04506	76.9
84.08153	1.1
85.02898	2.0
86.06084	1.2
86.09696	1.4
88.11269	100.0
91.05473	0.6
93.07050	1.1
95.08598	2.2
98.06055	43.2
98.97615	1.6
102.05555	2.1
105.03376	0.7
109.10151	0.7
114.05486	0.5
121.10155	1.1
126.05508	5.2
130.05002	72.6
153.13872	16.2
153.15054	1.2
154.12267	47.6
170.15393	1.8
171.14931	37.1
172.06049	12.2
173.07114	1.8
199.14420	28.6
200.12813	25.4
213.15984	28.8
217.15468	17.6
223.14407	0.7
229.92896	0.5
235.20474	0.6
241.15480	15.3
259.13785	1.5
259.16553	29.1
259.19562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	3.0
56.96561	2.3
65.49386	0.7
67.05451	0.7
69.61324	1.7
69.61732	2.5
70.06591	2.1
71.08238	1.1
71.08632	19.9
72.08144	1.1
81.07040	0.8
83.06108	8.0
83.62199	0.7
84.04505	100.0
84.08142	2.5
84.35622	0.7
85.02913	2.2
86.09714	2.5
88.11271	82.5
89.41749	0.6
91.05508	1.2
93.07013	0.8
98.06068	8.0
98.97596	1.1
102.05553	2.6
110.09799	0.6
114.05496	0.9
126.05509	5.8
126.16346	0.7
129.06581	1.6
129.10231	1.4
130.05006	80.7
136.98026	0.6
151.00648	0.8
153.13873	16.4
154.12270	70.1
156.04477	2.4
171.07814	0.9
171.14932	35.8
172.06050	11.2
173.07114	6.1
194.99777	1.7
199.14423	26.6
200.12825	22.7
213.00748	1.9
213.15974	33.3
217.15491	19.5
222.83995	0.7
241.15471	15.4
259.07666	1.4
259.10687	1.1
259.16565	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	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05499	16.0
56.96565	12.6
57.03431	3.5
57.07057	7.3
60.03366	3.6
63.27100	3.8
67.05528	18.4
69.07074	40.6
69.85062	15.0
71.04998	40.3
79.05504	8.9
81.07061	30.7
83.04980	8.2
83.08608	15.2
85.06538	26.3
91.05492	7.3
93.07034	17.0
95.04951	6.3
95.08613	24.2
97.06541	5.2
98.21451	6.0
105.03407	8.3
105.07049	30.0
107.08603	29.8
109.06495	17.1
109.10149	19.9
109.52068	3.7
111.08076	20.2
117.07023	8.4
119.08586	66.5
121.10123	15.9
123.11733	28.6
129.01878	5.8
129.06964	6.6
131.00125	8.4
131.08536	14.8
133.10146	36.6
135.08054	21.9
135.11703	5.0
137.09656	4.3
143.08493	10.6
144.09383	4.9
145.10121	37.8
147.11714	23.4
149.01239	14.5
149.13185	9.8
157.10126	9.9
159.11700	34.5
161.13234	43.9
166.01332	3.6
171.11703	16.5
173.13306	12.4
175.11185	5.7
175.14835	100.0
177.12706	4.8
185.11774	3.8
185.13246	22.2
185.15410	3.3
189.12726	5.4
189.16348	7.5
191.19440	3.5
197.11855	20.2
197.62108	6.8
199.14807	5.5
201.16385	27.7
203.14339	7.3
206.12502	3.6
217.19545	6.9
217.63246	11.3
241.19511	21.6
259.20593	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
55.05503	1.4
56.05033	4.4
57.03430	0.9
60.04535	0.7
67.05508	0.9
69.03423	0.9
69.07072	3.0
70.06596	4.7
70.24795	0.8
70.25163	0.9
72.08159	9.5
73.02921	0.8
74.09726	0.5
77.67128	0.4
79.37044	0.4
81.04605	0.5
83.06107	10.2
84.03992	0.9
84.04508	22.6
84.08146	100.0
85.02914	2.0
85.06554	0.7
86.09708	46.1
88.03985	0.5
97.02879	0.8
98.97602	0.5
100.07628	0.4
101.00882	1.2
101.07135	2.5
101.10789	3.0
102.05538	0.7
109.02901	0.5
112.07620	0.6
112.08720	0.7
115.08688	0.4
116.07114	1.1
118.08660	2.2
119.01928	1.6
127.03932	0.6
129.06615	1.0
129.10249	15.5
130.05002	14.8
130.08643	6.3
131.11816	0.9
132.10211	5.6
133.03438	0.7
137.06010	1.1
143.01877	0.6
143.08141	0.4
143.11804	7.7
145.05009	0.5
147.07648	20.3
147.11278	10.4
155.08249	0.6
157.13400	1.4
161.03032	0.5
169.55399	0.5
171.11298	3.0
173.03021	0.6
173.09196	0.5
175.04637	0.5
178.07516	0.5
185.12827	0.6
189.12199	0.5
191.68878	0.4
195.05109	0.5
196.14473	1.2
197.12859	5.3
197.16493	0.7
200.07646	4.1
215.08192	1.2
218.08743	3.1
225.12445	1.0
226.14404	0.5
237.02615	0.5
237.06404	0.7
242.09312	1.4
242.14995	13.2
242.18668	1.0
243.13475	8.9
243.17114	7.4
260.05313	0.9
260.07883	0.8
260.10394	1.1
260.16229	7.3
260.19778	26.9
261.05872	0.9
261.14426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0971
Annotation	Ketorolac
Peak:m/z	Relative Intensity
55.01875	0.2
55.05494	0.4
56.57359	0.1
56.96562	0.3
57.03437	0.2
58.06604	0.7
60.04535	0.2
60.05643	0.2
63.22635	0.2
65.03916	0.2
69.03413	0.2
69.07062	0.5
70.06596	2.4
70.30099	0.3
70.30431	0.2
71.04980	0.3
72.08155	1.6
74.06064	0.2
79.05499	0.7
81.07042	0.2
84.04490	0.5
84.08148	3.5
85.02899	0.2
86.09708	3.0
89.03915	1.2
91.05486	3.7
95.04967	0.1
95.86365	0.1
96.02350	0.1
96.16087	0.1
98.06034	0.4
98.21422	0.2
98.97604	0.4
102.05492	0.2
105.07069	0.2
106.06566	1.4
107.04979	0.8
109.06521	0.4
109.07719	0.2
110.07171	1.3
112.08712	0.6
112.11246	5.6
114.05524	0.2
115.08688	0.2
116.04983	2.0
116.07088	0.2
117.03397	0.9
118.06552	0.2
119.04949	5.2
119.05798	0.3
120.04465	0.5
120.05222	0.2
120.08086	0.4
123.53023	0.1
124.03945	0.3
124.05085	0.1
124.11208	0.2
126.10234	0.2
127.04001	0.1
129.10245	0.5
129.12979	0.2
129.13890	3.0
131.04900	0.2
132.95869	0.1
133.05251	0.2
134.06029	4.2
135.04425	4.8
136.03897	0.2
136.07558	0.1
137.05988	1.6
140.08212	0.2
144.04460	0.5
145.02827	0.8
146.05984	0.6
147.04419	12.5
148.04736	0.4
156.07669	0.2
157.10855	0.6
162.05515	8.3
163.02576	0.3
163.03917	5.3
165.06969	0.3
167.07060	0.4
169.13350	0.4
177.05486	0.2
182.09700	0.3
192.03293	0.2
196.06059	0.3
203.22195	0.3
204.10236	0.5
210.09113	0.4
211.15489	0.2
213.05388	0.2
220.09669	0.9
224.05562	0.2
227.11813	0.2
228.10095	0.4
228.12149	1.2
228.18195	1.0
229.08551	0.3
238.08583	0.3
238.10826	0.3
239.07079	0.5
241.07317	2.4
256.09686	100.0
256.26401	0.4
257.10049	0.6
257.12860	1.2
275.17426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1331
Annotation	Carbazomycin A
Peak:m/z	Relative Intensity
55.05517	0.6
65.03926	1.2
69.03425	0.3
70.06594	2.6
71.51340	0.4
72.08149	1.0
73.02899	0.3
75.04467	0.4
79.05505	0.4
83.06116	1.1
84.04539	0.3
84.08165	1.4
86.09710	1.9
88.83929	0.2
91.05488	100.0
98.97586	0.6
100.15227	0.2
103.05466	0.4
105.07037	3.0
107.04977	0.4
109.07663	0.5
110.07189	1.6
112.08715	0.4
112.11272	1.0
115.05472	4.3
116.04945	0.3
117.03410	0.3
119.04954	1.3
120.08111	0.9
123.04441	11.5
126.10240	0.3
128.06236	0.7
129.07007	10.2
129.13899	0.7
130.04185	0.4
131.04973	0.3
133.06477	1.0
134.05988	0.4
135.04436	0.9
137.05943	1.3
143.04935	7.6
145.02878	0.5
147.04405	3.7
148.05206	2.3
156.07501	0.3
157.10852	0.4
161.05994	14.0
162.05519	0.6
163.03964	1.4
164.07077	4.4
165.07004	0.7
165.09094	0.6
167.07381	0.4
171.02951	0.4
174.96634	0.3
178.07793	3.8
179.08539	0.6
181.10040	0.3
193.10158	4.4
202.07785	0.9
203.08577	1.6
207.08217	0.2
210.06786	1.0
211.07504	0.4
216.83565	0.3
219.08003	0.5
221.09622	5.5
224.08357	0.9
228.10162	0.4
228.12221	0.4
228.18213	0.8
231.09200	0.3
239.10678	36.4
240.11119	0.3
256.09888	7.8
256.13351	66.3
257.13065	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
55.05515	1.1
57.07076	5.0
58.07389	1.4
67.01859	1.9
67.05492	2.0
68.99783	1.2
69.07069	1.0
70.06599	9.2
71.06920	2.6
71.08612	1.9
71.45511	1.0
72.08138	1.4
78.01146	0.7
79.05476	2.8
81.07059	1.5
83.08614	1.1
88.07635	13.5
89.07954	2.6
91.05495	3.7
93.07039	0.8
95.08610	1.1
102.09193	10.2
103.05475	19.2
103.09509	3.0
105.03414	0.8
105.07004	1.0
107.04957	2.7
107.60683	0.7
109.10136	0.8
117.06995	2.8
119.08545	0.8
121.10149	0.9
129.07013	1.5
131.04936	40.6
131.08597	2.0
139.01813	0.8
143.08578	1.5
145.06418	1.0
145.10132	3.7
147.08070	0.9
151.03922	2.0
153.01834	88.6
155.08524	1.5
156.25948	0.8
157.10114	0.8
159.11702	2.0
162.03458	1.2
169.10144	0.9
171.02864	1.8
171.11664	1.0
173.05960	3.5
173.13219	0.8
183.11690	1.1
185.13234	1.8
197.13283	3.0
215.07040	1.7
215.52640	0.7
239.18057	1.5
256.26358	20.6
257.08093	100.0
257.15363	1.9
257.19061	5.4
257.26694	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.232
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.97752	2.8
55.01865	4.3
55.05279	3.2
55.05515	56.9
56.46754	3.0
56.96560	6.3
57.07074	71.0
59.04992	3.9
67.05508	35.4
69.03416	5.6
69.07069	100.0
69.72708	4.5
69.73123	13.5
71.05000	3.6
71.08640	45.9
72.10003	3.1
73.06520	4.3
79.05494	21.7
81.07058	68.4
82.68570	3.4
83.04957	8.7
83.08153	5.9
83.08618	78.1
85.06544	8.8
85.10179	24.5
91.05488	6.3
93.07047	38.0
95.08604	43.5
97.06535	28.9
97.10177	50.5
98.98475	36.4
100.17318	3.4
101.06034	3.7
101.77302	3.4
105.07011	3.8
107.08592	33.4
109.10138	26.1
111.08090	23.0
111.11719	10.6
115.07580	9.3
121.10153	34.4
122.25485	3.5
123.11691	14.2
125.09667	20.8
129.09111	5.9
130.12271	3.7
135.11700	47.6
137.13246	9.7
137.51903	3.6
139.11180	19.3
149.13229	33.5
153.12798	17.3
153.13853	3.0
163.14850	24.8
165.16437	3.4
167.14307	13.8
171.13797	4.6
177.16478	5.9
181.15898	6.3
185.15434	5.0
193.29198	3.4
209.11604	4.9
214.21657	39.3
219.21068	62.1
219.23079	5.0
237.22108	37.4
255.07791	7.7
255.21075	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	255.2321
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
51.73690	6.5
55.05514	61.7
57.03432	5.3
57.07077	73.3
67.05502	28.4
69.06730	9.2
69.07069	100.0
71.08633	45.0
71.53635	6.5
73.06580	6.5
74.14734	5.6
79.05497	21.1
81.07063	59.0
83.04981	10.6
83.08626	69.4
85.10184	19.9
91.05488	7.0
93.07039	42.2
95.08610	28.1
95.09176	6.0
97.06524	21.6
97.10191	39.5
98.98453	22.1
101.05981	7.2
107.08612	33.9
109.10169	19.4
111.08076	10.6
111.11698	9.1
112.23302	7.1
121.10178	30.5
123.11684	12.1
125.07809	5.7
125.09643	16.7
125.57125	6.2
135.11745	33.6
139.11188	19.0
143.55449	6.2
149.13297	20.9
153.12717	12.6
163.14816	15.4
167.14302	12.8
181.15939	9.7
209.11819	10.9
219.21078	46.8
237.22137	30.0
245.00212	7.1
255.06358	8.7
255.21077	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	255.119
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07063	3.3
69.51178	3.5
69.51602	2.8
72.08170	1.2
77.23435	0.8
78.04669	0.8
82.99857	3.2
84.08125	1.0
85.95748	0.8
86.09709	39.7
92.33582	0.8
94.07174	0.9
97.06532	5.2
97.07101	1.1
100.02529	1.1
101.00882	22.8
101.01505	1.5
110.07175	8.3
113.00894	0.8
118.03520	2.5
119.01064	1.6
119.01920	29.4
123.05558	2.8
131.01974	1.1
137.02983	4.5
144.08649	1.3
154.03441	1.3
155.05562	1.2
156.07652	2.8
168.08731	3.7
172.04553	1.0
178.23317	0.9
186.09767	36.0
196.08148	1.2
197.06641	2.3
202.50693	0.8
204.10843	7.4
214.09256	48.0
215.07706	1.9
222.48531	1.1
232.10312	100.0
255.11969	2.0
255.14507	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2319
Annotation	Actinopolysporin C
Peak:m/z	Relative Intensity
53.03926	6.1
55.01852	7.6
55.05280	4.5
55.05515	59.9
56.96548	4.5
57.03419	4.4
57.07079	70.8
59.04985	4.4
67.05513	30.7
69.07070	100.0
69.52768	11.4
69.53197	10.2
71.04971	6.5
71.08302	3.6
71.08636	49.0
73.06545	4.0
74.33719	3.0
78.96939	3.3
79.05502	27.7
81.06600	3.9
81.07057	64.8
83.04971	7.6
83.08624	69.4
84.50359	3.4
85.02975	2.9
85.06573	6.4
85.10181	26.1
87.08065	3.3
91.05485	8.8
93.07041	46.8
95.05005	3.7
95.08607	50.1
97.06534	33.9
97.09578	4.1
97.10169	53.2
98.97606	2.7
98.97829	3.6
98.98463	36.5
99.08098	6.9
101.06031	4.0
105.07050	5.0
107.08595	40.0
109.10164	26.0
111.08086	20.4
111.11688	12.3
115.07543	7.2
115.11090	3.2
121.10159	35.3
123.11715	15.8
125.09650	21.2
127.03916	4.7
131.08554	3.6
133.10133	4.2
135.11717	42.4
137.13240	7.8
139.11214	17.7
143.10686	6.4
145.10078	3.3
149.13255	28.3
151.14891	2.9
151.98409	3.1
153.12727	15.5
157.12184	4.3
163.14842	21.3
165.06683	3.5
167.14299	10.9
171.13773	4.0
176.98943	3.4
177.16383	7.4
181.15833	7.7
187.77887	3.0
190.95316	3.6
195.06419	5.1
195.17310	4.1
199.40041	3.7
209.11699	8.3
219.21075	55.4
223.12119	3.6
237.22096	35.2
255.07611	6.5
255.17424	5.1
255.21021	8.7
255.23241	6.7
255.27898	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	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03945	4.0
55.01867	2.3
55.05515	75.4
56.96569	9.8
57.03434	3.0
57.07079	18.6
62.32673	1.7
65.03950	3.6
67.05508	62.7
69.03439	2.1
69.07071	100.0
69.84795	2.2
70.06595	2.2
70.14812	4.3
71.05000	5.5
71.08623	5.0
77.21564	1.8
79.05501	27.2
81.07059	95.1
83.04993	6.7
83.08621	77.6
85.06521	9.1
85.10186	4.3
91.05485	26.6
93.07048	41.6
95.04985	3.6
95.08612	93.3
96.12840	1.7
97.06529	15.8
97.10173	60.7
98.98472	92.3
99.08092	12.9
105.07025	26.0
107.08596	28.9
109.06515	3.3
109.10159	37.7
111.08048	10.6
111.11732	20.0
113.09652	4.7
119.08599	27.6
121.10147	44.9
123.08083	4.9
123.11704	16.5
125.09649	7.7
125.13289	6.8
127.07599	2.4
127.11276	2.0
133.10141	30.7
135.11696	42.3
137.05983	2.2
137.09605	10.5
137.13255	11.4
139.11186	10.6
143.03146	1.8
147.11682	26.4
149.13293	8.6
151.11150	9.0
151.14819	5.8
153.12755	7.7
161.13245	22.0
163.14824	2.0
165.07092	2.0
165.12759	12.6
167.14308	2.1
169.12216	2.2
171.13820	3.5
175.14845	7.8
176.98875	2.0
177.16367	3.3
179.14348	7.5
189.16277	2.0
191.18024	5.2
193.15862	2.7
193.19543	9.5
197.11713	3.2
207.13750	2.3
210.72964	1.9
217.19513	52.2
217.21619	3.3
235.13387	3.8
235.20578	44.2
253.04939	3.6
253.08783	3.8
253.21629	49.4
253.24132	4.1
270.99548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
56.05023	1.5
57.03426	1.8
58.06604	1.0
61.02925	1.6
66.95929	1.2
69.03423	3.0
69.94820	1.2
69.95110	5.1
70.06599	2.1
72.08144	3.5
73.02901	1.7
74.06064	1.2
74.82702	1.0
76.36143	0.9
81.07059	0.8
82.69074	0.9
83.04977	1.0
83.06100	5.0
84.08131	1.1
85.02900	4.5
86.09714	1.0
91.05448	1.1
93.04521	4.2
94.06556	2.2
95.06116	1.4
97.02908	2.0
98.20765	1.8
98.98466	2.7
101.00893	2.1
107.01758	1.0
109.02875	1.1
110.07175	63.5
112.05074	1.3
115.02465	1.3
118.08658	3.4
119.01907	4.3
119.04913	1.3
120.08154	1.2
123.05531	7.7
124.03888	1.5
127.03914	1.4
127.39091	1.1
131.01874	1.0
137.06032	1.6
138.05511	100.0
142.03549	1.2
142.38925	0.9
143.01898	1.5
146.03635	1.0
156.07677	9.4
156.97513	2.5
164.04623	1.4
164.11884	2.1
170.99045	2.5
171.06659	1.1
174.98584	1.1
182.99080	1.9
185.02983	1.2
186.74347	1.0
198.59244	1.0
198.98276	1.1
209.14037	3.4
213.00107	2.5
231.01187	1.8
232.10277	1.6
237.13513	3.4
255.06212	9.7
255.08484	1.3
255.10754	1.3
255.14546	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	253.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62037	0.6
53.03949	0.6
55.01863	0.7
55.05510	5.0
56.96549	0.6
57.07077	0.6
65.03943	0.8
67.05513	1.7
69.07067	1.0
71.04994	25.1
74.48930	0.5
79.05488	3.4
81.07053	2.0
83.04499	0.7
83.04984	10.8
84.08143	0.7
89.05496	0.5
89.06018	1.7
91.05481	9.3
93.07044	1.2
95.04971	0.7
95.08615	1.1
97.06539	0.8
98.20680	0.8
98.97792	1.0
98.98466	38.7
101.06013	7.4
105.07025	8.4
107.08593	86.8
109.06522	3.2
109.10190	0.8
114.39331	0.5
119.06089	1.9
119.07070	6.6
119.08582	41.9
121.10223	0.8
135.08055	100.0
138.21718	0.6
147.11676	0.6
161.13292	0.9
165.07014	0.7
174.99214	1.2
176.98953	1.2
197.11720	0.9
207.13712	1.0
211.05118	0.8
225.09039	0.8
235.13208	0.8
253.06326	0.9
253.08525	2.9
253.14333	1.8
253.19652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.18
Annotation	Trichodiol A
Peak:m/z	Relative Intensity
52.91312	1.1
55.01665	1.0
55.01878	10.3
55.05513	15.6
57.03436	2.3
57.07072	4.7
66.83450	1.0
67.05508	12.1
69.03408	3.1
69.07072	28.6
70.06564	1.7
71.04997	2.9
71.52069	1.9
73.02921	1.1
79.05161	0.9
79.05508	9.9
81.03378	1.2
81.07058	61.1
83.04497	1.5
83.04987	27.8
83.08636	8.4
84.08146	1.9
85.02887	2.4
85.06553	6.7
91.05489	9.3
93.07040	17.1
95.04964	3.5
95.08611	45.0
97.06516	9.1
97.10163	4.6
98.98468	62.9
99.08115	1.2
105.07037	53.5
107.08595	16.5
109.06493	5.8
109.10150	10.7
111.04482	5.3
111.08093	8.2
111.11716	22.5
113.06020	1.5
116.99533	1.1
119.07807	1.9
119.08594	24.4
120.08134	1.3
121.10149	15.5
123.08078	5.3
123.11694	6.6
125.09632	3.0
129.05487	36.8
133.10124	14.8
135.11699	11.5
137.09668	2.2
137.13257	24.0
139.07536	4.8
143.07010	2.0
143.08528	1.1
145.10179	1.2
145.33444	1.0
147.11688	4.6
149.13229	1.1
151.11218	2.0
151.14810	3.5
153.09099	4.5
157.08598	9.1
159.11714	11.5
161.13263	100.0
164.03992	1.3
165.07039	1.8
165.09146	2.9
171.10216	1.8
174.99184	2.3
175.11327	1.6
175.14821	1.4
179.10683	2.8
179.14330	23.7
189.16406	12.1
197.11671	1.2
199.14824	4.2
207.17415	4.4
217.15883	16.8
221.05986	1.7
235.16940	41.2
253.08563	3.9
253.14104	37.6
253.17995	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	252.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
56.05029	0.4
56.96558	0.7
57.03775	0.3
65.45638	0.3
69.03430	0.4
69.07065	0.5
70.06598	1.5
71.24148	0.6
72.07755	0.5
72.08157	9.5
73.06556	4.8
75.20090	0.3
79.05470	1.1
81.89162	0.3
84.04515	1.5
84.08148	3.1
85.02950	0.3
86.09719	3.1
87.10068	0.3
89.03431	0.3
89.03926	4.5
90.09197	34.5
91.05479	0.8
97.02898	0.3
98.97595	0.8
98.98470	1.5
107.04978	2.1
110.07160	0.5
110.97604	0.3
117.03387	9.8
119.04890	0.6
120.08110	0.7
129.10258	1.5
135.04424	17.2
137.05946	0.3
144.06590	0.5
145.02858	15.8
147.04413	0.7
151.07549	0.4
156.07690	0.3
163.03909	100.0
164.04231	1.3
164.07117	0.4
177.05464	1.5
180.05397	0.7
234.11288	0.6
252.07491	0.5
252.09996	0.5
252.12437	4.1
252.16083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1185
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
50.01633	0.5
50.96841	0.4
56.05029	0.7
60.04529	62.3
67.05561	0.5
69.07076	0.7
70.02974	0.7
70.06601	2.3
70.80074	1.2
72.06923	0.4
72.08170	1.4
76.55688	0.5
84.04507	1.5
84.08135	3.0
86.09716	2.3
87.05590	2.5
91.05501	0.7
93.07074	0.5
98.97591	0.8
98.97723	0.8
98.98472	11.2
103.05451	3.0
107.04996	1.2
110.07159	2.4
120.08111	100.0
129.10233	1.3
131.04951	2.9
132.08116	0.9
136.06186	0.6
136.07640	0.8
144.06461	0.6
144.08093	2.6
149.06004	1.7
160.07654	0.7
162.09161	2.7
165.04422	1.0
166.08646	69.1
206.08156	0.6
207.11293	18.9
235.10675	4.0
253.11844	18.3
253.14526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1232
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
52.19139	0.3
55.05513	2.8
57.07076	0.4
60.34467	0.3
64.83774	0.4
70.06599	1.7
70.62742	1.0
71.59315	0.4
72.08159	11.2
73.06556	3.8
77.70515	0.3
79.05496	1.7
81.07033	0.5
83.88290	0.4
84.04527	0.5
84.08129	1.5
85.02930	0.5
86.09700	2.7
88.03990	1.4
89.03915	4.7
90.09197	28.5
91.05486	2.1
98.98466	1.6
103.05497	0.4
104.03462	1.0
106.06561	0.7
107.04963	4.0
117.03385	8.3
117.07000	0.8
118.06550	0.4
120.08103	0.9
121.08417	0.4
129.10268	0.7
130.06512	0.5
131.04959	0.7
134.04515	0.8
135.04420	15.8
136.06186	6.7
137.06030	0.5
145.02853	14.8
145.04015	0.7
145.06464	1.8
146.06032	0.6
148.19572	0.4
149.05923	0.8
161.05997	1.1
163.03908	100.0
163.07481	2.2
164.04248	1.1
164.07088	3.4
175.07574	0.3
177.05470	2.7
180.10220	1.7
180.77225	0.4
187.10863	0.6
192.06531	0.5
204.15538	0.4
206.09717	0.8
217.12216	0.7
219.01564	0.4
221.41103	0.3
234.09221	0.7
234.11429	0.4
234.13234	0.8
234.15190	0.7
237.07889	0.4
252.10199	11.8
252.12325	2.4
252.14487	2.5
252.16000	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	252.1232
Annotation	Rigidiusculamide A
Peak:m/z	Relative Intensity
55.05511	2.9
69.76904	1.2
70.06609	1.3
72.08162	9.8
73.06178	0.5
73.06561	5.3
73.08482	0.3
79.05503	1.1
84.04509	1.1
84.06702	0.3
84.08148	3.0
86.09718	3.3
89.03926	5.3
89.10798	0.4
90.09200	35.4
91.05481	0.4
98.97595	0.5
98.98485	1.1
107.04965	2.1
114.87699	0.3
117.03388	9.2
117.07001	0.3
120.08141	0.3
129.10271	1.2
130.05037	0.4
135.04424	19.5
137.05963	0.3
145.02853	14.6
145.06529	0.3
161.06006	0.5
163.03914	100.0
164.04248	2.7
164.07106	0.7
180.05557	0.3
203.43828	0.3
215.67111	0.2
235.11618	0.3
252.07857	0.3
252.10213	0.5
252.12329	4.0
252.14369	0.4
252.16357	0.5
252.83382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.4
59.78659	0.3
65.60728	0.4
66.58597	0.4
70.02964	0.7
70.03963	1.0
70.04350	1.0
70.06586	1.3
71.05010	0.5
72.08163	1.0
78.57919	0.5
79.05468	0.5
81.89372	0.4
84.04510	0.6
84.08153	1.8
86.09705	1.5
87.00832	2.8
90.09201	0.6
91.05513	1.6
93.07074	0.9
98.20862	0.5
98.98457	0.9
99.10068	0.4
103.05463	6.5
107.04964	1.0
118.06547	7.7
120.08110	100.0
126.08023	0.4
128.04959	1.1
129.10265	0.7
131.04932	1.2
136.06200	1.4
136.07588	0.9
146.06018	17.3
148.07558	0.4
163.03911	1.5
164.04298	0.8
164.07086	0.8
166.08617	2.2
188.07080	18.0
192.06618	1.6
206.08133	72.4
234.07515	1.9
235.19225	0.5
241.55515	0.4
252.10205	1.5
252.14485	0.9
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	N-Feruloylglycine
Peak:m/z	Relative Intensity
54.29489	0.4
56.05041	0.7
60.04543	0.4
64.75097	0.3
69.07080	0.4
70.06598	2.2
71.51092	0.3
72.08152	1.6
79.05508	0.9
81.07058	0.7
84.04508	1.2
84.08144	2.4
86.09707	2.4
87.00832	2.7
91.05459	1.9
93.07053	1.1
95.04979	0.6
95.08569	0.4
98.97559	0.7
98.97903	0.3
98.98473	3.0
103.05474	6.9
104.03468	0.9
105.03448	0.5
107.04963	1.8
109.13590	0.4
110.07186	0.6
118.06543	8.7
119.04968	0.5
120.08107	100.0
121.06496	0.4
121.08408	0.6
128.04944	1.0
129.10245	1.5
131.04935	0.8
136.06171	4.6
137.05984	0.9
144.08084	0.5
145.02795	0.4
145.06517	0.7
146.06013	17.8
147.04509	0.4
149.05981	0.6
151.07585	1.8
161.05977	0.5
163.03941	1.1
163.07492	0.6
164.04254	1.5
164.07054	1.4
165.04561	0.9
166.08641	2.4
188.07065	18.3
191.07120	0.5
192.06561	1.9
206.08127	71.7
207.08313	0.5
216.06512	0.5
223.07465	0.8
234.07573	2.0
234.11340	0.6
234.13460	0.5
235.12181	0.4
252.06364	0.5
252.08467	0.7
252.12292	1.1
252.14624	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1092
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.85250	0.1
55.05499	0.4
56.05052	0.2
57.03434	0.2
69.03413	0.5
70.06588	0.5
71.04996	0.8
71.44970	0.3
71.45335	0.2
72.08156	1.1
73.02931	0.8
79.79100	0.1
81.03421	0.3
84.04498	0.3
84.08144	1.0
86.09708	0.8
94.04062	0.5
99.04453	1.2
117.05487	2.1
119.03555	1.1
120.58920	0.3
129.10242	0.4
136.06192	100.0
137.04610	0.4
145.96419	0.2
163.03929	0.5
164.04231	0.9
186.96901	0.2
207.99487	0.2
235.11719	0.3
252.10855	2.7
252.13910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03934	2.5
55.01870	2.5
55.05511	6.6
57.03435	1.4
57.38934	0.6
59.04998	1.0
62.71798	0.7
65.03937	1.8
67.05509	23.5
69.07076	7.5
71.04985	2.3
71.51933	1.0
72.08160	1.4
76.71832	0.7
79.05498	29.2
81.03416	3.4
81.07061	30.8
83.04980	2.8
83.08627	2.5
85.06550	1.9
91.05486	43.3
93.07048	17.4
95.04967	6.2
95.08610	13.4
97.06527	1.5
97.10151	0.8
98.98473	100.0
100.26354	0.7
103.05489	3.1
105.04513	1.2
105.07038	32.1
107.04961	10.5
107.08604	8.9
109.06515	7.0
109.10167	4.6
111.04374	0.9
111.08064	0.9
115.05502	1.2
115.46909	0.7
116.99512	2.0
117.07034	12.2
119.08587	24.6
121.06544	3.5
121.10133	4.2
123.08060	1.2
123.11687	1.1
125.40898	0.7
128.06264	1.5
129.07024	3.9
131.08578	22.4
133.06529	3.2
133.10136	7.3
135.08060	3.1
137.09641	1.3
140.01019	1.0
141.07024	2.7
143.08554	2.5
145.06516	0.9
145.10120	6.6
147.08060	2.0
147.11703	1.2
149.05905	1.1
149.09642	2.1
151.11110	0.7
153.09143	0.7
155.08562	3.9
156.96675	0.8
159.08080	1.7
159.11731	2.3
161.18745	0.7
163.03923	5.9
169.10170	2.7
171.11760	4.4
171.12958	0.8
173.09634	0.8
173.13266	5.3
174.99249	5.5
181.55684	0.7
187.11194	1.8
187.14807	5.0
197.13272	3.8
205.15948	3.6
215.14383	3.0
233.15387	26.9
234.11243	1.4
251.13898	1.8
251.16502	2.2
251.20145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.2
56.05037	0.6
56.96558	0.4
59.93542	0.4
63.02405	0.5
65.03939	0.8
67.60924	0.4
67.71449	0.4
69.07068	1.1
69.17741	3.3
70.02959	2.9
70.06591	2.8
72.08156	13.4
72.08548	0.8
73.06554	3.4
74.02443	24.2
74.06057	0.4
78.69263	0.3
79.05500	1.2
81.07060	0.7
84.04508	1.6
84.08145	5.7
86.09708	6.5
88.03994	46.3
89.03912	4.4
89.04419	0.5
89.10792	0.4
90.08627	0.9
90.09199	25.1
91.05483	100.0
93.07040	0.4
98.98460	3.1
99.00816	0.8
100.63630	0.4
102.05531	0.4
105.03412	0.6
107.04954	2.5
110.07187	0.8
116.03458	16.3
117.03394	7.8
120.08092	0.5
129.10248	2.6
130.05028	0.5
132.10106	0.4
133.06537	0.5
134.04492	67.5
135.04416	16.5
136.06186	18.8
136.07445	0.6
136.07642	0.8
137.05974	0.8
145.02847	14.4
146.06009	0.4
149.05986	0.4
152.05757	0.6
154.77895	0.4
161.05945	0.7
163.03906	96.7
164.04288	1.9
164.07094	0.4
165.04515	0.6
170.85770	0.4
177.05447	1.6
186.05511	0.4
192.06552	0.8
193.08574	0.7
194.08264	0.4
205.98857	0.4
206.08121	2.4
224.08118	0.5
234.07578	5.8
234.11368	0.5
234.13411	2.4
252.08347	1.4
252.10179	3.4
252.12302	3.7
252.14546	12.7
252.99103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1394
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.95026	0.3
69.93761	0.7
69.94154	0.5
70.06651	0.9
72.08163	27.8
79.05523	0.6
84.08188	0.8
85.02958	0.3
86.09727	0.5
89.03926	2.9
89.10803	19.1
94.01550	0.3
98.06092	0.9
98.97612	0.6
98.98475	5.4
107.04982	1.7
114.10325	0.5
115.08711	1.6
117.03391	6.3
117.04153	0.5
121.02874	4.4
135.04427	14.8
137.06029	0.4
145.02859	14.1
160.29120	0.3
163.03917	100.0
191.11723	1.0
192.10168	1.2
207.12050	0.8
230.92601	0.3
233.09993	0.6
234.11240	14.4
251.13850	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	251.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05462	1.9
55.05708	0.8
56.05010	0.6
56.96528	0.8
60.05610	1.1
62.26851	0.5
63.02350	0.5
65.03890	1.2
69.03369	0.8
69.07039	0.8
69.75208	2.6
70.06593	4.8
72.08161	40.6
73.02846	0.5
78.35983	0.5
79.03949	0.5
79.05469	0.8
80.81877	0.5
84.04482	0.7
84.08133	2.6
85.02826	0.7
86.09663	1.7
89.03897	3.5
89.10802	20.2
91.05470	1.0
97.07626	1.8
98.06057	2.6
98.21444	0.6
98.97578	1.7
98.98473	34.6
107.04930	1.9
110.07146	1.4
110.97677	0.5
111.04389	0.7
114.10304	14.2
115.08704	9.9
116.07068	0.8
116.99472	0.6
117.03384	6.3
121.02876	95.2
129.10228	0.7
131.05103	0.6
132.19498	0.5
135.03413	0.9
135.04425	14.7
137.05963	0.8
138.05467	1.2
140.68518	0.5
145.02852	13.2
145.69221	0.5
150.05478	1.0
155.50497	0.5
161.06004	1.0
163.03917	100.0
164.04292	0.7
168.96236	0.6
174.99283	2.5
178.08275	0.6
179.05437	0.7
191.07115	0.5
191.09178	0.6
191.11803	16.6
192.10199	25.0
194.05357	0.6
205.10693	0.7
207.12166	3.5
209.13028	1.3
233.10193	1.2
234.12598	12.5
242.62901	0.6
251.09821	1.8
251.10872	3.3
251.15222	70.8
273.26517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
50.50525	2.0
53.03936	6.9
54.53295	2.3
55.01863	9.8
55.05507	8.4
55.65247	2.4
57.07101	2.1
59.04994	4.0
65.03931	4.6
67.05506	16.8
67.68083	2.1
68.03434	2.4
68.28470	2.1
69.03434	12.2
69.07082	20.0
70.06561	3.0
70.07400	5.0
70.54438	5.6
70.54797	4.5
71.05004	10.8
72.08155	11.3
78.22822	2.6
79.05498	39.4
79.36858	2.1
81.03431	2.7
81.06588	4.7
81.07059	65.7
83.04986	7.5
85.06536	5.9
91.05489	37.5
93.03417	2.3
93.07053	61.8
95.04978	30.6
95.08614	22.5
97.02931	3.5
97.06538	21.9
98.06806	2.4
98.98474	98.9
99.04458	15.3
103.05483	2.5
103.46386	2.2
105.07038	57.7
107.04957	24.0
107.08589	30.1
109.06523	49.7
109.10170	3.6
111.04421	3.0
111.08080	7.2
113.06020	3.9
115.05436	4.7
116.99536	2.8
117.07018	20.2
119.04949	25.1
119.08606	21.1
120.05218	3.6
121.06507	41.0
121.10162	6.9
123.04458	2.5
123.08067	4.5
125.05988	7.9
127.07605	5.9
128.06203	2.6
129.07007	9.5
130.07785	7.8
131.04933	5.0
131.08571	26.5
133.06488	13.9
133.10139	6.1
135.04401	3.9
135.08069	12.1
135.11694	17.6
137.05991	67.3
137.09607	2.6
138.06311	28.0
139.07552	21.3
141.06947	4.7
143.08549	9.4
144.05678	2.6
144.09338	6.6
145.02884	4.9
145.06451	12.4
145.10135	96.0
147.08058	7.6
147.11705	9.0
148.08879	2.4
149.06026	7.1
149.09567	4.1
151.07591	4.2
153.07033	3.1
154.07806	8.8
155.08556	4.4
156.09311	2.9
157.08609	13.8
157.09947	3.6
158.07292	6.4
159.08092	11.0
159.11700	47.2
161.06020	3.8
161.09579	3.1
161.13326	3.0
163.03906	19.2
163.07547	5.5
163.11192	97.1
169.10098	13.9
171.11748	3.9
172.08864	5.0
173.05971	4.6
173.09630	36.2
174.99210	7.6
175.07533	3.3
176.71405	2.5
177.12741	5.7
179.08572	10.1
181.12231	23.7
182.07335	7.5
187.11194	91.1
189.12796	3.8
191.10695	35.1
197.09650	25.1
205.08565	3.3
205.12231	35.8
205.15791	2.7
215.10678	100.0
223.07397	3.6
227.12714	5.8
233.08162	5.4
233.11740	55.1
234.12041	38.4
251.06982	2.8
251.10735	3.7
251.12781	32.5
251.16525	5.4
252.36514	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0916
Annotation	azanigerone E
Peak:m/z	Relative Intensity
50.59480	0.6
54.75146	0.6
55.05499	1.1
56.96560	1.0
59.04984	1.7
67.05500	1.0
67.73945	0.6
69.03401	0.8
69.07063	2.1
69.64971	3.4
70.06581	1.8
72.08160	4.8
79.05478	1.9
81.03374	0.7
81.07047	2.6
83.05006	1.0
83.90568	0.7
84.08125	2.6
85.06557	0.7
86.09684	1.2
89.10777	1.6
91.05477	4.0
92.05790	0.6
93.07031	1.6
95.08608	1.1
97.06535	6.9
98.06867	3.3
98.20798	1.1
98.98468	41.1
103.05460	1.1
105.07012	2.0
107.04961	1.0
107.08573	1.4
109.10172	0.7
115.05460	2.7
116.06229	0.7
117.03405	0.8
117.07034	2.7
119.04979	1.3
119.08559	1.3
127.05430	1.1
128.06219	6.6
129.07013	27.3
130.07755	0.7
131.04945	4.0
131.08565	5.0
133.02834	0.6
133.06537	0.8
133.10164	1.2
135.04402	0.9
135.11687	0.5
137.05972	3.7
137.09613	1.0
138.06320	3.1
143.04919	1.3
143.08540	1.2
144.05684	5.0
145.02800	1.5
145.06456	4.4
145.10138	1.4
146.07259	4.8
146.12973	0.6
147.08070	0.9
149.05960	0.8
151.03931	1.3
151.07445	0.6
155.04924	6.5
155.06032	1.1
157.06483	8.2
158.07280	6.9
159.04434	3.8
159.08093	0.9
159.11664	1.0
160.05244	5.0
161.05992	1.7
161.09624	2.5
163.03929	7.2
163.11189	0.6
172.05223	6.5
173.05943	4.3
173.09512	0.6
174.06772	45.0
174.99222	1.8
175.07561	14.8
177.05452	1.7
177.09129	0.9
179.05205	0.7
183.04517	2.8
187.07545	35.9
188.08241	1.4
189.09114	40.2
190.02608	0.7
190.09425	0.7
191.07019	1.6
193.08568	1.1
199.54872	0.7
200.04662	0.9
201.05466	2.5
203.07021	4.6
205.04967	6.2
205.08511	1.2
205.12152	0.6
207.01225	0.7
215.07013	20.0
215.10495	1.2
223.07411	0.8
233.08089	100.0
234.08339	0.8
234.12103	6.7
236.04630	1.2
251.07008	3.4
251.09140	1.7
251.14186	2.3
251.16554	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88560	0.4
55.01877	2.0
55.05498	0.9
65.03942	0.5
67.05507	1.4
69.03403	0.5
69.07070	25.9
69.46059	0.5
69.46465	2.2
70.06583	1.1
70.46305	0.3
71.04987	0.4
72.08163	2.1
79.05501	5.6
81.07040	1.3
83.04978	0.5
83.22601	0.3
84.08126	0.9
91.05483	20.3
93.07030	0.7
95.04974	0.8
97.06535	22.9
98.06050	0.4
98.97588	1.0
98.98469	1.7
103.05459	0.4
105.07020	0.8
107.04906	0.4
109.06521	2.0
109.10226	0.4
117.07069	0.3
119.04948	14.3
119.05795	0.8
119.08562	0.5
121.06503	0.5
131.04929	0.5
131.08546	0.6
135.04419	1.2
136.05228	1.8
137.05984	100.0
138.65707	0.4
145.06520	0.7
149.05981	1.7
161.06015	0.4
162.03703	1.2
163.03900	3.4
163.07500	0.8
175.07417	0.5
178.04997	4.6
179.05348	0.7
187.07587	0.4
187.11255	0.8
197.09708	0.6
204.10252	0.5
213.88837	0.4
215.10715	2.0
232.09653	0.7
233.11743	73.4
250.06918	0.4
250.10777	6.8
250.14520	3.4
250.18053	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61648	0.2
55.05510	0.7
55.31973	0.2
56.63548	0.2
58.62195	0.2
65.03948	0.4
69.41663	0.8
69.42091	1.0
70.06593	13.5
71.04995	0.3
72.08140	0.5
79.05493	0.5
82.59597	0.2
86.06080	2.0
86.09711	0.4
87.04481	0.5
89.03895	1.3
91.05481	7.4
97.06554	1.6
98.98464	0.4
104.07093	1.1
116.07123	0.5
117.03397	2.2
119.04945	24.5
126.43523	0.2
135.04408	4.5
137.05991	1.5
145.02866	4.1
147.04414	100.0
148.04697	0.4
151.41154	0.2
152.05670	1.8
163.03909	28.0
177.05473	0.9
178.05005	3.0
189.09109	0.2
231.31709	0.2
232.09714	0.9
233.11838	1.8
250.10800	6.8
250.13086	0.7
261.31516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1077
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
53.03946	0.6
55.05515	10.3
59.14565	0.3
62.37555	0.3
69.66913	1.4
70.06598	1.8
71.58781	0.3
72.08163	2.3
73.06558	2.6
80.05002	0.9
82.06577	0.4
82.15601	0.3
84.08142	0.6
86.09708	0.6
98.06075	0.4
108.04489	6.9
110.07156	0.3
122.06013	0.7
123.04415	0.4
132.04430	0.5
133.02850	0.6
133.52029	0.3
147.04288	0.4
150.05511	1.3
160.03893	0.6
163.03891	1.7
178.05002	75.1
179.05325	0.7
186.51797	0.3
190.04997	4.5
194.55470	0.3
206.11929	0.6
232.09755	2.8
233.10080	0.5
241.61674	0.4
246.72540	0.3
250.10757	100.0
251.11046	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.3
55.01833	0.6
55.05516	9.8
55.05762	1.3
57.03389	0.8
57.07035	1.7
59.04949	1.3
67.05507	4.8
67.81510	0.5
69.03384	1.1
69.07074	6.3
70.00514	0.5
70.06579	0.6
70.63471	1.7
71.04966	0.6
72.08152	5.1
72.71684	0.6
79.05500	2.9
81.03405	0.7
81.07069	5.2
83.04941	0.6
83.08617	3.6
91.05482	4.2
93.07053	8.2
95.04966	0.6
95.08614	14.1
97.06512	1.2
97.10171	3.3
105.03413	0.6
105.07029	10.0
107.04919	0.5
107.07893	0.8
107.08594	12.5
109.06499	1.6
109.09490	0.7
109.10170	10.1
111.04385	0.6
111.08048	1.2
116.41512	0.5
117.06976	0.8
119.08591	21.5
121.06525	0.8
121.10146	8.9
123.08057	0.8
123.11681	1.7
125.05982	1.4
125.09591	1.5
131.08563	2.3
133.10135	21.4
135.08035	1.4
135.11691	5.3
137.05891	0.7
137.09579	0.7
138.89078	0.6
139.07471	1.7
145.10133	1.9
147.04408	0.6
147.08018	0.7
147.11691	17.7
149.09561	0.8
149.13229	2.4
151.07529	1.4
151.11191	0.7
153.09102	5.2
156.84302	0.6
157.10118	0.7
159.11658	2.1
160.12460	0.7
161.09645	1.2
161.13292	8.5
163.14835	1.4
165.09099	1.3
167.10695	4.3
173.13301	0.8
174.14104	1.3
175.11197	0.7
175.14857	3.2
178.05017	5.5
179.05357	0.6
179.10683	2.2
181.12151	1.0
185.13197	0.7
189.09119	0.8
189.12717	3.1
189.16455	0.8
190.04968	0.9
193.12296	1.9
201.16357	0.9
203.17979	100.0
204.18315	0.7
205.19548	4.0
213.16444	1.1
221.19037	6.2
230.01540	0.6
231.13863	1.0
231.17543	4.7
231.21072	0.6
232.09645	3.7
249.05493	1.2
249.12328	2.7
249.15013	1.2
249.18549	19.1
249.22423	1.3
249.25195	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	249.1025
Annotation	11-Hydroxycryptolepine
Peak:m/z	Relative Intensity
55.05499	0.7
55.10730	0.4
56.96571	0.6
57.07071	0.4
59.04996	1.4
67.05495	0.7
69.07077	0.7
71.52344	0.5
72.08176	2.2
74.38705	0.4
79.05495	1.1
81.07045	1.4
91.05490	15.5
93.07030	0.9
95.04926	0.7
95.08604	1.1
98.25625	0.4
104.05007	0.4
105.07050	1.4
107.04974	0.6
107.08594	1.3
109.10158	0.7
116.05010	0.6
119.08586	0.7
121.10210	0.4
121.75541	0.4
122.05989	0.6
132.04437	1.8
133.10144	0.8
137.06000	0.7
143.06046	3.6
147.11665	0.5
161.09662	0.6
171.05548	67.2
178.05005	1.8
179.00018	0.4
189.09094	0.6
189.16502	2.2
203.14233	0.6
203.18080	0.5
204.08116	0.9
232.09679	1.8
249.10251	100.0
249.18617	1.7
250.10646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01871	2.3
55.05504	2.5
56.96553	1.6
57.03426	1.5
59.04990	3.1
67.05482	3.9
69.03432	8.5
69.07071	2.3
70.06580	5.1
71.04974	4.4
71.51341	1.4
72.05333	2.0
72.08159	26.1
79.05468	4.3
81.03403	4.0
81.07057	3.4
83.04967	1.6
84.08134	3.2
85.02920	7.0
86.09700	4.1
87.00816	1.4
91.05482	3.1
93.07037	2.7
93.24197	1.1
95.04972	2.9
95.08598	2.3
97.02873	4.4
97.06529	5.2
98.06005	1.3
98.97578	4.6
99.04443	2.0
103.05463	1.3
105.03354	1.7
105.07016	7.4
107.04946	1.8
107.08572	2.9
108.04475	1.6
109.02845	2.4
109.10146	1.8
110.07139	5.3
115.05419	1.4
119.04971	1.9
119.08596	2.6
120.08091	2.1
121.10128	2.2
123.04429	1.2
127.03876	3.3
131.08563	3.1
133.02838	4.5
133.10132	1.6
134.06017	1.5
135.04445	1.2
136.06230	1.5
137.05997	5.1
143.08574	1.9
145.06476	2.7
145.10083	2.3
147.04416	3.1
147.08047	2.3
149.07411	1.5
151.07530	1.8
157.04672	1.2
159.08084	1.8
163.03958	1.8
167.10764	1.2
173.01187	2.1
175.07713	1.9
176.06854	1.3
178.05013	28.3
179.05351	9.2
185.13232	1.4
189.03671	2.5
189.09148	2.3
190.04936	2.9
203.10619	1.5
204.10173	3.5
207.06706	1.5
207.08629	1.6
215.05864	1.4
217.03168	2.3
224.73750	1.2
231.13737	1.6
232.09671	18.6
233.11699	4.3
249.11006	100.0
250.10767	1.6
267.10828	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	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	0.6
55.05275	0.7
55.05510	11.0
57.07058	2.6
59.04980	1.5
65.02317	0.5
67.05505	4.5
67.56541	0.6
69.03415	1.5
69.07079	6.2
69.84115	1.1
69.84524	2.1
70.06602	0.6
71.04982	0.7
72.08151	5.6
79.05490	4.8
81.03414	1.1
81.07059	6.8
83.04968	0.6
83.08617	4.8
84.08125	0.6
91.05478	4.9
93.07045	7.6
95.04946	1.4
95.08607	12.8
97.06497	0.8
97.10160	3.6
101.92921	0.6
105.03412	0.8
105.07030	12.1
107.04945	0.7
107.08604	14.1
109.06506	1.0
109.10154	11.8
110.83851	0.6
111.04446	1.1
111.08077	1.2
115.05428	0.7
117.07049	0.9
119.08586	22.7
121.06473	1.0
121.10136	7.7
123.08055	0.8
123.11745	1.5
125.05979	1.3
125.09647	1.6
131.08528	1.5
133.02887	0.8
133.09123	1.2
133.10136	23.2
135.08064	1.0
135.11673	4.6
137.05980	0.9
137.09596	1.5
139.07516	1.5
145.10124	2.1
147.11691	18.3
149.09575	1.1
149.13257	2.5
151.07552	1.6
151.11156	1.1
153.09065	6.4
153.09976	0.5
159.11746	1.4
160.12454	0.9
161.09621	1.2
161.13275	11.3
163.14767	1.6
165.09103	1.6
165.12784	1.0
167.10680	6.2
171.11652	1.4
173.13165	0.7
174.14049	0.9
175.11166	1.0
175.14854	3.1
178.05003	5.7
179.10678	2.2
179.33224	0.6
181.12352	1.0
188.71465	0.6
189.09137	0.8
189.12773	3.4
189.16309	1.2
193.12263	2.2
203.17973	100.0
204.10268	0.9
205.19453	3.9
219.79794	0.6
221.12799	0.6
221.19034	5.4
231.13873	1.4
231.17479	4.6
232.09711	4.1
249.05504	1.0
249.09409	0.9
249.12375	3.3
249.15041	2.1
249.18513	20.1
249.21451	0.9
249.22310	1.0
249.25259	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	248.1283
Annotation	Securitinine
Peak:m/z	Relative Intensity
55.01870	0.6
55.05275	0.6
55.05517	5.4
56.96569	0.8
63.02413	0.4
69.03429	0.6
69.77221	1.8
70.06595	3.5
71.04990	3.5
72.08156	10.7
79.05486	0.4
81.03403	0.4
81.07060	0.8
84.04477	0.4
84.08125	0.6
89.03912	4.1
91.05473	1.2
93.07038	0.4
97.06535	0.5
98.06055	11.2
98.97592	1.1
103.05415	0.4
105.07033	0.8
108.04458	0.5
117.03380	20.5
117.07015	1.0
119.04930	1.3
121.06510	0.4
124.07579	0.9
132.08888	0.4
134.03651	1.7
134.35211	0.3
135.04428	1.5
137.06015	0.5
142.07291	0.6
145.02844	63.4
147.04420	3.6
149.05963	6.6
150.88486	0.4
151.03882	0.4
159.11728	0.4
162.03206	0.5
163.03920	2.9
164.04651	0.6
177.05470	94.8
178.04968	13.0
186.05498	1.2
248.09171	22.3
248.12814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	6.3
59.07382	2.8
71.50372	4.4
72.08149	4.3
77.49385	2.2
79.50098	2.9
86.09697	3.0
94.93010	20.3
99.25939	2.4
104.10757	5.1
105.11060	4.1
118.08652	19.6
119.01962	3.0
119.09013	5.7
120.09137	5.8
130.09828	2.7
132.10211	100.0
139.78270	2.8
175.04660	2.4
206.88734	4.1
232.09573	3.5
248.89647	8.4
249.03790	21.9
249.12193	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	247.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83533	0.3
53.02074	0.4
54.90419	0.3
55.05514	0.8
56.05029	0.3
58.06589	2.5
59.07388	1.6
60.05635	1.0
60.08157	0.7
66.92061	0.3
67.05502	0.3
69.07070	0.7
70.06594	17.0
70.84692	0.6
71.04998	2.2
72.07755	0.5
72.08157	8.6
74.56262	0.3
82.94438	0.3
83.68875	0.3
84.04516	2.4
84.08148	2.9
86.09709	10.0
88.07585	0.5
97.04000	0.4
101.00868	0.5
102.05544	0.6
103.00642	0.3
104.10748	28.9
112.08728	9.1
118.08660	100.0
119.01936	1.0
124.11248	1.4
130.09767	31.0
142.12289	0.4
143.01872	0.8
148.06039	1.1
161.02959	0.7
183.11359	1.9
229.03300	0.9
229.11841	1.2
229.15555	0.7
247.04282	3.5
247.06445	0.4
247.12924	1.4
247.16731	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	Methyl nidorellaurinate
Peak:m/z	Relative Intensity
55.05492	1.6
56.96547	1.6
57.07076	2.8
57.08593	0.5
67.05487	1.7
69.07064	1.9
70.06561	0.9
79.05482	2.1
81.03400	0.6
81.07063	5.5
88.07626	0.6
91.05490	4.7
93.07057	5.2
95.04919	0.6
95.08603	2.5
98.20745	1.4
103.05462	0.6
104.99263	0.9
105.07037	7.9
106.07334	0.8
107.08592	3.6
109.06494	0.6
109.10139	0.8
117.07017	4.3
119.08588	11.5
127.03876	0.8
129.06979	1.5
130.07774	1.6
131.04889	1.9
131.08562	29.1
133.06470	1.3
133.10149	2.7
143.08560	3.7
144.09343	1.6
145.06491	1.0
145.10124	29.5
147.11707	3.1
157.10141	2.1
158.10902	6.3
159.08113	1.1
159.11694	24.6
161.07907	0.8
163.07518	4.5
171.11720	0.6
172.12413	0.9
173.13220	0.6
175.14877	1.2
182.99680	1.2
186.00543	0.6
186.50578	0.8
187.14819	100.0
188.15245	0.7
195.01120	0.8
201.00685	1.9
201.12775	0.6
201.16505	1.3
204.05995	0.8
205.06816	0.6
213.30339	0.6
215.14342	3.2
229.12361	1.2
247.11488	3.5
247.16924	17.5
247.20724	0.8
247.24629	1.8
262.12836	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01662	0.8
55.05507	2.6
56.96549	2.8
57.07071	1.1
66.46011	0.8
67.05506	2.8
69.07063	4.0
69.75283	5.0
70.06563	1.0
72.08137	1.5
79.05510	2.6
81.03417	0.9
81.07051	2.7
83.08628	1.1
84.42223	0.9
86.09692	1.0
91.05481	4.7
93.07047	7.1
95.04970	0.9
95.08603	4.2
104.99294	1.6
105.07040	9.3
107.08593	7.6
109.10162	2.9
114.00309	0.9
117.07014	2.3
119.08594	9.1
121.10125	3.0
123.11684	1.1
131.08568	11.6
133.10138	17.4
135.11673	1.0
137.05949	2.4
143.08566	2.3
145.10130	22.6
147.11688	2.5
156.62344	0.9
158.10922	1.4
159.11729	10.6
163.07549	1.2
163.11194	0.9
173.13280	4.7
175.14780	1.1
179.10709	2.9
182.99658	1.5
186.14043	2.1
187.10995	0.9
187.14824	10.3
191.10635	2.0
201.00584	1.8
201.16397	100.0
203.17998	2.3
214.24780	0.8
219.17493	3.5
229.12473	1.3
229.15941	1.5
229.19464	1.4
246.15712	0.9
247.13206	2.3
247.16971	32.5
247.20616	3.4
247.24565	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	Methyl nidorellaurinate
Peak:m/z	Relative Intensity
55.05508	0.7
56.96581	0.2
57.07073	2.2
59.92358	0.2
61.55962	0.2
65.03930	0.3
65.56979	0.2
67.05498	1.7
69.07076	1.4
69.80777	1.2
70.06593	0.2
71.04984	0.2
72.08157	0.4
79.05499	2.7
81.03432	0.3
81.07059	4.5
82.90070	0.2
85.06565	0.3
86.09730	0.4
91.05485	3.7
93.07050	4.9
95.04952	0.4
95.08604	2.6
98.97629	0.3
103.05482	0.8
105.07033	8.1
107.04966	0.3
107.08591	3.3
109.06548	0.4
109.10179	1.0
112.27023	0.2
115.05439	0.6
116.06260	0.4
117.07022	4.0
119.08585	11.5
121.10175	0.6
127.03918	0.2
128.06183	0.6
129.07016	1.6
130.07779	1.2
131.04962	2.2
131.08571	34.1
132.09373	0.3
133.06485	1.0
133.10150	2.1
135.08052	0.6
135.11690	0.3
141.06995	0.3
142.07799	0.3
143.08554	4.3
144.05748	0.3
144.09340	1.5
145.06439	0.7
145.10126	32.9
147.08031	0.3
147.11699	3.6
149.09544	0.2
157.10152	2.4
158.10916	5.1
159.08104	1.6
159.11700	26.9
161.09647	0.3
163.07549	4.8
171.11763	0.3
172.12498	1.0
173.09726	0.3
173.13217	0.3
175.14822	1.3
177.09100	0.6
185.13278	0.6
186.06796	0.3
186.13780	0.3
187.14827	100.0
188.15178	0.8
189.16373	0.4
191.10571	1.2
201.16444	1.2
203.06984	0.3
205.12105	0.2
215.06781	0.3
215.14339	3.5
217.08662	0.4
219.13754	0.3
219.17358	0.4
225.92763	0.3
229.15958	0.4
229.19623	0.4
247.07617	0.5
247.09702	1.4
247.13087	0.6
247.16940	16.5
247.20885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1692
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.44439	0.3
55.05513	0.8
61.08084	0.3
61.18690	0.3
67.05505	1.0
69.07073	3.8
78.49680	0.3
79.05504	1.4
80.38107	0.3
81.07067	2.7
91.05477	1.9
93.07030	3.4
93.07455	0.3
95.08614	3.5
98.21640	0.6
98.98472	1.0
102.88348	0.3
105.07040	7.5
107.08598	4.9
109.10172	0.9
115.05495	0.5
117.07010	1.8
119.08591	5.1
121.10149	1.5
128.06248	0.3
130.07813	0.8
131.08583	8.6
133.06502	0.3
133.10138	21.0
135.08061	0.4
143.08554	0.6
144.09329	0.5
145.10129	17.5
147.11670	2.7
149.09627	0.5
157.10173	0.5
159.11711	7.1
161.09644	0.8
161.13269	1.0
163.11177	0.4
171.11737	0.5
173.02271	0.4
173.09702	0.5
173.13289	4.1
175.14685	0.5
177.09163	0.7
179.10690	2.7
180.88986	0.4
186.14037	1.4
191.10661	1.5
201.16391	100.0
202.16724	0.6
203.17926	2.0
219.17435	3.6
219.95740	0.3
229.15997	0.7
247.05855	0.4
247.16939	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.129
Annotation	alpha-Asp-Ile
Peak:m/z	Relative Intensity
53.95028	0.7
56.05027	2.4
61.01162	0.9
69.07075	12.1
70.02951	10.1
70.06594	2.0
70.75175	2.0
72.08141	1.6
73.02920	2.8
73.04008	0.9
74.62067	0.6
75.21082	0.6
81.35364	0.7
84.08123	1.1
85.04022	5.0
86.09709	100.0
87.10038	1.2
88.03995	50.3
96.08114	2.6
98.02404	4.3
99.00830	1.3
100.03970	2.7
104.05334	2.9
110.02420	13.3
113.10763	11.5
115.05104	0.9
116.07101	4.8
124.03970	2.1
132.10208	52.2
133.10576	1.4
138.09157	1.4
141.10234	22.1
155.11832	1.3
156.10193	5.6
162.09152	0.9
166.08640	17.5
169.09705	0.8
183.11279	7.3
184.09712	3.1
187.10791	13.9
187.12360	1.2
191.11841	4.1
201.12340	48.2
204.69571	0.9
211.10773	1.1
212.09187	20.4
223.13982	0.7
229.11882	8.2
244.82173	0.6
247.10533	0.9
247.12952	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	Methyl nidorellaurinate
Peak:m/z	Relative Intensity
55.05504	0.7
57.07074	2.1
57.34385	0.4
58.39634	0.3
67.05520	1.8
69.07057	1.4
70.55989	0.8
70.56355	0.7
79.05505	2.6
81.07059	4.9
85.02895	0.3
91.05471	3.4
93.07040	4.5
95.08585	1.9
105.07027	7.8
107.08607	3.4
109.10165	0.6
116.06271	0.6
117.07012	3.9
119.08588	10.6
121.06531	0.5
129.07002	1.1
130.07791	1.2
131.04939	2.5
131.08574	31.1
133.06528	0.6
133.10133	1.6
135.08096	0.4
142.07719	0.5
143.08569	3.9
144.05725	0.6
144.09343	1.0
145.10126	30.2
147.11714	2.6
157.10089	1.8
158.10927	5.9
159.08080	1.3
159.11700	25.6
163.07561	3.8
172.12506	0.9
173.09703	0.6
173.13295	0.5
175.14873	1.5
187.14827	100.0
191.10646	0.6
201.12764	0.5
201.16360	0.6
215.14337	3.2
229.16145	0.5
247.09657	0.8
247.16942	17.8
247.24237	0.6
248.09283	0.4
268.64948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88617	0.3
57.07077	7.0
58.06594	0.6
62.06077	0.3
64.77271	0.2
64.94971	0.2
67.47107	0.3
70.06599	10.3
70.79739	0.6
71.08629	1.6
85.10185	0.8
88.07639	15.6
102.09190	4.6
106.08678	7.7
107.99888	0.3
131.80739	0.3
184.20592	0.6
200.20227	0.2
202.21732	1.0
228.23260	5.8
246.24301	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.2
58.06607	0.9
58.70810	0.8
59.07379	0.8
60.08150	0.8
69.07072	2.5
70.02965	1.9
70.06601	12.6
71.04998	0.9
71.53059	1.2
72.08161	29.4
82.99859	1.7
84.04504	5.1
84.08146	4.9
86.09707	34.2
88.03998	7.6
96.08127	1.6
101.00893	12.7
102.05559	1.2
104.10741	10.3
110.02419	1.0
112.08740	4.7
113.00850	1.2
113.10759	1.0
115.02411	1.0
116.52195	0.9
118.08662	52.6
119.01939	13.8
121.01626	0.9
130.04997	1.3
130.08806	1.9
130.09760	14.0
131.01920	3.1
132.10207	6.9
133.03482	2.6
137.02940	1.0
141.10274	2.2
143.01884	2.6
144.99852	1.3
145.03453	1.6
148.06052	5.8
156.10201	1.1
157.03458	1.2
161.02992	3.9
163.02678	1.3
166.08701	2.1
168.99841	1.9
183.11264	4.3
184.09592	0.9
187.00865	3.1
187.02325	1.8
187.10904	2.0
196.10744	1.0
196.99319	1.6
201.02429	2.3
201.12350	8.8
211.10797	1.4
212.09267	2.2
215.00389	5.7
229.03229	24.9
229.11850	2.8
247.04298	100.0
247.06256	4.0
247.12836	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	245.186
Annotation	Ile Ile
Peak:m/z	Relative Intensity
52.06639	0.2
69.55293	1.1
86.09711	100.0
87.37502	0.2
98.21513	0.4
123.13937	0.2
132.10223	3.4
173.22267	0.2
199.18105	1.9
227.17728	0.3
245.18637	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	246.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05695	0.6
68.05022	3.5
70.06561	0.8
71.62821	0.7
72.59244	0.7
84.08159	0.8
89.03928	8.4
90.51909	0.6
90.96758	0.7
91.05473	0.7
96.04488	7.8
103.05493	0.7
106.04188	0.7
107.04947	0.8
114.94630	0.7
116.08569	0.6
117.03394	27.6
119.04977	0.7
121.06513	0.8
122.06049	0.6
134.03629	2.0
135.04469	1.1
137.05960	0.7
145.02853	62.9
149.05991	9.1
163.03923	1.8
177.05482	100.0
186.05478	1.4
187.93222	0.7
226.12825	0.7
229.00432	0.7
246.08759	1.6
246.11295	31.0
246.13329	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
54.95516	0.5
56.96566	3.0
63.02343	0.5
68.05024	1.1
69.91902	2.4
70.06579	1.3
72.08164	0.6
74.58263	0.6
84.08138	1.9
86.09702	1.5
87.10040	0.9
89.03923	8.1
91.05480	1.0
93.07060	0.6
94.27503	0.5
96.04479	1.6
97.99165	0.8
98.97580	1.6
105.07032	0.7
106.04168	0.7
117.03387	26.2
118.35146	0.6
121.06507	0.7
129.04437	0.7
133.02856	3.0
134.03680	2.7
135.04387	1.1
145.02853	60.0
146.17722	0.7
149.05984	9.7
177.05481	100.0
186.05595	1.4
216.08252	0.6
246.07321	1.0
246.11281	5.5
246.13342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.145
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
52.96622	2.0
56.37847	1.8
56.96565	1.8
58.49592	1.8
60.05640	2.1
64.08924	1.7
66.59089	1.8
69.07072	44.2
70.02959	17.8
70.06594	10.5
70.26435	3.8
70.26827	3.7
72.08141	6.8
73.02927	2.2
73.04052	3.8
73.06565	2.1
73.51792	1.7
75.05605	3.5
84.04493	2.0
84.08156	16.4
85.04031	16.8
86.09712	83.4
87.05597	68.9
96.08146	3.9
97.06525	4.3
98.01838	2.1
98.02421	21.5
98.21459	2.0
110.02409	62.7
113.10049	2.3
113.10777	39.9
115.05112	2.1
116.07045	1.8
124.03939	11.2
129.10240	3.8
130.08656	2.2
132.10216	23.5
138.09149	4.7
139.95300	2.0
141.10231	87.5
143.11798	27.6
147.11266	3.1
155.11812	9.8
166.08647	80.0
168.06590	2.9
169.09726	6.7
171.11317	8.6
172.16058	1.8
175.11891	3.6
183.11305	11.5
187.10789	60.7
200.13966	29.0
200.41107	1.8
201.12454	2.7
211.10756	7.1
212.09195	100.0
228.13460	9.4
229.09509	3.1
229.11819	59.3
246.14247	12.4
246.18217	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	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05449	0.2
57.05817	0.3
69.07071	9.3
70.04207	0.7
70.06592	0.4
78.06874	0.2
84.08156	0.3
86.09709	100.0
87.10048	0.3
132.10202	1.8
199.18089	1.0
245.13469	0.3
245.18602	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	245.1386
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.03933	2.8
55.01875	8.2
55.05514	72.9
56.05032	1.3
56.96550	4.1
57.03441	29.4
57.07058	1.2
59.04982	2.8
65.03936	1.1
67.05506	24.7
69.03438	11.7
69.07071	13.9
69.79404	2.0
69.79824	3.6
70.02924	1.7
70.06596	8.3
71.04984	2.1
72.08157	5.5
72.93771	2.1
76.30228	1.0
79.05086	1.5
79.05498	21.8
81.06595	1.3
81.07056	19.8
83.05000	7.9
83.08622	44.5
84.04495	1.5
84.07796	0.7
84.08150	8.1
85.02888	2.4
85.06523	3.1
86.09705	31.7
87.04465	1.7
90.94820	1.7
91.05474	5.6
93.07043	11.4
95.04957	2.7
95.08592	4.3
97.02872	1.4
97.10174	100.0
98.97575	6.2
101.00836	1.1
101.06011	1.3
101.09624	1.3
104.05299	1.1
105.07036	9.1
107.07896	1.7
107.08600	27.6
109.06451	1.8
109.10168	4.7
111.08059	2.4
113.03483	2.3
115.05443	1.5
116.98639	2.2
117.06969	4.3
119.08552	3.3
120.08125	1.1
121.06517	1.1
121.10138	1.8
123.08074	1.0
125.09635	91.1
128.06204	2.3
129.06982	3.2
129.10225	2.8
130.06514	1.3
131.08524	1.6
132.08023	1.3
133.06493	1.8
133.10101	1.8
134.99614	1.1
135.08057	13.0
135.11731	1.5
137.05896	1.4
141.06992	1.7
142.03186	2.3
142.07741	2.5
143.08565	6.3
143.10637	4.9
145.10110	3.5
147.07988	2.0
147.11566	1.2
149.96092	2.5
153.09126	6.6
156.09331	4.8
157.06480	2.1
157.10094	10.7
158.99620	1.3
159.07994	1.5
159.09174	4.2
159.11679	2.2
161.05957	3.6
161.09515	2.1
163.07520	1.3
167.97118	2.0
170.02725	1.2
171.07961	2.3
171.10112	9.3
171.11639	4.2
172.11549	1.2
172.97673	2.6
173.09492	1.4
175.11140	3.6
177.05399	1.3
181.09967	1.4
181.77020	1.0
184.08759	2.1
185.09584	1.2
185.13242	5.6
189.11223	95.7
189.12701	3.3
198.46713	1.0
199.11224	4.6
199.14767	2.7
202.09897	1.9
202.98735	1.2
203.10573	3.6
209.13348	1.3
212.08168	3.3
217.12154	4.3
227.08247	2.6
227.10587	11.9
227.12740	19.1
227.14627	1.6
245.04330	1.7
245.08240	4.1
245.11635	17.6
245.13803	95.7
245.18843	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	245.0924
Annotation	Brunnein A
Peak:m/z	Relative Intensity
55.01860	0.3
55.05508	2.3
56.96567	0.4
60.71804	0.2
61.71294	0.2
68.99801	0.8
69.07069	0.2
70.02944	0.2
70.06588	0.7
70.65925	0.5
71.04998	0.2
72.08158	18.5
81.07050	0.2
84.08148	0.7
86.09710	12.8
87.00829	1.3
90.97617	0.2
98.97592	0.6
101.38610	0.2
105.07088	0.5
113.03545	0.2
115.05455	2.7
116.98579	0.2
117.05766	2.8
118.06544	3.1
121.10065	0.2
129.07016	1.8
130.06529	10.4
131.07289	0.3
132.08095	48.1
133.08472	0.3
140.04901	0.4
142.03329	0.2
142.06529	8.2
143.07275	0.5
144.04437	0.3
144.08060	0.3
145.02927	0.2
146.11760	8.6
154.06557	0.9
156.06862	0.3
156.08098	4.3
157.07616	7.6
157.08896	0.4
158.06100	1.4
158.08409	5.7
158.09569	0.3
159.09178	100.0
160.07588	8.3
160.09602	0.5
166.06551	0.3
167.06047	4.0
167.07385	0.4
170.06018	3.3
171.06879	0.6
171.09207	1.0
172.07539	1.1
177.05455	0.7
181.07579	2.2
182.06041	0.9
183.09183	1.3
184.07585	17.1
185.07111	47.5
185.16525	0.7
186.07423	0.3
198.05489	0.3
199.08659	2.4
200.07082	7.6
200.08885	0.5
201.10243	14.1
209.07104	1.8
210.05440	0.4
214.31590	0.2
224.08160	0.5
227.08154	48.1
233.08524	0.5
245.09233	34.1
245.18614	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99829	0.4
67.71369	0.3
68.98265	0.5
69.03413	0.8
70.03339	1.1
73.02912	0.3
81.03381	0.5
82.99805	1.8
84.08125	0.6
84.99599	0.4
85.01406	0.3
86.99339	0.7
87.45798	0.3
90.94824	0.4
97.01402	0.4
97.02868	1.0
97.90534	0.3
99.04447	0.7
101.00883	16.0
102.00961	1.2
102.96876	0.4
103.00650	2.9
105.00354	0.5
111.02959	0.3
113.00873	2.8
115.02435	1.0
118.98641	0.3
119.01923	19.9
120.02023	1.7
121.01675	4.1
121.02462	0.5
127.02415	0.9
127.03901	1.9
129.00339	0.5
129.04041	0.7
131.01932	5.2
131.05574	0.5
133.03456	1.4
136.99712	0.5
137.00755	0.3
137.02930	1.7
139.02428	1.7
142.03494	0.6
142.98639	1.6
143.01901	12.4
145.03433	3.1
147.01369	1.0
155.01892	2.3
157.02252	0.6
157.03471	8.9
160.99663	3.9
161.02960	25.7
162.03130	0.9
163.04489	0.6
167.01909	1.7
169.03450	0.9
171.05017	0.8
172.97552	0.3
173.02971	6.9
175.04515	6.2
177.00919	0.7
177.02699	0.6
177.09718	0.5
178.01096	0.5
179.00699	17.1
179.04004	1.2
180.00768	0.3
180.04131	1.1
181.03479	0.6
184.04491	0.7
184.99664	1.1
185.02956	14.3
187.04547	2.9
189.06073	0.3
191.03999	2.3
195.03786	0.3
197.03018	2.1
199.01001	0.4
199.04576	2.2
201.02823	0.4
203.00847	3.2
203.04007	12.4
203.11285	0.4
209.03044	0.4
215.04019	3.0
217.05637	1.4
219.01939	0.7
219.03879	3.2
220.02115	0.7
221.01775	22.6
221.05183	1.5
222.01924	1.3
226.05461	0.3
227.00655	2.6
227.03998	4.2
233.05052	2.3
245.01854	11.6
245.05067	24.9
245.12140	2.0
261.03119	0.6
263.02878	100.0
264.03003	0.9
265.03397	0.3
268.03467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54068	1.2
53.86358	1.4
55.01862	1.7
55.05499	3.4
56.05033	3.8
56.96561	3.5
58.21700	1.6
58.99857	4.1
60.04520	3.4
60.05660	1.4
61.02935	2.1
68.98306	1.8
69.03417	5.2
69.07056	2.4
70.06268	1.9
70.06598	22.6
71.04991	2.2
71.15139	1.8
71.15457	1.8
72.08150	14.4
72.93771	4.3
74.06074	3.8
81.03410	5.2
82.99847	6.7
83.06082	1.6
84.04499	7.6
84.08147	36.3
85.01407	8.5
85.02895	3.6
85.08434	3.9
85.33980	1.3
86.06044	2.9
86.09702	28.1
87.10029	2.0
88.03990	2.2
90.94820	2.0
97.01410	3.0
97.02873	5.5
97.07644	1.4
98.97558	3.9
99.04443	4.2
101.00887	51.5
102.05507	2.3
102.24330	1.3
103.02448	8.3
110.07117	1.4
112.05099	21.2
112.08737	2.6
112.99077	1.7
113.00857	7.8
113.03481	5.6
113.04757	2.9
113.05421	15.6
115.02435	7.4
115.08674	1.6
116.07076	3.6
119.01925	70.7
120.08138	1.6
121.03495	2.1
125.00774	1.5
127.02415	3.5
127.03918	3.5
129.10242	14.8
130.08679	2.4
131.01915	11.9
131.96164	3.8
132.06567	5.0
133.03456	6.1
136.06273	1.4
137.02963	11.2
137.05931	3.1
139.02391	9.0
141.03976	7.5
141.10309	1.6
143.01903	32.8
143.03096	1.9
143.03519	1.8
145.03462	12.5
149.96089	5.6
149.97206	2.1
155.01904	9.7
157.03474	72.7
159.05017	19.3
161.02966	67.2
161.04016	1.2
161.04333	2.4
167.01912	5.2
167.97133	1.7
169.03432	4.8
171.05026	3.2
172.97714	4.8
173.02960	16.1
175.04536	82.6
175.12083	2.8
177.06113	8.5
179.04022	1.7
181.03418	1.6
183.05025	5.3
185.02962	37.3
187.04520	8.8
191.03943	5.1
197.02956	5.7
199.04517	46.2
199.06200	1.6
201.06024	4.2
203.04012	45.3
209.03014	2.8
215.03986	5.4
217.05576	61.8
219.07166	1.6
221.05083	10.2
227.04013	24.5
233.04936	3.0
245.05049	100.0
245.12387	3.0
245.16447	6.8
263.02908	7.9
263.06119	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	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61693	0.1
71.04324	0.2
77.47951	0.1
80.39719	0.1
82.99836	1.1
83.00299	0.1
98.97591	0.5
101.00889	6.6
102.01012	0.1
116.98819	0.4
119.01932	9.4
122.97794	0.2
134.99890	0.6
137.02969	0.9
140.36302	0.1
140.98837	1.8
142.03427	0.1
157.01923	0.2
158.99904	4.7
165.99643	0.2
175.03020	0.4
177.00966	18.4
178.01045	0.5
179.01396	0.1
181.01926	0.1
182.99850	1.4
183.01265	0.1
193.03972	0.2
195.01979	0.1
197.00677	0.2
199.02974	0.5
200.02551	0.1
201.00945	3.9
201.02330	0.2
201.06093	0.1
217.04102	3.1
219.02020	23.4
220.02145	1.4
221.02440	0.2
225.00874	2.4
227.99680	0.2
234.00726	0.4
242.03673	0.3
243.02016	12.3
244.02043	0.2
261.03076	100.0
262.03244	1.6
263.03549	0.4
264.04138	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	243.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28093	0.5
55.05510	0.5
56.05038	3.9
67.05496	0.6
69.07072	9.9
70.06593	0.9
70.95602	0.8
81.02346	0.4
84.04513	93.7
84.08154	0.8
86.09713	100.0
93.07027	0.6
99.39877	0.5
119.08488	0.6
129.06616	20.6
129.10233	0.8
132.10219	30.2
141.05513	0.7
141.06609	1.2
150.85863	0.5
169.04977	1.6
169.13354	2.6
197.12872	68.8
198.13301	0.6
225.12350	2.0
231.08939	0.7
243.13408	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	243.134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	3.4
56.23800	0.5
69.07065	1.2
69.49544	3.3
78.92261	0.5
84.04504	88.9
86.09707	100.0
86.67048	0.5
113.07159	1.1
129.06601	3.9
132.10208	47.0
141.06596	3.3
152.10759	0.8
161.06345	0.6
165.14049	0.5
197.12857	44.6
225.12395	3.2
243.13423	13.4
243.15771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09552	0.2
69.54259	0.9
69.54686	0.8
72.64767	0.3
82.99857	0.9
83.99953	0.3
88.39465	0.3
90.47260	0.2
101.00880	10.1
102.00962	2.3
103.00626	0.4
109.55943	0.3
119.01921	19.6
120.02000	3.9
131.01859	0.5
135.99969	0.5
137.02950	2.8
138.03027	0.5
141.66989	0.3
141.98923	1.3
142.03516	3.1
143.01918	1.3
145.03479	0.4
157.03432	0.4
158.99908	0.8
159.99994	3.4
160.04646	0.7
161.02942	7.1
172.29013	0.3
173.02968	0.6
175.04543	0.4
176.03249	0.7
177.00954	2.5
178.01039	16.2
179.00714	1.9
179.03999	7.0
184.00047	1.0
184.04562	0.9
185.02939	0.9
202.01033	3.2
202.02686	0.3
202.05592	0.8
203.00587	0.5
203.04021	1.1
215.03874	0.3
218.04185	2.9
219.01997	1.9
220.02119	23.3
220.94395	0.6
221.01788	5.4
221.05006	0.5
226.00987	2.3
235.00908	0.4
238.98363	1.1
243.03693	0.4
243.95872	0.3
244.02097	11.7
245.01869	0.4
245.05074	0.8
262.03195	100.0
263.02863	5.4
263.05777	0.6
264.03668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0929
Annotation	Cytidine
Peak:m/z	Relative Intensity
56.96559	0.2
57.56120	0.2
69.03431	0.3
69.04547	0.9
70.06594	2.4
71.27303	0.2
71.27645	0.4
72.08155	1.7
84.04511	0.3
84.08147	4.2
86.09702	1.5
94.04042	0.4
95.02449	2.0
98.10586	0.2
101.00883	0.4
101.10806	0.3
112.05096	100.0
116.07108	1.1
119.01922	0.6
125.17504	0.2
129.10194	0.5
131.96146	0.5
158.08160	0.2
161.02965	0.4
164.07123	0.3
164.38823	0.2
173.03021	0.2
193.28229	0.2
217.05077	0.4
227.13863	0.3
244.04659	0.3
244.16631	1.5
245.04721	0.7
262.03247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2843
Annotation	1-Hexadecylamine
Peak:m/z	Relative Intensity
55.05505	0.5
56.96547	1.3
57.07073	1.8
57.95505	0.4
58.06591	1.1
58.70399	0.3
60.15761	0.3
69.07055	0.3
69.68188	0.3
71.51854	0.4
72.08167	0.7
74.09721	0.9
80.62695	0.3
81.07062	0.5
83.82936	0.3
84.08157	0.5
86.09698	0.5
91.05489	0.8
95.08600	0.4
98.09715	0.7
98.97587	0.5
100.10600	0.6
100.11259	11.5
116.98631	0.5
120.08109	0.4
128.14360	1.2
130.15929	3.5
130.16829	0.5
137.06018	0.5
142.15910	29.5
184.20622	4.1
186.22180	9.2
193.51924	0.6
202.52477	0.9
210.03606	1.4
219.04175	0.9
230.25665	0.4
237.71852	0.3
242.05916	0.8
242.28429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1021
Annotation	Aspergillitine
Peak:m/z	Relative Intensity
69.03411	0.1
69.37289	0.1
70.06572	0.2
70.75600	0.2
70.75930	0.1
72.08144	0.3
79.05494	0.2
81.07052	0.3
83.43248	0.1
84.08157	0.3
86.09693	0.1
89.03899	0.1
91.05494	1.5
98.97610	0.2
103.05474	1.5
104.04991	0.8
105.03392	0.1
105.07062	0.1
106.06566	0.5
109.06537	0.4
116.04982	1.2
117.03397	0.2
119.04964	0.2
120.04404	0.1
120.08097	0.2
129.10214	0.1
130.06537	0.9
134.06023	1.8
135.04428	2.3
137.05997	2.8
144.04474	0.4
149.04701	0.2
151.03926	0.2
162.05521	3.9
165.07072	0.2
167.08560	0.5
169.21268	0.1
176.10741	0.1
178.01799	0.1
194.09627	0.3
195.08115	0.3
196.09421	0.2
213.09134	0.4
222.09145	0.4
222.11218	0.1
223.07494	0.6
223.09666	0.2
225.07869	3.9
238.08592	0.1
239.09502	0.2
240.10204	100.0
241.10545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
55.01880	0.2
55.05505	0.3
56.05028	0.3
56.96568	0.4
58.06602	14.7
60.04509	0.8
69.03419	0.4
70.06598	4.0
70.32072	0.4
70.32410	0.2
72.08160	1.6
73.02897	0.3
74.09677	0.2
81.03407	0.6
81.06999	0.2
83.04993	0.2
83.78535	0.2
84.04520	1.1
84.08146	8.9
85.02898	0.4
85.06503	0.3
86.09669	0.4
91.05492	0.3
95.04953	0.2
97.02861	0.3
98.06049	0.5
98.09701	1.2
98.97588	2.3
100.11257	0.4
101.00873	0.5
104.10741	0.2
110.07169	2.3
114.05481	0.4
116.07076	0.6
116.10742	0.2
116.98615	0.9
119.01931	1.0
119.02657	0.2
119.04860	0.2
121.75809	0.2
126.05524	0.5
126.09151	0.2
127.40549	0.2
128.10727	2.9
129.10231	0.4
130.10593	0.2
131.01903	0.4
136.06140	0.2
136.07573	0.2
137.05957	2.3
138.96361	0.2
139.64832	0.2
143.01878	0.5
144.10191	0.9
145.03484	0.2
150.09157	0.2
152.04691	0.2
152.07014	0.2
154.08583	0.8
156.07666	0.7
156.97481	1.1
157.01642	0.2
157.97577	0.3
160.06580	0.3
161.02988	0.4
168.10208	0.8
173.02936	0.2
174.98560	0.5
177.00731	0.4
183.11234	0.5
185.02939	0.3
195.05026	0.3
196.09688	5.1
198.11151	0.2
198.98502	1.2
199.00272	0.3
199.98659	0.3
200.07680	1.0
213.15984	0.4
216.99596	0.6
217.99698	0.3
218.08737	1.5
219.03691	0.2
224.03754	0.3
235.11882	0.4
241.15472	100.0
242.15829	0.4
245.04953	0.3
249.92039	0.2
258.99799	0.2
259.02573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03159	0.6
55.01868	0.9
56.96551	1.2
56.96828	0.3
61.05314	0.3
64.36185	0.4
65.03947	0.4
67.05498	0.5
68.01392	0.4
68.02651	0.5
69.03433	0.6
70.06600	2.0
70.06924	0.4
72.08147	0.4
75.04507	0.4
80.02662	0.5
81.03458	0.6
81.07050	0.6
82.03728	0.7
82.04202	10.7
84.08134	1.7
85.02917	0.5
86.09701	0.9
91.05473	1.0
95.01388	0.3
98.97583	1.5
103.05458	0.9
103.74582	0.3
105.03387	0.5
106.06557	0.5
107.04934	0.4
108.02094	0.9
109.02881	1.4
110.01318	0.4
110.03671	8.2
110.07201	0.7
116.98609	0.6
120.04414	0.4
120.08115	0.7
122.02419	3.0
129.10233	0.9
130.06522	0.5
134.06032	0.6
135.04443	0.5
137.05972	0.9
138.03174	2.6
150.01874	23.5
161.01125	1.3
161.81030	0.3
162.05508	1.3
165.04227	11.1
165.10286	0.4
167.08533	0.4
169.05165	0.4
178.01366	15.0
180.06540	0.9
181.08627	0.8
193.03714	100.0
194.04155	0.4
208.05943	1.9
222.11333	0.5
225.06317	53.4
240.08273	3.7
240.10460	33.3
240.12440	0.8
240.15625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08316	0.2
52.92674	0.3
56.96552	0.3
57.03446	0.3
57.07067	0.6
63.02360	0.2
69.03435	0.5
69.36831	0.8
69.37251	1.0
70.06594	0.8
72.08159	0.6
74.06060	0.3
74.55717	0.2
84.04488	0.3
84.08147	1.2
85.06548	1.4
86.09698	1.4
89.03921	4.7
90.41221	0.3
91.05486	0.6
98.97590	1.1
105.03400	2.1
116.98598	0.4
117.03385	17.5
129.10226	0.6
130.06517	0.6
132.08054	0.3
134.03650	1.2
135.04422	0.6
145.02853	50.2
146.06006	0.3
149.05994	7.4
156.04495	0.5
158.99551	0.3
163.03943	0.3
163.52763	0.3
165.05499	0.3
168.19766	0.3
174.05542	0.5
176.07098	0.3
177.05478	100.0
178.05830	0.5
178.08662	0.4
185.09511	0.4
186.05458	0.7
191.63663	0.3
192.10216	0.4
201.00804	0.4
203.10722	0.4
204.06641	0.4
205.55641	0.6
214.87186	0.3
219.01680	0.3
221.11711	2.1
238.08505	0.7
238.10754	6.0
238.14389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1235
Annotation	Phe Ala
Peak:m/z	Relative Intensity
50.01577	0.1
55.01876	0.3
55.05501	0.6
56.05025	0.5
56.96568	0.8
57.07077	0.4
59.46533	0.1
60.04515	0.3
61.01161	0.1
65.03947	0.1
67.05500	0.5
69.03432	0.3
69.07079	0.9
69.87959	0.2
70.02979	0.3
70.06598	5.5
71.04984	0.3
71.06893	0.2
71.08210	0.3
72.08160	2.7
74.02436	0.2
79.05482	0.5
79.39499	0.2
80.05035	0.2
81.03460	0.2
81.07053	0.5
83.04993	0.3
84.04498	0.9
84.08151	4.6
85.02908	0.3
86.09714	2.7
88.04000	0.7
88.25501	0.2
90.05561	0.5
90.94863	0.2
91.05477	1.5
93.07051	1.9
94.06599	0.2
95.04986	0.3
95.06075	0.2
95.08608	0.3
95.35729	0.1
96.08163	0.1
97.02850	0.2
97.06508	0.3
98.97597	0.8
102.05544	0.2
103.04809	0.3
103.05475	5.0
103.06159	0.3
105.07035	0.6
107.04952	0.4
107.08585	0.4
110.07152	0.7
112.08757	0.4
116.07100	0.4
116.98620	0.4
118.06550	0.5
119.04972	0.5
119.07369	0.2
119.08552	0.1
120.08112	100.0
121.02730	0.2
121.06504	0.4
121.08437	0.4
121.10101	0.2
125.09781	0.1
128.05045	0.2
129.10249	2.0
130.04980	0.2
130.06461	0.2
130.08638	0.3
131.04936	0.5
135.04477	0.2
135.08034	0.3
135.11697	0.2
136.05135	0.2
136.07605	0.7
136.93132	0.2
137.05994	1.4
141.10266	0.2
143.04868	0.2
146.06032	1.5
146.09651	1.1
147.11356	0.3
149.05986	0.2
152.07086	0.1
154.94237	0.3
158.09305	0.2
161.06009	0.5
163.03931	0.3
163.05904	0.3
163.07605	0.2
164.07106	0.8
164.11879	0.2
168.05115	0.2
172.95332	0.3
174.05557	0.2
175.11882	0.2
177.05540	0.3
178.08670	0.6
183.14958	0.2
190.92531	0.2
191.11908	0.4
192.06573	0.5
192.10170	1.4
201.12383	0.4
201.57097	0.2
210.57634	0.2
213.97086	0.2
219.08441	1.6
219.13838	0.3
219.58150	0.3
220.06158	0.2
220.09779	0.6
224.92622	0.2
226.11885	0.2
228.09509	0.3
228.59427	0.2
229.73584	0.2
237.07401	0.4
237.09586	1.7
237.12405	5.4
237.14790	0.3
237.22133	0.6
244.16647	0.2
251.62164	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	236.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.7
65.30445	0.5
66.77756	0.5
71.11362	1.0
71.11702	0.7
81.07066	0.7
91.05494	1.5
92.92091	0.5
100.11236	0.5
103.05473	11.8
109.46761	0.6
115.05461	1.0
117.07024	9.1
123.04443	4.8
131.04936	36.8
131.08588	2.8
133.06450	0.6
137.05988	7.0
139.78275	0.5
144.05661	0.8
145.06494	21.4
145.07675	1.1
149.05989	100.0
149.20132	0.5
150.06270	0.9
159.08076	4.9
162.06764	1.7
163.07555	35.4
177.09134	3.8
196.21457	0.5
201.12675	1.2
219.13811	52.4
236.16460	75.8
237.16663	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57292	0.2
51.75642	0.2
53.03948	0.4
55.01871	0.3
55.05515	10.5
56.96568	1.0
57.07080	1.8
59.05010	0.7
62.99080	1.8
65.03922	0.3
67.05509	2.8
69.03439	0.4
69.07073	100.0
70.06593	1.0
70.50895	0.6
70.89335	0.2
71.05005	0.7
72.08162	0.4
79.05489	1.6
81.03400	0.2
81.07065	2.9
83.05006	0.5
83.08624	1.5
84.08149	1.1
85.06550	0.3
86.09722	0.5
91.05508	0.9
93.07061	1.3
95.05001	0.4
95.08622	1.7
97.06584	0.4
98.97613	1.1
105.07028	1.2
107.04977	1.0
107.08601	1.7
108.99609	0.7
109.06535	0.5
109.10171	1.7
111.08093	0.3
111.11729	14.9
116.98609	0.3
117.03384	0.3
117.07050	0.5
119.08610	0.5
120.08125	0.8
121.06560	0.4
121.10196	0.8
123.04504	0.2
123.08150	0.3
123.11752	0.5
125.09643	0.4
129.10240	0.6
129.56198	0.2
131.04967	0.3
131.08589	0.9
133.10175	0.8
135.06898	0.3
135.08063	0.3
135.11676	1.3
143.10687	0.2
144.05818	0.2
145.02921	0.6
145.10181	0.9
145.66536	0.2
149.06064	0.3
149.09671	0.3
150.06383	0.5
159.08405	0.8
159.11725	1.1
161.13339	0.8
163.14906	0.3
173.13322	0.3
177.00862	0.2
177.03938	0.4
177.05548	1.3
177.12787	0.5
184.54538	0.4
193.55000	0.8
201.09412	0.2
201.16518	0.6
202.55571	0.8
205.05748	0.3
210.04417	0.2
219.08426	0.3
219.10504	7.8
219.13846	0.4
219.17497	0.6
221.79959	0.2
224.02318	0.4
237.05617	0.3
237.09181	1.3
237.11679	1.9
237.14917	0.7
237.18626	1.3
237.22169	0.4
249.50922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
56.96560	0.5
57.03432	0.2
57.07072	0.6
58.06595	2.4
59.07379	1.7
60.04517	0.5
67.05507	0.2
69.03417	0.3
69.58791	0.9
70.06593	0.9
72.08161	2.0
73.02917	0.2
74.06076	0.4
74.09743	0.2
76.54935	0.2
81.03405	0.2
82.05315	0.2
83.04962	0.2
83.06091	0.2
84.04511	0.4
84.08139	0.7
85.02903	0.4
85.08471	0.2
86.09715	0.4
89.10793	0.6
91.05492	0.6
93.66609	0.1
97.02903	0.3
98.50879	0.2
98.97590	1.5
101.00890	0.2
107.04965	0.2
108.46025	0.2
110.07172	1.3
110.97609	0.3
116.98631	0.5
118.08659	100.0
119.01939	0.3
119.04987	1.0
119.09066	0.2
120.08125	0.6
121.06461	0.2
123.04450	0.2
128.98592	0.2
129.10191	0.4
130.05022	0.2
132.10246	1.0
136.07603	0.4
137.05960	0.5
144.08119	0.4
147.04417	4.7
149.05983	0.4
150.05502	0.2
156.07693	0.6
158.99721	0.2
162.05484	0.2
162.09149	0.3
167.07059	0.6
175.04643	0.1
177.05505	0.4
179.10689	0.5
190.08623	1.0
207.11310	0.3
218.08113	3.6
218.11731	0.5
223.05481	0.3
235.06566	0.3
235.11819	0.5
235.14438	0.9
235.16785	2.1
236.09186	2.7
255.14543	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0921
Annotation	Thalflavine
Peak:m/z	Relative Intensity
53.03949	0.4
55.01866	0.9
55.05502	1.2
56.05039	1.5
56.70381	0.5
56.96560	1.3
57.03434	0.7
57.07066	0.3
58.06597	0.5
60.04523	3.5
60.23412	0.3
61.02923	0.5
63.50767	0.3
65.20551	0.3
68.05019	0.4
69.03430	2.1
69.07062	0.9
70.02952	0.5
70.06597	8.2
70.24290	0.7
70.24679	0.9
72.08164	4.5
73.02901	1.0
73.08488	0.5
74.02406	0.5
74.06065	1.1
79.05497	1.0
81.03432	0.7
84.04519	2.7
84.08151	6.7
85.02905	2.9
85.03976	0.4
85.08459	0.5
86.06066	0.5
86.09714	3.7
87.04459	1.0
87.05581	0.4
88.04001	0.5
91.05491	2.9
94.06569	1.0
95.04964	0.4
97.02906	4.1
98.06062	0.5
98.97596	2.3
99.04480	0.4
100.07602	0.6
101.00880	1.4
102.05578	0.4
103.05412	0.5
104.10747	0.4
105.07038	0.7
106.05013	1.2
106.06571	0.8
107.04925	1.4
109.02895	0.5
109.06463	0.4
110.07176	6.1
111.07472	0.5
113.02366	3.4
115.03929	0.8
115.05480	0.5
115.08677	0.4
116.04990	0.4
116.07086	0.9
116.98624	0.7
117.06993	0.5
118.08662	12.8
119.01925	1.5
119.04939	1.3
119.09018	10.6
120.08100	1.1
121.06524	0.8
122.07159	0.4
122.96951	0.4
127.03946	0.6
128.07072	1.1
129.07011	0.9
129.10271	2.6
131.04927	0.7
131.08617	0.6
132.04471	0.4
133.06487	0.9
134.06035	5.3
134.99525	0.6
135.04404	1.5
136.05255	0.8
136.06210	1.9
137.05994	5.1
138.96443	0.5
140.97919	0.5
143.01868	0.7
144.08099	1.7
145.03433	0.7
145.06543	0.8
146.04984	0.5
146.06020	4.4
147.03334	0.5
147.04388	2.4
147.08009	0.5
148.04796	3.4
148.07616	0.4
149.05968	0.5
149.09642	0.7
152.97989	2.8
153.00330	1.7
155.04674	1.5
156.07690	1.2
156.97450	2.5
158.03654	0.5
161.02983	0.7
161.05988	1.4
162.03198	0.5
162.05511	11.1
162.09155	2.3
163.03682	0.4
163.06241	1.2
163.07503	0.5
164.06984	0.6
167.07072	0.9
170.05109	0.5
170.99062	27.9
171.01331	9.1
172.07530	2.1
173.02853	0.4
173.06001	0.7
174.07777	0.5
174.98595	1.3
175.06242	0.6
175.07632	0.5
176.07095	0.5
177.05458	0.9
177.09203	0.7
178.05978	0.5
178.08563	0.5
185.02911	0.4
187.04547	0.5
189.00108	22.3
190.02740	0.5
190.08636	12.3
191.09096	0.6
194.00705	0.6
194.03116	0.9
194.05270	1.6
194.99135	1.1
195.01349	0.5
195.05029	2.4
198.98521	0.7
199.05559	0.6
200.07098	0.5
200.99994	0.4
203.03987	0.7
203.53456	0.9
207.05072	0.4
208.09698	1.7
212.06035	0.6
213.00133	15.9
213.02428	2.0
213.06073	1.0
213.09692	0.5
218.08133	98.7
218.57249	0.7
219.08690	1.8
219.11952	0.4
220.09766	1.3
227.06741	0.5
227.08710	1.0
231.01184	19.5
231.03392	1.1
231.07217	0.6
231.11017	0.9
236.09186	100.0
236.14256	2.9
236.17195	1.7
237.02567	0.5
237.06227	1.3
237.09430	0.7
237.12230	0.8
245.05112	0.8
254.07172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1555
Annotation	Benzoylagmatine
Peak:m/z	Relative Intensity
53.03936	1.2
55.05505	1.6
56.96559	1.6
57.03458	0.6
57.07076	1.4
58.32943	0.4
60.04517	0.8
60.05654	0.7
63.39006	0.4
65.03936	0.6
65.51159	0.4
67.05502	1.2
69.03432	0.9
70.06586	2.0
70.83440	0.8
71.04951	0.6
72.08157	10.8
73.02892	0.5
73.04042	1.2
73.58308	0.4
77.03904	0.8
79.05491	1.6
81.03417	1.4
81.07040	0.8
84.08143	2.2
86.09707	1.5
87.04431	0.5
89.06353	0.4
89.10796	1.8
91.05487	2.6
92.24010	0.4
93.07038	1.3
95.04977	1.1
95.08630	0.6
97.02892	0.6
97.07642	1.1
98.06067	2.0
98.97584	7.7
104.05002	0.6
105.03394	100.0
105.07033	1.3
107.04971	0.5
107.08597	2.1
110.07181	0.8
110.19380	0.4
110.97566	1.3
114.10299	1.9
115.07880	0.6
115.08689	12.0
116.98627	1.9
118.08633	0.7
119.04957	5.5
119.08569	0.6
121.06503	0.6
121.10178	0.9
122.06020	2.6
123.04434	0.5
123.08074	0.7
128.98610	0.9
129.06979	0.6
131.08575	1.4
133.10138	0.6
134.06024	6.2
134.99693	0.5
136.07532	0.5
137.05943	1.2
145.10150	0.7
147.04410	25.7
147.11700	1.1
149.09659	0.9
157.06554	0.5
158.99667	3.2
161.05917	0.4
167.10680	0.9
170.99695	0.6
172.07698	0.4
174.06674	0.4
175.07507	1.1
175.12326	31.5
176.10713	51.5
177.00725	1.5
177.05486	0.6
179.10661	1.3
180.20915	0.4
184.05717	0.8
185.06102	0.4
189.09145	0.9
191.10677	0.8
193.06256	0.9
193.13457	2.4
199.02588	0.5
209.11842	0.5
214.04929	0.7
214.06819	1.4
217.08633	0.8
217.12296	0.5
218.12996	19.7
219.01854	0.6
223.05536	1.4
235.15538	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
55.01849	1.2
55.05511	4.6
56.96554	2.6
57.07059	1.8
67.05502	9.1
69.03457	0.8
69.07066	5.2
69.18557	0.7
71.01320	0.9
71.51463	0.8
73.02899	1.8
79.05074	0.9
79.05491	10.2
81.07057	31.0
83.08601	2.6
91.05482	17.2
91.14033	0.8
93.06480	1.6
93.07048	21.0
95.04953	1.5
95.08611	22.3
96.95794	1.0
97.10155	1.5
98.97574	1.5
105.07031	36.6
107.04951	1.9
107.08591	17.7
109.06504	1.3
109.10158	6.7
111.08112	1.0
115.05458	1.4
116.06239	1.5
117.07016	7.1
119.04919	1.5
119.08588	16.9
121.06493	2.4
121.10152	8.1
123.11702	1.4
125.06005	1.7
129.07024	2.4
130.07791	1.5
131.08574	37.2
133.06500	1.9
133.10139	10.7
135.04457	0.9
135.08011	1.9
135.11658	1.9
137.05954	3.0
139.07561	3.8
141.06940	0.9
142.07724	0.8
143.08591	2.4
144.09384	1.3
145.10124	38.1
147.07996	1.3
147.11690	9.6
149.05988	1.8
151.07515	2.8
155.08574	4.5
156.09344	1.0
157.10114	3.0
158.10912	0.9
159.08098	5.1
159.11687	17.1
161.13255	11.4
163.07582	3.0
167.08539	1.0
168.94150	1.1
169.10139	3.0
171.11652	1.6
172.12363	0.8
173.09610	3.7
173.13292	3.6
177.05453	2.2
177.09126	11.6
177.56731	1.0
178.06184	1.8
178.96045	1.4
182.10864	2.9
185.13283	1.3
186.95226	2.0
187.02422	1.0
187.11328	4.0
187.14825	100.0
189.16397	1.9
191.10648	2.9
191.14328	1.7
195.52585	0.8
197.13252	8.1
205.15944	5.2
215.14323	26.1
215.17711	1.4
232.17616	0.8
233.08087	1.4
233.11690	2.3
233.15361	53.8
233.19104	2.6
241.43436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.8
53.03937	4.0
55.01865	3.1
55.05516	12.8
56.96548	5.1
57.07067	2.7
65.03938	3.0
67.05508	15.8
69.03418	6.0
69.07073	10.3
70.06577	3.5
71.04974	4.6
71.51535	1.8
77.03911	1.9
79.05495	21.2
81.03415	4.6
81.07056	33.2
83.04964	2.4
83.08602	2.2
85.02902	4.1
85.06544	1.9
86.09694	4.7
91.05482	35.9
93.07047	52.0
95.04990	8.5
95.08616	35.5
95.89198	1.8
97.02924	1.7
97.06524	9.8
98.97626	2.4
99.04485	4.1
103.05453	6.2
105.07038	55.7
107.04963	5.4
107.08598	47.8
109.02911	2.3
109.06520	9.2
109.10154	11.0
111.08060	7.2
113.02374	1.7
113.06030	2.9
115.05442	7.8
116.06227	4.0
117.07024	18.3
119.04957	4.3
119.08585	46.4
120.08058	8.1
121.06503	8.4
121.10138	34.9
123.08063	6.2
123.11641	2.3
125.06012	3.9
129.07013	8.4
130.07664	2.1
131.04915	3.4
131.08591	32.5
133.06462	3.3
133.10146	32.5
134.10912	7.6
135.08070	11.3
135.11667	8.8
137.05983	14.2
137.09625	3.5
139.07549	4.5
141.06987	2.7
142.07820	2.5
143.08525	6.7
144.05695	6.2
144.09352	4.3
145.06491	14.7
145.10136	52.6
147.04343	3.8
147.08083	4.0
147.11688	18.8
149.06013	2.7
149.09622	5.1
151.03891	2.2
153.09027	2.7
155.06059	3.8
155.08514	3.8
157.10149	11.9
158.07285	3.8
158.10913	2.2
159.08078	13.5
159.11700	42.3
160.05159	2.5
161.05983	4.9
161.09621	2.3
161.13297	5.3
163.07545	3.4
163.11191	6.1
165.09103	3.8
169.10146	2.6
171.11626	3.9
172.05179	19.8
172.08836	2.1
173.05968	6.8
173.09608	16.3
173.13252	13.2
174.06767	4.0
175.11217	8.2
177.09145	14.9
177.12674	3.1
182.10902	2.1
185.04492	1.9
187.07593	3.6
187.11232	10.3
187.14830	56.1
189.05397	1.9
189.09151	4.7
189.12706	2.6
189.16371	3.9
190.06232	2.8
191.05431	2.1
191.06989	2.1
191.10670	4.7
191.14322	3.4
195.04950	3.2
197.09570	2.0
197.13289	8.6
200.04677	5.7
201.05487	4.1
203.07059	4.2
205.06636	3.7
205.08614	8.7
205.15793	4.8
210.05467	2.6
215.07039	4.2
215.10751	6.5
215.14323	33.5
215.17960	6.6
218.05719	8.2
233.06047	3.6
233.08031	49.2
233.11760	6.8
233.15372	100.0
233.18845	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	233.1537
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
51.02368	1.8
53.03937	4.0
55.01865	3.1
55.05516	12.8
56.96548	5.1
57.07067	2.7
65.03938	3.0
67.05508	15.8
69.03418	6.0
69.07073	10.3
70.06577	3.5
71.04974	4.6
71.51535	1.8
77.03911	1.9
79.05495	21.2
81.03415	4.6
81.07056	33.2
83.04964	2.4
83.08602	2.2
85.02902	4.1
85.06544	1.9
86.09694	4.7
91.05482	35.9
93.07047	52.0
95.04990	8.5
95.08616	35.5
95.89198	1.8
97.02924	1.7
97.06524	9.8
98.97626	2.4
99.04485	4.1
103.05453	6.2
105.07038	55.7
107.04963	5.4
107.08598	47.8
109.02911	2.3
109.06520	9.2
109.10154	11.0
111.08060	7.2
113.02374	1.7
113.06030	2.9
115.05442	7.8
116.06227	4.0
117.07024	18.3
119.04957	4.3
119.08585	46.4
120.08058	8.1
121.06503	8.4
121.10138	34.9
123.08063	6.2
123.11641	2.3
125.06012	3.9
129.07013	8.4
130.07664	2.1
131.04915	3.4
131.08591	32.5
133.06462	3.3
133.10146	32.5
134.10912	7.6
135.08070	11.3
135.11667	8.8
137.05983	14.2
137.09625	3.5
139.07549	4.5
141.06987	2.7
142.07820	2.5
143.08525	6.7
144.05695	6.2
144.09352	4.3
145.06491	14.7
145.10136	52.6
147.04343	3.8
147.08083	4.0
147.11688	18.8
149.06013	2.7
149.09622	5.1
151.03891	2.2
153.09027	2.7
155.06059	3.8
155.08514	3.8
157.10149	11.9
158.07285	3.8
158.10913	2.2
159.08078	13.5
159.11700	42.3
160.05159	2.5
161.05983	4.9
161.09621	2.3
161.13297	5.3
163.07545	3.4
163.11191	6.1
165.09103	3.8
169.10146	2.6
171.11626	3.9
172.05179	19.8
172.08836	2.1
173.05968	6.8
173.09608	16.3
173.13252	13.2
174.06767	4.0
175.11217	8.2
177.09145	14.9
177.12674	3.1
182.10902	2.1
185.04492	1.9
187.07593	3.6
187.11232	10.3
187.14830	56.1
189.05397	1.9
189.09151	4.7
189.12706	2.6
189.16371	3.9
190.06232	2.8
191.05431	2.1
191.06989	2.1
191.10670	4.7
191.14322	3.4
195.04950	3.2
197.09570	2.0
197.13289	8.6
200.04677	5.7
201.05487	4.1
203.07059	4.2
205.06636	3.7
205.08614	8.7
205.15793	4.8
210.05467	2.6
215.07039	4.2
215.10751	6.5
215.14323	33.5
215.17960	6.6
218.05719	8.2
233.06047	3.6
233.08031	49.2
233.11760	6.8
233.15372	100.0
233.18845	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05507	0.4
56.05042	16.8
56.96582	0.7
57.03440	2.7
57.62571	0.4
58.06602	3.6
61.72859	0.4
69.07068	0.6
70.06612	0.6
70.94505	1.0
72.08173	2.7
74.06086	100.0
80.04919	0.4
82.51550	0.4
84.04510	2.8
84.08148	0.9
85.02926	0.5
86.09712	23.1
91.46991	0.4
101.07153	1.9
104.45384	0.4
124.11189	0.4
126.12791	0.6
129.10269	0.6
132.10217	18.6
134.08122	1.1
141.13947	0.4
142.12248	0.9
143.11792	0.7
169.13362	1.8
174.06767	0.4
187.14439	11.3
215.13913	6.0
233.14998	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	233.1535
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03928	2.6
53.97230	0.9
55.01862	3.8
55.05515	6.5
55.19652	1.3
56.96551	2.1
57.03136	0.8
57.03425	1.6
57.07059	2.6
59.04990	1.0
63.06842	1.1
65.03919	2.2
65.19108	1.0
67.05508	15.1
69.03436	8.4
69.07072	17.6
70.06572	1.9
71.04996	5.9
71.18002	2.3
72.08162	1.9
79.05499	21.0
81.03420	2.3
81.06597	1.8
81.07056	31.6
83.04970	4.2
83.08635	2.6
84.08106	1.7
85.02904	2.2
85.06548	1.8
86.09686	4.1
87.04456	1.0
91.05481	42.2
93.07045	37.0
93.64650	1.0
95.04978	10.1
95.08611	26.8
97.02866	1.7
97.06545	13.7
97.10130	1.4
98.97548	2.0
99.04457	4.0
100.28389	1.0
103.05439	3.5
105.07034	61.2
107.04967	13.5
107.08598	30.4
109.06528	7.6
109.10168	6.6
111.04436	2.5
111.08075	5.8
111.52966	1.0
113.05987	1.3
115.05402	5.6
116.06224	3.2
117.07017	22.9
119.04951	20.3
119.08585	42.8
120.08115	2.4
121.06512	21.1
121.10156	19.6
123.04409	1.2
123.08087	5.0
125.05956	2.7
125.09606	1.4
127.05418	1.2
127.07549	1.9
128.06213	3.9
129.07005	7.4
130.07774	8.7
131.04929	3.9
131.08575	28.1
133.06476	5.8
133.10133	23.8
133.96713	1.0
134.10896	7.5
135.04407	2.8
135.08069	6.1
135.11748	6.6
137.05983	39.7
137.09596	3.8
137.13179	1.0
139.07550	4.7
141.06993	4.5
142.07762	1.8
143.08553	7.9
144.05687	2.3
144.09338	5.1
145.06500	14.6
145.10126	83.4
147.08078	4.6
147.11685	16.2
148.08803	1.8
149.05945	2.8
149.09639	2.5
151.07579	2.4
153.06969	1.3
153.09076	1.9
154.07785	3.1
155.06046	1.8
155.08527	4.0
156.09341	2.0
157.06512	1.8
157.10127	6.4
158.07266	6.3
158.10944	1.2
159.04411	1.5
159.08064	8.6
159.11696	39.8
160.05197	1.2
161.05966	2.5
161.09583	2.8
161.13264	5.6
163.07523	4.6
163.11185	36.7
165.09152	2.3
165.10542	1.3
167.08530	1.6
169.06424	1.1
169.10133	8.7
171.08034	1.8
171.11707	3.1
172.05165	2.6
172.08807	3.0
172.12468	1.6
173.06110	5.5
173.09628	100.0
173.13197	9.5
174.06755	4.0
175.07567	2.8
175.11177	4.6
177.09138	9.6
177.12776	2.5
178.07785	1.2
179.08557	4.4
179.14349	1.2
181.06453	1.4
182.07251	3.0
182.10864	1.1
187.07549	3.1
187.11194	33.0
187.14812	43.7
189.09058	2.6
189.12738	3.9
189.16385	3.5
190.06273	1.4
191.05258	1.1
191.06961	1.6
191.10680	6.6
191.14307	1.9
197.09627	9.3
197.13231	3.8
201.05516	2.3
205.06660	1.7
205.08607	4.9
205.12225	5.9
205.15872	3.7
215.07097	2.0
215.08684	1.7
215.10713	27.4
215.14273	19.2
215.17807	1.4
233.06047	1.5
233.08072	17.3
233.11757	29.1
233.15352	67.4
233.18950	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.02384	0.6
53.03946	2.6
55.01874	5.2
55.05515	3.1
55.88744	0.5
56.96553	0.8
57.03432	1.3
65.03941	1.7
67.05507	7.1
69.03430	5.9
69.07069	22.6
70.06590	1.9
71.04990	3.7
71.52178	0.6
72.08146	0.7
77.03934	1.2
79.05494	21.0
81.03413	2.0
81.07054	11.7
83.05000	2.8
84.04501	0.7
84.08109	1.1
85.02921	1.0
85.06577	0.9
86.09718	2.6
86.97392	0.5
87.00828	0.9
87.04501	0.8
91.05479	37.9
93.07043	17.8
95.04977	7.6
95.08605	5.4
97.06533	16.3
99.04449	5.0
103.05461	2.2
105.04529	0.9
105.07032	36.4
107.04961	16.8
107.08595	9.8
109.06529	6.9
109.10154	2.4
111.04420	1.0
111.06725	0.6
113.05999	0.8
115.05431	3.5
116.06242	1.4
117.07014	16.2
119.04941	32.8
119.08579	21.5
120.08112	1.4
121.05663	1.1
121.06511	16.5
121.10132	3.8
123.04443	1.5
123.08054	2.3
125.05984	1.4
127.07544	1.2
128.06235	2.4
129.07031	5.8
130.07779	8.5
131.04904	2.9
131.08560	15.7
131.09538	0.9
133.06493	4.8
133.10136	10.8
134.10905	2.2
135.04378	2.9
135.08057	3.6
135.11714	3.8
136.05180	1.4
137.05978	66.1
138.06351	0.7
139.07504	1.0
141.06981	3.6
142.07796	1.3
143.08559	7.8
144.05695	1.0
144.09341	3.5
145.06491	8.0
145.10123	68.9
146.07303	0.9
147.04385	0.7
147.08055	3.1
147.11696	8.0
148.08820	2.0
149.05994	2.4
149.09607	0.9
151.07565	0.8
153.07007	1.8
154.07788	4.2
155.08543	3.5
156.09352	1.2
157.06465	1.2
157.10150	2.4
158.07266	6.6
159.08064	6.3
159.11690	25.0
161.05994	0.9
161.09615	1.6
161.13216	1.1
163.03896	2.3
163.07526	1.8
163.11185	61.9
164.04277	0.9
167.08601	1.0
169.10130	9.7
171.08002	0.9
171.11674	2.5
172.05148	1.7
172.08841	2.9
173.06050	2.3
173.09624	100.0
173.13161	2.2
174.06740	1.2
174.10280	0.9
175.07452	2.7
175.11139	1.0
177.09146	2.2
177.12691	1.5
179.08578	2.3
180.02492	0.9
182.07202	3.2
187.07556	1.5
187.11189	38.1
187.14769	7.5
189.03102	1.1
189.09148	1.1
189.12781	3.3
191.06955	0.7
191.10663	6.5
197.09634	10.3
201.05450	0.7
205.08553	1.6
205.12224	6.9
212.03445	0.6
215.07317	1.2
215.10684	32.0
215.14029	4.2
217.10664	0.7
218.05659	0.8
233.08153	6.4
233.11722	38.4
233.15295	15.3
233.19005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86636	4.7
56.05031	6.4
58.06590	5.9
59.32752	5.3
60.04526	6.4
60.08150	10.4
60.99619	5.1
61.02913	7.3
61.36465	5.3
69.07061	8.0
70.06598	58.7
71.06935	7.3
71.50719	6.8
72.08157	18.2
72.99595	4.3
73.02920	5.1
74.06088	12.1
84.04507	16.6
84.08142	50.9
86.09704	72.3
87.98875	5.2
88.03975	8.4
101.00878	40.8
101.09605	4.8
103.00628	29.3
103.02456	6.6
109.68030	4.8
116.07101	17.9
119.01922	61.0
119.74245	4.8
121.01685	45.2
127.02415	5.9
127.08630	6.9
129.10239	20.3
130.08665	13.6
131.01907	5.8
132.01939	6.6
133.01642	7.2
133.03505	13.0
135.03175	7.8
137.02950	6.5
139.02649	8.4
142.08672	11.3
143.01930	10.6
145.03474	23.8
149.54858	14.5
151.69647	5.5
156.97437	18.7
157.03499	13.5
158.08076	6.0
159.01430	11.6
159.05011	26.6
161.02995	21.2
163.04514	8.1
167.01909	14.5
169.03459	6.4
170.99345	9.7
175.04608	7.9
177.06094	5.1
177.07819	8.7
185.02962	100.0
185.04591	6.8
187.00914	6.2
187.04539	24.0
189.00471	16.1
189.02490	18.7
196.06068	8.0
198.98842	5.7
201.02507	8.7
203.03992	23.5
205.05646	6.0
207.01595	6.5
208.04544	49.0
213.00182	13.0
216.99898	16.4
219.03505	10.6
230.15782	52.1
230.99123	10.3
231.01149	12.6
231.03081	10.1
231.09842	8.2
231.13979	6.5
231.14499	7.1
231.17091	62.2
249.04468	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	231.1705
Annotation	Val Ile
Peak:m/z	Relative Intensity
51.50247	0.2
53.03935	0.4
54.33821	0.2
55.05517	10.2
56.05043	0.5
57.05819	1.1
69.03435	0.2
70.06590	0.3
70.67673	0.6
72.08160	100.0
84.08141	0.4
86.09711	5.5
99.97072	0.2
116.07109	0.4
121.79596	0.2
129.10185	0.2
132.10219	3.5
153.35074	0.2
169.56374	0.2
179.36453	0.2
185.16547	1.0
231.17039	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	232.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
64.94315	0.4
68.05009	0.7
69.03427	0.8
69.45017	0.6
69.45428	2.4
70.06596	50.3
71.05002	0.5
77.03370	0.4
79.05477	1.7
79.87476	0.4
84.08147	0.6
84.48202	0.4
85.96681	0.4
86.09700	2.3
87.00814	0.5
89.03916	7.7
91.05495	0.8
93.06991	0.4
93.22566	0.4
96.03919	0.4
96.04488	1.3
104.03493	0.9
105.07008	0.9
107.04943	2.8
109.02827	0.5
112.03962	0.7
116.03471	1.0
117.03380	12.0
126.70817	0.4
126.96400	0.5
130.06532	0.7
131.00763	0.4
132.19150	0.4
135.04414	21.5
137.05972	0.6
145.02855	15.2
145.03995	1.0
163.03906	100.0
172.09689	4.2
175.06287	0.7
195.37253	0.4
232.06148	0.6
232.09688	6.0
232.13228	2.4
232.17097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
57.66142	0.3
68.05022	0.8
69.07068	0.7
70.06596	48.1
71.18332	0.6
72.78965	0.3
79.02637	0.3
79.05489	1.6
81.07082	0.5
81.73050	0.3
84.08167	0.4
85.02921	0.3
86.09707	4.9
87.00826	0.7
88.03994	0.3
89.03922	7.7
91.05502	0.4
93.07079	0.3
95.05000	0.5
96.04511	1.1
98.08881	0.3
104.03471	1.1
105.07044	0.4
107.04965	2.6
112.03982	1.2
116.03456	1.4
117.03383	12.4
119.08637	0.4
121.06470	0.4
133.10149	0.3
135.04422	23.2
135.08009	0.5
136.25220	0.3
145.02861	14.4
145.03951	0.5
145.10088	0.4
154.08592	0.6
159.15614	0.3
163.03911	100.0
164.04263	0.4
172.09683	7.0
186.05464	0.4
200.09241	0.3
202.18141	0.3
232.06128	0.7
232.09723	5.5
232.11566	0.3
232.13428	1.2
232.17001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91926	0.3
55.55111	0.3
56.05021	1.2
56.96556	0.7
58.06559	0.4
58.48734	0.4
60.05635	0.8
61.01147	2.6
69.07067	3.3
69.75863	2.1
70.06575	1.7
72.08153	2.4
74.04931	0.4
82.99831	4.1
84.04492	0.4
84.08134	2.8
85.02904	0.6
86.09708	40.4
97.06532	4.4
98.97581	1.2
100.02483	1.3
100.97134	0.7
101.00883	22.5
101.07220	0.5
102.74801	0.4
104.05327	1.4
104.07085	0.9
110.02348	0.5
112.02457	1.1
113.00855	0.5
116.07082	0.8
118.03519	3.7
118.08645	0.5
119.01924	33.8
120.01894	0.4
126.04038	0.6
129.10243	2.3
130.03488	1.2
131.01932	1.9
136.05266	0.5
137.02948	5.1
142.03516	0.4
144.05069	1.7
144.08652	0.6
145.41365	0.4
149.02968	0.4
149.22379	0.4
152.89574	0.4
154.03532	1.0
155.05554	0.9
156.01389	0.7
157.03473	1.7
161.09222	0.5
168.08719	3.9
172.04555	1.5
173.06622	1.2
174.02492	0.8
175.11971	0.4
183.36377	0.5
184.04529	1.3
186.09766	31.0
187.02727	0.5
187.09981	0.4
191.03908	0.7
191.07652	0.4
196.08174	1.6
197.06551	2.2
202.05614	2.1
204.10805	6.2
205.03864	1.9
209.05150	0.4
214.09248	41.1
215.02090	2.3
215.07619	2.9
220.57028	0.4
232.05121	6.9
232.10307	100.0
233.03250	2.2
233.08690	1.2
233.10686	0.9
234.22243	0.4
239.31096	0.4
254.98264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1173
Annotation	Mexicanin E
Peak:m/z	Relative Intensity
50.84833	1.6
53.03944	4.5
55.01875	9.7
55.05496	5.8
56.96551	2.5
57.03423	1.6
65.03908	3.4
67.05511	15.6
69.03445	12.6
69.07055	5.1
69.80919	1.6
70.06567	3.9
71.04998	8.0
71.51791	2.8
72.08132	3.6
74.06071	1.4
75.63631	1.3
79.05072	2.0
79.05492	22.9
81.03387	3.3
81.06660	1.8
81.07059	17.7
83.04952	3.5
84.08118	2.7
85.02870	1.7
85.06521	2.9
86.09704	2.3
87.04455	1.9
91.05482	36.6
93.06492	2.1
93.07048	30.2
95.04973	18.0
95.08626	9.2
97.02886	2.1
97.06507	4.5
98.97578	4.3
99.04459	15.9
103.05495	2.5
105.07036	55.5
107.04963	18.6
107.08599	12.3
109.02857	1.9
109.06511	8.6
109.10135	3.5
111.04427	3.7
113.06010	1.6
115.05441	5.6
116.06237	2.9
116.98627	2.1
117.06237	2.8
117.07022	31.6
119.04946	73.5
119.08581	23.5
120.08125	2.7
121.02858	1.7
121.06508	31.1
121.10075	5.6
123.08059	2.1
123.11675	1.8
125.05959	2.4
128.06212	6.6
129.07028	10.5
130.07811	10.1
131.04906	5.1
131.08563	30.9
133.06511	9.8
133.10146	11.9
135.04399	3.9
135.08037	6.5
135.11681	4.9
137.05980	5.5
141.06987	6.2
142.07722	2.9
143.08572	13.9
144.05702	2.1
144.09315	6.4
145.06497	22.9
145.10126	100.0
146.07268	1.7
147.08034	4.7
147.11702	11.8
148.08809	1.7
149.05959	4.1
151.07410	2.0
153.06978	3.8
154.07750	9.3
155.08546	6.4
156.09238	3.1
157.06520	2.9
157.10036	3.4
158.07220	8.0
159.08052	12.3
159.11690	55.3
161.09631	4.1
161.13275	3.0
163.07640	3.8
163.11183	76.4
169.10124	26.5
171.08037	4.4
171.11661	6.0
172.05243	3.3
172.08765	5.8
173.05989	4.0
173.09622	85.8
173.13268	3.9
175.07529	9.1
177.12787	3.2
179.08571	5.9
181.06499	2.8
182.07233	2.1
187.07610	3.2
187.11185	94.4
187.14784	4.9
189.09047	2.8
189.12706	6.3
190.06252	1.9
191.10661	12.8
197.09602	22.9
205.06642	2.0
205.08501	3.4
205.12234	17.9
215.10681	94.9
215.14059	3.8
215.17915	1.9
218.05756	2.0
233.06038	3.4
233.08026	14.5
233.11710	56.2
233.15277	14.3
233.19006	6.3
233.22293	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.18
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
55.01870	3.3
55.05513	23.8
55.30021	1.7
56.96554	11.1
57.03442	9.3
57.07060	7.3
59.04983	3.4
60.08173	13.2
61.08476	5.5
67.05511	63.0
69.07074	23.4
69.50722	8.4
69.51126	4.8
71.04993	12.7
73.06542	2.7
79.05502	15.6
81.07061	76.5
82.42771	1.9
83.04967	5.5
83.08624	19.3
85.06543	16.0
91.05486	20.8
93.07056	19.1
95.08613	100.0
96.82768	2.0
97.06538	17.7
97.10176	6.7
99.00832	3.5
99.08112	11.4
101.05994	2.3
104.74389	2.0
105.07032	27.3
105.94309	3.3
107.08590	9.9
109.06529	2.9
109.09482	2.7
109.10165	34.7
111.08076	4.9
113.09626	3.5
115.07549	2.5
115.96371	2.4
117.07028	8.1
119.08585	36.0
121.10142	11.3
123.08068	4.3
123.11706	2.9
131.08574	8.8
133.10141	26.0
135.11710	13.3
137.09634	3.6
137.13260	12.7
145.10077	4.2
146.91809	10.1
147.11752	2.9
152.31499	2.0
155.10674	2.0
161.13272	70.2
164.92921	4.4
167.09125	2.1
170.01271	2.5
173.11887	4.1
176.09642	2.5
179.01727	2.4
179.14322	54.4
185.10184	5.3
194.02252	3.1
197.15439	13.6
197.23758	1.8
229.12216	3.5
229.14301	8.9
229.17712	3.5
229.19568	6.8
229.23506	6.0
229.27211	72.6
230.24780	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01852	0.4
55.05502	0.3
56.05027	0.9
56.31135	0.3
56.96564	2.8
57.03420	0.4
58.06359	0.2
58.06601	5.1
59.07377	1.2
60.08165	5.9
68.05027	0.9
69.03418	0.4
69.07072	0.4
70.06593	32.8
71.33396	0.6
72.08147	3.1
74.06064	0.4
82.06577	1.1
84.04505	3.3
84.08140	6.4
85.02888	0.8
86.09708	3.7
96.08113	1.3
96.43906	0.3
97.02895	0.3
98.06020	0.9
98.97589	3.8
100.02490	0.4
100.07587	0.4
101.00887	2.2
108.94455	0.3
110.07153	1.1
114.05534	3.2
114.09130	1.3
116.07094	4.1
116.98605	1.4
117.14536	0.4
118.08632	1.0
119.01909	2.5
124.07599	3.2
126.09157	0.5
129.10258	0.8
131.01877	0.9
133.03447	1.0
135.30359	0.3
142.08633	29.7
156.07651	0.5
160.06441	0.4
170.04797	0.4
170.08121	1.1
175.04507	0.6
183.11234	1.4
184.04486	0.6
187.00986	0.6
187.02754	0.5
187.04384	0.6
188.05858	0.6
189.04269	0.7
201.12300	0.5
206.07045	1.9
212.07539	0.5
217.05542	0.4
224.08075	1.4
229.15469	100.0
230.06981	0.7
230.15758	0.4
248.08067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03950	3.3
55.01865	3.3
55.05514	14.6
56.96561	4.3
57.03429	2.8
57.07079	4.3
59.04992	1.9
60.04517	1.4
60.95850	4.1
65.03927	1.9
67.05505	21.5
68.05045	2.1
69.03433	4.2
69.07067	20.9
70.06593	51.8
71.05000	15.6
71.18283	2.5
72.08167	9.2
73.46580	1.6
77.03933	2.4
79.05492	14.1
81.03432	3.1
81.07059	25.4
83.04980	4.5
83.08624	6.7
84.04506	4.2
84.08142	6.2
85.06548	9.9
86.09706	15.4
87.04445	1.4
87.10081	1.5
88.03968	1.5
91.05483	26.9
93.07045	27.2
95.04968	24.5
95.08617	28.8
97.02924	2.2
97.06533	5.8
98.93320	2.0
98.97572	4.5
99.00835	2.4
99.04453	8.0
99.08097	63.2
102.96867	4.3
105.03394	39.5
105.07031	29.5
106.03732	4.4
107.04958	4.2
107.08588	19.9
109.06518	21.5
109.10159	34.7
110.07157	3.4
111.04488	2.3
111.08085	4.2
113.05997	4.2
115.05480	1.7
116.07107	13.9
116.98563	2.7
117.06998	2.1
117.09166	1.8
119.04922	2.3
119.08594	15.9
120.08167	1.9
120.97916	1.6
121.06522	4.3
121.10157	9.0
123.04403	8.0
123.08067	6.5
123.11707	6.6
124.05129	1.5
125.05985	1.8
125.09638	2.9
127.07609	3.3
127.11182	2.1
129.06989	2.1
129.10248	4.3
130.08665	1.8
131.08580	12.3
133.10133	94.3
134.99535	1.6
135.11700	13.1
137.05949	9.9
137.09631	8.8
140.05280	3.2
142.06851	4.1
145.06522	1.6
145.10110	2.5
147.11693	26.5
149.05913	3.3
149.09657	2.3
151.03987	1.9
151.07549	5.2
151.11189	63.9
153.00587	2.0
153.12778	4.1
155.07048	22.9
155.08316	2.4
155.10664	13.9
157.10133	4.2
159.11638	1.8
163.14838	1.8
165.12784	5.8
167.07053	100.0
169.08624	3.2
169.12337	1.8
172.97432	3.9
173.05963	2.2
175.11137	9.7
175.14864	6.4
177.00571	2.2
181.08598	2.4
190.98477	4.2
193.12251	35.1
193.15872	7.7
201.12416	2.3
208.03096	1.9
211.13322	43.9
211.16898	20.4
217.03546	6.8
223.00992	3.0
229.04947	5.7
229.08606	5.6
229.15599	12.3
229.17834	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	228.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.0
53.68263	2.5
55.01872	13.3
55.05518	10.9
56.05033	9.0
56.05845	2.3
56.96574	3.6
58.06592	1.9
60.04266	2.5
60.04540	26.5
64.85697	2.0
65.03938	2.7
67.05505	13.5
67.18003	1.8
68.05037	10.3
69.03438	3.2
69.07063	3.8
70.02956	4.7
70.06591	9.3
70.29023	7.8
72.04537	3.6
72.08161	2.9
74.06090	2.2
79.05504	66.6
79.05962	3.2
80.05019	5.8
81.03422	3.6
81.05794	2.4
81.07057	8.6
82.06585	5.1
83.04987	6.9
84.04498	2.4
84.08154	5.6
84.08952	2.0
86.06091	20.2
86.09714	10.9
87.00815	6.6
91.05489	56.1
93.07056	26.4
94.06565	5.2
95.04965	7.7
95.08617	2.8
96.04495	24.2
96.08144	4.6
97.06544	15.3
98.06050	11.1
98.97565	3.3
99.44651	2.2
100.11268	33.1
101.11591	29.0
103.05456	5.9
104.92745	2.2
105.07055	23.4
106.06561	5.7
107.04966	77.1
107.08604	4.7
108.04469	3.1
108.08171	3.2
109.06504	2.6
110.06030	16.8
110.07167	3.2
112.03972	2.7
115.05441	5.0
116.07114	4.9
117.07042	27.2
118.06559	3.2
119.04941	8.8
119.08602	27.4
120.08117	7.6
121.06503	23.0
121.10188	4.2
123.04399	3.5
124.07612	17.7
128.06253	4.0
129.07011	20.3
129.10254	6.0
131.04926	4.7
131.07344	3.2
131.08594	7.8
132.04500	2.5
132.05626	2.5
132.08072	4.1
133.06516	29.3
134.06020	17.6
134.09663	6.9
135.08092	16.6
136.07613	2.5
136.11212	16.1
137.05966	5.1
138.09137	5.5
140.03465	5.6
145.06499	34.2
146.06001	5.1
146.09650	15.3
147.08063	46.3
148.11221	3.3
149.05986	6.1
150.09172	12.9
150.84834	2.2
155.06119	2.2
156.08075	2.5
157.06493	14.0
159.06798	2.3
162.09145	31.4
163.07532	18.8
164.10716	44.9
164.11989	2.7
167.07043	6.9
174.09132	20.8
175.07515	15.3
175.33202	2.5
180.10243	5.9
181.08701	4.0
192.10205	100.0
193.08578	11.4
198.11298	2.2
200.13864	2.7
210.11266	52.1
210.16797	14.1
216.54437	2.2
228.12331	71.7
228.17899	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	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
51.83705	0.9
52.34081	0.9
53.03943	1.3
55.01869	4.2
55.05514	13.5
57.03437	1.3
57.07071	3.7
59.04995	3.2
62.72936	0.9
64.58479	0.9
65.03938	3.9
67.05505	11.8
69.03432	26.8
69.07075	6.7
69.54023	6.4
70.06573	1.6
71.05003	8.0
71.99767	1.2
72.49770	0.9
73.02927	12.4
79.05496	9.6
81.03417	1.1
81.07062	8.1
82.04209	1.2
83.04978	16.3
83.08610	6.6
85.02901	2.0
85.06544	29.6
86.09705	6.1
91.05479	9.4
93.07044	12.2
95.04974	9.7
95.08614	11.2
95.88752	0.9
97.02903	1.1
97.06538	4.9
97.10189	7.4
99.04459	1.9
99.08111	7.9
100.11256	2.4
101.00904	1.2
103.05494	1.0
105.07044	8.7
107.04956	3.0
107.08602	26.1
109.06493	6.3
109.10165	8.7
111.04453	5.2
111.08060	6.5
113.06006	4.0
113.09638	1.0
117.07024	2.1
119.01952	1.3
119.04976	1.1
119.08596	5.5
121.06519	4.7
121.10141	17.4
122.17398	1.1
122.28698	1.0
123.04429	4.4
123.08066	2.5
123.11714	3.4
125.06022	5.3
125.09635	100.0
127.07591	1.6
129.07007	1.5
131.08574	19.1
133.10124	6.7
135.04425	1.1
135.07997	6.0
135.11720	3.2
137.06006	2.7
137.09616	4.2
139.07597	5.0
139.11156	1.6
140.04691	14.9
142.02600	1.6
143.01921	4.5
144.09360	1.0
145.10115	7.4
147.08061	2.0
147.11723	1.9
149.05995	1.9
149.09627	43.5
149.13228	6.1
150.29469	1.0
151.11191	13.7
153.05464	1.9
153.09114	21.6
154.09866	2.4
155.07036	22.6
161.02988	3.3
163.11177	6.5
163.14841	9.3
165.09116	2.9
167.07059	5.5
167.10683	10.1
173.13268	5.7
177.05406	1.5
178.56982	1.3
181.04970	35.5
181.08566	1.5
181.15903	2.1
191.10657	14.6
191.12244	1.5
191.12579	1.7
191.14307	17.6
203.03926	1.1
209.08247	8.8
209.11821	17.4
209.15361	46.7
225.48120	0.9
227.09093	7.5
227.12810	8.3
227.16322	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03939	3.3
55.01887	3.7
55.05511	16.3
56.96564	2.8
57.03419	2.9
57.07069	5.1
59.04980	2.6
63.24800	1.1
65.03940	2.0
67.05502	11.6
69.03436	6.7
69.07067	13.8
69.61147	7.9
70.06576	2.5
71.04982	7.4
73.02907	3.6
75.38704	1.3
77.74402	1.2
78.04702	1.7
79.05488	14.6
81.03405	1.8
81.07053	20.1
83.01343	10.2
83.04983	14.9
83.08620	8.6
84.08150	3.0
85.02904	3.7
85.06548	8.8
86.09704	7.8
91.05473	18.0
93.07049	27.6
95.04951	6.3
95.08604	16.0
96.23727	1.1
97.02893	4.0
97.06541	10.7
97.10161	2.8
98.97588	5.5
99.04447	6.3
99.08099	36.4
100.11282	9.6
101.00893	2.5
101.06029	10.3
103.05486	6.4
105.07039	17.1
106.04179	2.0
107.04951	6.8
107.07875	2.4
107.08599	43.3
109.06522	11.2
109.10156	15.6
111.04455	2.2
111.08099	10.1
115.05524	1.2
115.07552	1.4
116.98599	2.2
119.01920	5.1
119.04964	2.5
119.08592	9.1
121.06495	15.7
121.10145	50.3
123.04404	6.0
123.08081	5.6
123.10916	1.2
123.11636	5.4
124.05229	1.9
125.02370	1.2
125.06006	3.3
125.09627	16.6
127.03899	1.2
129.07022	1.8
131.01897	2.8
131.04887	5.4
131.08543	11.1
133.06505	1.8
133.10138	30.8
134.03665	2.3
135.04433	1.2
135.08032	12.6
135.11691	10.0
136.08806	1.7
137.05997	15.0
137.09615	12.1
137.13214	3.3
139.07542	10.7
139.11189	9.4
140.04684	5.5
143.01907	2.1
145.03502	1.5
145.10143	6.6
147.04436	1.6
147.11684	5.5
149.06009	15.2
149.08418	2.6
149.09621	53.0
149.13263	14.9
151.03941	1.5
151.11191	14.5
153.09096	9.2
154.07324	2.2
155.01883	1.5
155.07039	6.8
155.10643	2.0
157.10135	1.5
158.10928	3.6
158.99715	2.1
159.04427	3.2
161.02998	4.1
163.11160	4.5
163.14807	12.7
165.05548	1.2
165.12762	1.3
167.07040	83.8
167.10724	5.0
168.07393	1.6
171.11694	1.2
173.13277	17.5
177.00740	2.1
177.05476	27.1
181.04950	8.3
181.06476	1.7
181.12257	4.1
181.15883	9.4
191.10637	3.0
191.14311	34.1
199.04320	1.3
203.03978	2.7
209.08101	11.1
209.12051	3.3
209.15350	100.0
218.07986	1.4
220.53897	1.1
221.05096	2.9
227.08801	2.6
227.12767	2.9
227.16216	2.0
227.17917	2.5
249.09720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.05492	12.5
57.07084	4.2
67.05510	24.1
69.07061	4.0
71.04987	16.7
72.96040	4.1
79.05499	23.8
81.07047	14.6
83.04977	8.7
83.08633	6.2
85.06549	100.0
87.15334	3.9
91.05478	19.5
93.07042	18.6
95.04951	6.3
95.08592	7.4
97.06537	5.9
100.11238	34.4
105.07024	17.3
107.04968	8.4
107.08588	36.3
109.06509	6.3
111.04449	10.1
117.06976	6.6
119.08546	12.9
121.06477	12.8
121.10161	19.0
125.06037	8.1
131.08583	54.5
135.11678	11.1
143.08664	4.7
145.10135	30.3
147.08083	6.7
149.09660	55.1
163.11189	21.8
165.09087	10.8
167.10686	29.6
173.09583	8.8
191.10663	55.4
209.11743	49.6
209.83026	4.0
227.10593	6.5
227.12718	38.9
227.17723	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
52.96782	1.1
53.03944	1.4
55.01877	2.4
55.05503	4.8
56.96542	2.3
57.03436	2.4
57.07073	4.0
59.34592	1.1
67.05183	1.7
67.05514	25.5
69.03436	2.1
69.07071	6.0
69.96421	2.7
69.96816	2.6
70.98112	1.3
71.05002	16.1
71.58154	0.9
79.05500	21.1
81.03424	1.5
81.07069	6.4
83.04995	7.4
85.06549	100.0
91.05482	15.2
93.07047	18.2
95.04967	4.0
95.08608	3.1
97.06528	3.1
99.04436	1.2
99.08096	4.1
100.11265	8.9
105.07028	14.9
107.04960	9.7
107.08608	23.7
109.06519	4.2
109.10169	2.3
111.04470	10.7
117.07034	4.5
119.08587	17.0
121.06519	13.4
121.10148	19.0
123.08081	2.6
125.06026	5.8
125.09663	1.4
126.12364	1.1
129.07018	4.5
130.07814	1.3
131.08577	56.1
133.10127	1.6
135.04358	1.5
135.08055	3.4
135.11707	4.9
135.25726	1.2
137.05901	1.7
137.09654	5.6
139.07521	2.6
141.05470	1.0
143.06982	1.7
145.06577	1.1
145.10130	21.8
147.08046	4.9
149.06058	2.4
149.09630	54.5
153.05481	3.8
155.07129	1.8
155.08517	1.8
163.07599	1.3
163.11192	22.0
165.09108	10.4
167.07042	3.0
167.10684	31.0
173.09613	6.3
183.10277	1.2
191.10680	58.9
197.11774	2.2
197.15382	1.1
209.11746	57.4
209.16351	2.0
227.10500	1.3
227.12767	33.7
227.14941	2.2
227.17659	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	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03938	2.7
55.01874	3.3
55.05512	6.1
57.03437	1.2
57.07075	0.8
65.03944	0.8
65.73228	0.5
67.05177	0.8
67.05508	9.9
69.03437	1.0
69.07076	3.9
69.31210	3.9
71.04982	2.3
73.02923	2.0
74.39932	0.5
77.03897	0.5
78.04718	2.7
79.05498	14.4
81.03431	1.5
81.07057	10.6
83.04967	2.5
83.08619	5.5
85.02885	0.5
85.06532	1.6
89.03909	1.1
91.05481	9.4
93.07049	20.6
94.04180	0.7
95.04963	4.0
95.08611	19.2
97.02877	1.5
97.06541	2.4
97.10149	1.2
98.20796	0.9
99.04460	2.0
100.11272	2.8
103.05467	6.1
105.04534	0.6
105.07036	3.9
106.04168	2.1
107.04948	7.8
107.08596	12.5
109.06527	1.3
109.10122	1.6
111.04437	1.1
111.08105	1.0
112.53418	0.5
117.03365	1.3
117.07002	3.6
119.04970	1.4
119.08591	4.0
121.05671	1.0
121.06516	15.8
121.10138	6.0
122.03641	1.2
123.04426	7.1
124.05203	2.2
125.05982	2.0
125.09638	0.8
130.07805	1.0
131.04933	5.0
131.08572	1.4
133.02853	0.6
133.10120	1.7
134.03621	1.8
135.04401	1.9
135.08044	1.5
135.11694	24.2
137.05981	10.1
139.07552	1.7
140.04686	3.3
142.07648	0.6
143.08542	0.8
145.02806	1.1
145.09055	1.0
145.10129	13.4
147.04408	1.2
148.05157	1.4
149.05991	15.8
149.09569	0.7
149.13162	0.7
151.03889	1.3
152.04680	2.2
155.07053	2.5
156.09288	0.5
157.10136	1.1
159.04396	3.6
163.11189	30.3
165.05519	0.9
166.06181	0.6
167.07045	100.0
171.11679	2.1
176.04742	0.9
177.05470	26.6
181.04997	0.9
181.08597	1.3
181.12239	6.3
185.13326	0.6
191.07011	1.0
191.10710	0.7
191.14294	0.6
194.05725	1.5
209.06094	0.7
209.08096	11.5
209.11671	1.8
209.15176	0.5
209.79172	0.6
227.09396	2.7
227.12776	44.0
227.17654	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03950	1.3
54.66687	1.2
55.01875	1.3
55.05513	3.9
57.03419	2.2
57.07063	5.2
67.05504	24.6
68.11242	1.2
69.03428	2.3
69.07056	4.5
69.42358	8.3
71.04997	17.8
75.42987	1.0
79.05027	1.4
79.05492	24.3
81.07061	5.8
83.04979	6.7
85.06545	100.0
91.05490	16.0
93.07047	21.4
95.05000	5.5
95.08591	1.8
96.90775	1.1
97.06527	4.3
99.08089	5.1
105.07033	16.8
107.04940	11.5
107.08595	28.5
109.06510	4.5
111.04446	11.1
117.07030	4.3
119.08585	17.7
121.06512	12.0
121.10133	17.7
123.04400	2.1
123.08101	1.6
125.06013	5.7
129.06993	4.9
130.07762	3.7
131.08569	67.8
133.10120	3.3
135.08029	3.4
135.11670	4.3
137.05962	3.5
137.09621	7.8
139.07516	2.0
141.05511	1.7
145.06424	1.6
145.10126	29.5
147.08047	4.9
148.05182	1.1
149.06032	2.3
149.09621	68.8
153.05486	4.3
155.07050	2.3
155.08617	1.1
163.07539	2.1
163.11182	27.3
165.09131	11.2
167.07043	7.2
167.10674	32.6
172.32224	1.2
173.09616	7.8
177.05437	1.5
179.10693	2.2
191.10667	61.5
197.11691	3.0
209.11732	61.0
216.79472	1.1
223.19594	1.2
227.12770	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03942	1.3
55.01868	2.1
55.05514	2.5
57.03438	1.4
57.07079	4.9
59.53883	1.1
62.11899	1.1
67.05505	23.8
69.03413	1.5
69.07064	4.9
69.79435	5.9
71.05003	14.4
73.02924	1.9
77.03883	1.3
79.05495	21.1
81.07059	4.9
83.04974	5.4
85.06547	100.0
86.09686	2.4
88.01376	1.1
91.05485	13.2
93.07053	20.3
95.04966	4.7
97.06532	3.5
99.08100	3.5
105.07046	15.9
107.04971	7.7
107.08595	23.6
109.06509	4.5
111.04453	13.7
117.07021	3.9
119.08579	14.5
121.06518	12.8
121.10151	18.1
123.04440	2.8
123.08053	1.6
125.06014	5.9
129.07007	6.6
131.08569	59.8
132.08969	1.3
133.10094	1.6
135.04404	1.3
135.08112	2.5
135.11711	5.8
137.05971	1.5
137.09619	6.9
139.07561	2.5
140.04736	1.9
140.40611	1.1
145.10115	27.0
147.08038	5.4
147.11681	2.3
149.05951	2.5
149.09622	61.6
149.91551	1.3
153.05490	3.4
155.07056	6.7
155.08546	1.4
163.07510	2.6
163.11169	22.5
165.09116	9.8
167.07076	2.4
167.10670	30.2
173.09616	5.8
179.10593	1.6
181.04935	6.3
190.24231	1.2
191.08939	2.6
191.10680	53.7
197.11760	1.3
209.11734	53.0
227.09230	1.3
227.12802	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	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03941	2.0
55.01865	3.3
55.05512	5.4
57.03443	0.8
57.07092	1.2
65.03931	1.0
66.79642	0.5
67.05505	7.1
69.03422	1.2
69.07071	3.6
69.30822	3.3
71.04981	1.8
73.02909	1.5
73.12463	0.4
77.03931	0.6
78.04699	2.5
79.05493	10.5
81.03419	1.6
81.07058	9.0
81.51087	0.4
83.04990	1.8
83.08626	4.2
84.08127	0.4
85.02914	0.8
85.06544	1.1
89.03911	0.9
91.05481	9.2
93.07044	17.6
95.04966	4.6
95.08613	16.6
95.09062	0.4
96.05766	0.5
97.02911	2.0
97.06534	2.3
97.10177	0.8
99.04459	1.8
100.11268	3.6
103.05458	6.6
103.10844	0.4
105.04476	0.6
105.07021	3.1
106.04167	2.0
107.04961	6.5
107.08589	10.3
109.02850	0.7
109.06499	1.3
109.10158	1.7
111.04434	1.6
111.08066	1.2
113.05990	0.4
117.03383	0.8
117.07021	3.0
119.04940	1.7
119.08569	3.3
120.05720	0.5
121.06514	12.6
121.09351	0.5
121.10152	5.6
122.03667	1.4
123.04428	8.0
123.08033	0.6
123.11646	0.5
124.05193	2.0
125.05994	1.8
125.09683	0.6
129.06993	0.4
130.07751	0.7
131.04945	6.0
131.08580	1.1
133.02890	0.9
133.10117	1.6
134.03630	1.8
135.04413	1.3
135.08087	0.8
135.11702	19.2
137.05980	9.1
139.07550	1.2
140.04692	2.8
143.08594	0.9
145.02818	1.0
145.06528	0.4
145.10138	12.7
147.04414	1.0
148.05212	2.2
148.08798	0.5
149.05984	14.1
149.09573	1.0
151.03928	1.6
151.11215	0.5
152.04695	1.8
153.05507	0.6
153.12852	0.7
155.07039	2.9
155.08311	0.6
157.10161	1.1
159.04436	3.2
163.03946	1.0
163.11183	27.0
165.05460	0.9
167.07043	100.0
168.07269	0.5
171.11682	1.6
176.04778	0.6
177.05475	28.8
179.07179	0.5
180.07904	0.4
181.04971	1.2
181.08609	1.5
181.12230	6.4
185.33795	0.4
191.07056	1.4
191.10608	0.8
191.14293	0.5
194.05777	1.3
195.06433	0.6
209.06078	0.6
209.08084	9.9
209.09961	0.6
209.11490	0.9
212.04457	0.4
227.09471	2.6
227.12776	40.8
227.17822	4.3
230.16640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.02372	1.8
53.03934	3.1
55.01862	4.1
55.05505	10.8
56.96555	3.2
57.03425	2.8
57.07055	4.1
59.05010	1.7
61.57118	1.2
65.03918	4.0
67.05507	20.3
69.03432	18.7
69.06788	1.3
69.07073	12.9
69.61037	1.3
70.06596	2.9
71.04989	9.8
71.51865	2.4
77.03910	1.6
79.05495	16.8
81.03410	1.9
81.07059	26.2
83.04974	8.2
83.08636	1.8
84.04480	1.8
84.08157	9.4
85.02920	13.2
85.06539	7.7
86.09692	5.3
89.65249	1.2
91.05480	31.8
91.59911	1.3
93.07046	39.0
94.73238	1.3
95.04973	32.7
95.08626	12.9
97.02866	2.0
97.06537	12.2
98.97552	6.7
99.04473	12.3
99.08057	2.1
99.65978	1.5
101.66422	1.5
103.05450	3.8
105.03371	5.0
105.04489	2.0
105.07037	47.0
107.04983	8.9
107.08596	72.8
108.05787	1.4
109.06522	24.3
109.10163	20.0
111.04420	2.3
111.08064	4.0
113.05981	2.3
115.05346	1.5
116.98636	2.3
117.07038	5.6
119.01914	2.4
119.04950	9.1
119.08589	42.2
120.08105	7.4
121.06516	22.3
121.10147	34.8
121.10983	1.0
123.04433	34.2
123.08073	15.9
123.11713	13.2
125.06021	6.5
125.09620	2.2
127.03877	1.5
127.07498	2.0
128.06181	1.6
129.06966	2.6
129.10248	5.7
131.08560	12.8
133.06488	3.3
133.10133	11.3
135.04416	2.0
135.08032	7.3
135.11656	5.8
137.05992	9.1
137.09621	61.9
139.07544	2.0
139.11142	3.2
140.04648	3.2
141.09081	1.7
143.08568	7.8
145.10109	8.7
147.04416	5.6
147.08055	11.7
147.11693	39.7
149.06024	2.0
149.09621	42.9
149.13202	8.0
150.06731	2.2
151.03914	2.2
151.07549	20.3
153.05440	4.6
155.07059	8.4
155.10632	1.7
156.09325	3.9
159.11723	10.7
160.08896	1.4
161.03108	1.9
161.06050	1.7
161.09650	11.8
161.13258	32.2
162.06668	1.8
163.11179	9.5
164.54381	2.1
165.05540	3.2
165.09113	60.3
165.12743	7.6
167.07079	10.0
167.10683	36.4
168.07828	2.0
169.08537	2.2
171.11705	12.2
175.03908	5.1
176.54337	2.2
177.00722	2.9
177.05437	2.3
177.12741	19.5
179.07101	2.3
179.10645	6.3
179.14279	3.9
179.51193	1.6
180.04140	3.8
181.06462	2.2
181.08588	4.6
181.12202	5.7
183.06522	12.7
183.10063	1.5
183.13707	1.7
184.05594	1.9
185.54848	4.5
189.09055	2.8
189.12746	34.6
192.07773	1.8
193.04782	2.4
193.06277	1.9
193.08559	4.1
195.10191	2.8
195.13734	1.3
197.05989	1.6
202.06535	3.8
202.45354	1.4
207.06561	3.2
207.10419	11.1
207.13808	100.0
210.08824	1.9
225.05646	2.4
225.07509	5.7
225.09177	5.1
225.11143	14.5
225.14763	13.5
241.88356	1.4
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	Apiosporic acid
Peak:m/z	Relative Intensity
51.02354	1.2
51.74100	1.4
52.65503	1.7
53.03948	4.7
55.01864	3.5
55.05520	7.5
56.96565	4.5
57.03441	2.4
57.07061	1.8
57.55713	1.4
63.04197	1.2
65.03940	2.3
67.05188	1.5
67.05511	19.2
69.03435	16.6
69.07071	10.0
69.61409	8.3
70.06577	2.6
71.05007	9.4
71.08629	1.6
72.08153	1.3
79.05506	18.0
81.03426	3.2
81.07061	27.6
83.04978	8.2
83.08637	1.8
84.08143	6.5
85.02912	14.0
85.06542	5.1
86.09719	4.2
87.04443	1.9
91.05482	24.8
93.07044	31.4
95.04971	30.5
95.08614	14.4
97.02891	2.2
97.06547	12.5
98.97596	6.1
99.04447	7.1
99.08097	3.2
103.05500	2.7
105.03406	5.3
105.07038	46.3
107.04979	7.0
107.08598	67.4
109.06528	19.0
109.10170	22.8
111.04423	3.2
111.08096	3.8
115.05463	2.1
117.03575	1.4
117.07066	3.9
119.04963	7.6
119.06065	1.6
119.08593	38.9
120.08128	5.8
121.06509	21.7
121.10153	28.6
123.04442	34.1
123.08076	14.0
123.11701	12.7
125.05997	6.3
125.09638	1.7
127.07646	1.8
128.06252	1.6
129.06993	3.3
129.10175	2.6
130.07774	1.8
131.08578	11.2
133.06500	3.5
133.10129	12.0
135.08051	6.1
135.11691	8.6
137.06006	6.7
137.09622	50.3
140.04713	3.1
141.09155	1.7
142.07822	1.8
143.08577	8.0
145.10152	9.5
147.04424	3.1
147.08070	15.2
147.11708	35.9
149.06006	2.1
149.09637	33.1
149.13269	7.1
151.07544	14.0
151.11234	3.8
153.05482	3.0
155.07051	6.7
155.10703	2.6
156.09334	4.1
159.07983	1.6
159.11710	10.8
161.03020	1.4
161.09644	9.0
161.13266	30.3
163.03929	1.6
163.11197	6.9
165.05533	3.4
165.09126	58.2
165.12759	6.8
167.07013	7.5
167.10681	32.1
168.07848	2.5
171.11703	13.6
172.05484	1.9
175.03911	4.0
177.12746	17.8
179.10690	5.0
179.14355	2.5
180.04259	2.0
181.08612	4.3
181.12262	4.2
182.07289	1.5
183.06570	13.5
185.54907	2.4
189.09195	2.1
189.12752	31.8
192.07910	2.2
193.04895	2.5
193.08710	3.4
202.06528	2.2
207.06558	4.0
207.10161	9.4
207.13818	100.0
210.08899	1.7
225.07393	7.0
225.09349	3.2
225.11116	7.4
225.14890	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29773	14.6
69.30180	5.2
82.99866	7.3
89.52138	2.3
101.00891	62.2
119.01929	100.0
123.97394	2.7
124.02473	12.2
137.02969	14.4
142.03519	65.8
158.99980	5.4
160.04575	11.1
161.02959	38.1
165.05161	2.3
177.00977	20.4
179.04033	36.8
182.99911	2.3
184.04588	10.3
201.00966	3.1
202.05635	3.3
219.02048	19.1
243.02025	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	225.1487
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
50.99112	0.4
53.03922	0.7
55.01863	0.9
55.05505	2.4
57.03444	0.5
57.07064	0.9
59.04988	0.7
65.03951	0.6
67.05186	0.5
67.05515	6.0
69.03440	2.7
69.07076	4.2
71.04997	13.6
77.03902	0.5
79.05499	5.6
79.84989	0.5
80.63546	0.5
81.07072	6.6
83.04979	1.8
83.08619	1.1
84.08162	0.6
85.02885	1.1
85.06531	0.6
87.04459	0.9
87.96122	0.5
91.05482	9.4
93.07047	13.4
95.04955	1.9
95.08618	5.0
97.06553	2.6
99.04465	1.6
99.08099	0.7
101.95032	1.0
105.03406	0.7
105.07034	13.3
106.07803	1.0
107.04977	1.9
107.08601	7.4
109.06531	5.2
109.10164	15.6
111.04426	0.7
111.08081	2.7
113.09641	0.7
117.06991	1.3
119.04937	4.1
119.07718	0.7
119.08578	12.7
119.20850	0.6
121.06513	2.0
121.10152	36.0
123.04443	1.2
123.08086	5.6
123.11713	1.9
129.07007	0.9
131.08598	3.2
133.06525	1.3
133.07547	0.7
133.10144	5.2
135.04439	0.6
135.08043	1.7
135.11700	3.1
137.05980	1.6
137.09624	27.0
139.07617	0.8
139.11183	2.2
143.08560	1.4
145.10127	2.2
147.04424	2.3
147.08058	4.0
147.11696	10.3
149.09627	100.0
151.03949	0.8
151.07529	1.2
151.11205	1.3
156.09410	3.1
159.08110	2.3
159.36887	0.6
161.09666	2.4
161.13254	9.6
163.03822	0.7
163.11142	1.1
165.05508	0.7
165.09111	1.4
165.12746	4.3
167.07080	1.3
167.10651	1.1
171.11711	5.7
174.10374	3.7
175.03922	3.5
177.12607	0.9
179.14282	0.9
180.04158	1.6
183.13770	0.6
189.12759	26.7
192.04222	0.9
193.04979	0.9
207.06506	4.5
207.10283	0.6
207.13821	10.9
225.07576	1.8
225.14810	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	222.149
Annotation	exalamide
Peak:m/z	Relative Intensity
56.96579	0.6
57.07071	2.3
63.26366	0.4
69.07071	1.6
70.06593	2.0
70.64923	1.3
75.61319	0.4
77.09560	0.4
84.08137	0.6
86.09716	0.7
91.05486	1.0
98.97590	1.5
103.05476	9.0
105.07063	0.6
112.45596	0.5
115.05485	0.7
116.07098	0.8
117.07027	5.4
121.06532	1.4
123.04408	2.3
129.10222	0.5
130.06548	0.7
131.04936	30.6
131.08595	0.8
132.05725	1.8
137.05997	4.8
140.00137	0.5
144.05717	0.9
145.06499	14.6
149.05989	100.0
159.08099	1.0
159.11725	1.1
161.06000	1.2
162.05547	1.1
162.06793	3.0
163.07547	20.6
166.08696	2.3
170.98338	0.5
172.08826	0.6
176.07048	0.6
176.08392	0.8
187.11189	1.4
205.12248	57.6
206.12573	0.5
222.14902	63.7
223.15332	0.8
236.10591	0.5
236.39983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0603
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.09821	0.3
55.05500	0.5
56.58732	0.3
56.96556	0.4
59.68291	0.3
60.33806	0.3
65.03924	0.4
67.05492	0.9
69.03410	0.4
69.07066	0.4
69.91706	1.2
69.92061	0.5
70.06580	0.9
78.04698	2.0
79.05504	1.7
81.03403	0.3
81.07053	1.3
83.04984	0.6
84.08135	0.8
85.06520	0.4
89.03947	0.4
91.05475	1.0
93.07052	1.1
95.04962	0.8
95.08587	0.2
97.06612	0.3
98.97580	0.7
99.04496	0.3
105.03387	0.7
105.07024	0.7
106.04185	1.9
107.04964	11.6
107.08568	1.3
109.06512	0.6
109.10174	0.6
111.08063	0.5
117.03410	0.5
117.07016	0.3
118.04117	0.3
119.04924	0.5
119.08591	0.5
120.08145	0.4
121.02847	0.7
121.06524	0.7
121.10140	0.7
131.04926	0.4
133.02876	0.6
134.03638	3.2
135.04420	4.2
135.08128	0.5
135.11656	0.4
137.05977	0.4
139.07565	0.5
145.02876	0.5
145.03963	1.1
145.10126	0.8
149.02376	1.7
149.09645	0.5
150.03156	0.5
151.03966	0.3
158.99631	0.3
162.03131	16.6
163.03922	7.1
163.11198	1.2
165.01810	0.5
165.09138	0.4
167.07042	1.3
173.06169	0.3
177.12814	0.4
178.05832	0.4
179.03401	4.7
179.06958	0.5
180.04169	1.0
181.12347	0.3
190.02623	18.3
191.03296	0.6
193.01323	1.7
194.02080	1.4
195.06543	0.9
205.01236	0.5
205.12259	0.8
207.02904	6.4
208.03691	12.3
223.06020	100.0
223.13362	1.1
224.06400	0.9
225.04396	0.3
228.10808	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05514	18.2
57.03421	2.4
57.07059	4.7
62.52019	1.4
67.05511	23.6
69.03409	2.0
69.07072	21.1
71.04977	3.5
71.08610	2.2
71.31078	2.3
72.38197	1.4
75.47794	1.7
75.82655	1.4
79.05500	19.7
81.07063	70.6
83.04973	4.1
83.08627	10.9
85.06528	3.8
91.05487	18.9
93.07048	37.4
95.04983	3.0
95.08613	77.2
97.06526	6.2
97.10168	4.8
103.05463	1.5
105.07033	66.8
107.04950	2.8
107.07884	3.0
107.08598	59.9
109.06511	4.1
109.10162	48.0
110.56680	1.6
111.08081	9.1
111.11709	4.6
115.05459	1.8
117.07048	2.1
119.08585	43.5
121.10149	31.9
123.08086	4.0
123.11715	16.2
125.09625	6.3
129.07031	2.4
131.08557	1.9
133.06453	5.0
133.10138	34.8
135.11723	16.1
137.06067	2.1
137.09639	1.7
137.13249	4.5
139.11182	2.0
141.05490	1.8
145.10132	2.7
147.08017	2.3
147.11691	47.6
149.13248	10.1
151.07544	2.4
151.11174	5.1
159.11711	2.2
161.05934	4.0
161.09656	2.0
161.11993	3.0
161.13271	47.5
163.11186	2.0
163.13463	1.8
163.14830	36.4
165.12761	6.2
175.07500	1.6
175.11215	3.5
175.14819	16.7
177.12646	2.2
177.16364	5.3
185.13312	2.2
193.08615	3.2
193.15945	2.8
203.10677	2.2
203.14355	6.6
203.17975	100.0
207.02866	1.7
221.04359	2.3
221.08012	3.3
221.11768	6.1
221.15556	14.4
221.19009	54.7
233.53459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
62.28816	0.2
67.53386	0.2
69.93710	0.8
69.94100	0.6
75.46808	0.2
82.51753	0.2
82.99848	0.5
87.11988	0.2
101.00855	1.2
102.94348	0.4
109.80878	0.3
119.01922	1.4
120.95362	1.6
138.96419	20.6
139.96495	0.2
142.03502	0.5
148.95993	0.5
156.97485	100.0
157.97591	0.9
158.97913	0.6
161.98036	0.5
174.98546	46.4
175.98605	0.4
179.49852	0.3
179.99078	3.3
180.97400	1.8
189.14153	0.3
198.00121	1.3
198.98540	32.0
199.98653	0.3
205.90598	0.3
216.99600	51.3
217.99806	0.5
222.00146	0.6
240.01186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19958	0.2
58.06605	0.5
60.07893	0.2
60.08169	3.6
65.85393	0.2
70.84460	0.4
70.84798	0.4
90.37875	0.2
102.68962	0.2
103.55261	0.2
104.10749	100.0
107.20094	0.2
110.89918	0.2
125.37193	0.2
148.37712	0.2
161.13832	0.2
165.23486	0.2
183.94115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03952	1.6
55.01890	1.3
55.05514	18.3
56.96552	4.9
57.03439	3.3
57.07077	6.7
59.04995	2.4
65.03930	1.7
67.05181	2.0
67.05510	25.8
69.03423	2.5
69.07069	24.6
69.25642	5.5
69.26067	5.4
71.04986	5.2
71.08625	3.3
79.05493	19.7
81.07059	83.6
83.04984	4.2
83.08612	11.7
84.08078	1.3
85.02922	1.6
85.06532	4.5
91.05478	20.8
93.07048	41.0
93.26068	1.2
95.04980	5.2
95.08611	69.1
97.06519	6.4
97.10172	7.3
98.97599	3.7
99.08082	1.9
103.05496	2.4
104.10703	1.6
105.07032	58.8
107.04945	2.5
107.08597	64.1
109.06536	6.9
109.10158	56.3
109.27404	1.3
111.08105	6.7
111.11704	1.7
115.05503	2.3
116.98655	3.0
117.07007	2.7
119.08589	53.3
121.06519	3.8
121.09336	2.3
121.10155	32.8
122.26414	1.4
123.08057	6.7
123.11713	21.1
125.09633	5.7
131.04916	3.4
131.08591	2.4
131.48647	1.2
132.05713	1.9
133.06509	11.8
133.10135	32.3
135.08044	3.3
135.11694	26.1
136.15672	1.3
137.05968	2.7
137.09644	2.2
137.13287	3.7
143.04930	3.5
145.10080	2.7
147.04404	1.5
147.08095	2.0
147.11694	49.4
149.13274	8.8
151.03909	2.2
151.11189	28.5
153.12750	1.5
157.10078	1.8
159.11682	4.2
160.05200	1.8
161.05991	12.5
161.09669	3.2
161.13260	39.7
163.07561	1.8
163.14827	56.2
165.09113	1.8
165.12779	6.9
165.16414	1.3
175.07559	6.3
175.11119	1.4
175.14835	14.0
177.05438	5.1
177.16399	3.9
179.14296	1.5
185.13176	2.4
189.05515	5.3
191.07068	1.6
191.08672	1.5
193.08549	6.3
193.15884	2.3
203.06995	4.1
203.10652	3.2
203.14278	4.5
203.17964	100.0
206.05727	6.5
206.16179	1.5
221.04404	5.8
221.08047	30.2
221.11681	4.2
221.15491	13.9
221.19005	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05507	0.6
56.05029	0.7
56.96570	1.6
57.03430	0.6
57.07063	0.3
58.06601	0.7
60.04526	2.4
60.05645	0.3
60.08168	3.0
61.02925	0.5
67.05512	0.4
67.94250	0.3
69.03433	1.3
69.07057	0.4
70.06601	2.0
71.04989	0.2
71.39420	0.4
72.08158	1.3
73.02927	2.2
74.02433	0.3
74.06094	1.7
75.02679	0.5
75.70007	0.2
79.05497	0.3
80.47919	0.2
81.03399	0.5
81.07077	0.6
82.76923	0.2
84.04502	1.4
84.08146	2.1
84.96007	0.3
85.02899	1.6
86.00233	0.3
86.09711	2.4
87.10049	0.3
88.03977	0.7
88.10368	0.3
90.05563	0.9
91.05479	1.1
91.05974	0.4
92.07148	0.3
94.06563	0.7
94.94890	0.3
95.06123	0.3
95.08597	0.3
97.02915	1.2
97.66295	0.2
98.97587	3.9
100.02513	0.3
101.00842	0.8
103.05493	0.3
104.10749	100.0
105.07014	0.6
105.11071	0.2
107.08641	0.3
107.93376	0.2
109.02882	0.4
109.10186	0.5
110.07173	2.2
110.97585	0.5
111.08103	0.5
111.65079	0.2
112.99171	0.3
115.05463	0.6
116.98630	0.8
118.92101	0.4
119.01897	1.1
119.04937	0.4
120.06550	0.4
120.08014	0.3
121.06510	0.4
123.53682	0.2
127.03944	0.3
128.98576	0.4
129.10228	0.4
130.06534	11.6
131.01888	0.5
131.04892	0.3
132.04457	6.0
132.10196	0.5
133.02924	0.3
133.10359	0.2
134.06052	0.3
134.10818	0.3
136.06203	2.7
136.07574	1.5
136.93111	0.6
137.05984	1.4
137.09657	0.4
143.00087	0.3
143.01849	0.4
146.02338	0.6
148.07585	0.5
149.01289	0.6
152.02310	0.3
156.07719	0.5
156.97490	0.9
157.06357	0.5
157.07629	7.5
158.06020	12.3
158.99684	1.5
161.02966	1.2
161.05974	1.4
163.07608	0.3
168.95749	0.6
170.03453	0.3
170.99712	0.4
172.95276	0.4
173.03046	0.3
174.55228	0.3
174.98531	0.5
175.02794	0.4
175.04536	0.5
175.08694	15.0
175.13379	0.4
175.14819	0.3
176.07054	0.5
176.10652	0.3
177.00734	0.6
179.03896	0.3
182.03384	1.2
186.05716	0.3
186.96806	1.4
191.03966	1.9
191.54082	0.4
193.16074	0.3
195.08820	0.3
198.98558	0.3
200.04442	1.1
201.00671	0.5
203.03990	0.3
203.08276	5.2
203.10249	0.5
204.06674	0.8
204.97842	0.4
216.99623	0.4
219.01787	0.7
221.04700	0.5
221.09396	2.8
221.12363	0.7
221.15500	0.3
221.18575	0.4
222.11389	0.3
231.01645	0.2
237.02744	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01879	1.4
55.05516	2.4
56.01407	0.8
57.07083	5.7
59.04997	4.1
61.02146	0.5
67.05508	4.1
69.07071	5.4
70.02966	5.6
70.95229	1.3
72.04523	14.2
73.02917	3.5
74.02473	1.1
81.07057	0.8
84.08118	0.7
85.06558	9.6
86.09714	1.7
87.08120	1.9
90.05563	100.0
95.04968	5.7
96.08128	1.8
98.02423	17.2
98.97594	0.7
100.03987	2.5
103.07592	7.8
112.37948	0.6
113.06027	3.6
116.03462	11.8
116.97925	0.6
124.07601	14.4
131.07077	1.0
136.07568	0.8
140.06914	0.6
142.08629	7.2
156.10239	0.8
160.09702	2.5
162.88525	0.6
163.24966	0.7
166.08644	1.9
174.11246	2.3
184.09703	21.4
194.96269	0.7
200.83841	0.6
202.10767	31.0
220.11813	46.7
234.76109	0.6
236.97342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05502	0.6
56.96553	1.2
57.03436	0.5
57.07047	0.6
59.05660	0.4
60.04493	0.5
67.05518	0.4
69.07076	0.7
70.06583	1.3
71.47240	0.6
71.47585	1.0
72.08142	1.3
73.02866	0.4
81.07044	1.7
82.02932	1.9
84.04509	0.6
86.09712	0.6
91.05498	2.3
94.06577	3.1
97.02876	0.5
98.97578	1.7
103.05478	0.5
104.10741	0.7
104.42437	0.4
105.07067	0.6
109.10241	0.6
110.07156	0.8
115.05444	0.7
119.04914	0.5
120.08086	1.5
121.06581	0.6
121.19452	0.4
130.06538	48.1
132.04462	34.7
133.02866	1.1
133.10150	0.5
134.06067	0.8
137.05960	0.7
137.09715	0.4
145.11491	0.4
147.09245	0.6
148.07599	1.1
151.03775	0.4
152.98392	0.4
157.07628	20.8
158.06029	64.5
159.06422	0.6
161.06010	2.6
163.03899	0.5
164.32504	0.5
175.08685	100.0
176.07097	1.9
176.08978	0.7
186.05479	2.3
203.06908	1.1
203.08401	0.7
204.06595	3.9
204.10223	1.5
221.09248	33.3
221.12761	1.0
229.03908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.05506	0.6
56.05032	1.0
56.96558	0.7
60.04536	0.9
61.02929	0.7
63.11227	0.6
69.03435	1.0
70.06590	1.7
70.26331	2.2
73.02915	0.6
74.02417	0.8
80.02380	0.6
82.02931	2.2
84.04500	1.0
84.08161	1.1
86.09700	1.2
94.06566	3.0
97.02881	1.0
98.21516	0.7
98.97581	1.7
101.00867	1.2
103.05474	0.6
103.96494	0.6
104.10746	15.8
104.77856	0.6
105.03133	0.6
110.07180	3.0
119.01907	1.8
120.08129	1.4
130.06531	76.7
132.04457	38.1
136.07591	1.3
137.05980	1.5
147.04433	0.8
147.09171	0.9
148.07550	3.1
156.97493	1.6
157.07616	53.3
158.06017	72.8
159.06389	0.9
159.09193	0.8
161.02975	1.1
161.05989	1.3
174.98660	0.7
175.08676	100.0
176.07071	1.7
179.04042	1.3
185.07123	2.6
186.05467	2.1
187.66380	0.6
191.79181	0.6
203.08167	39.3
204.06590	5.0
216.99588	1.3
221.09224	18.8
239.03995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03940	2.6
55.01865	1.5
55.05513	13.8
56.96559	1.2
57.03433	0.9
57.07077	2.0
61.98615	1.0
65.03932	1.4
65.89697	0.9
67.05508	18.4
69.03416	3.3
69.07076	12.0
69.28649	8.4
71.04996	11.3
71.08587	0.9
77.31922	0.8
79.05495	22.7
81.07059	100.0
82.07353	1.1
83.05006	1.8
83.08605	4.4
85.06546	4.8
91.05482	16.2
93.07048	31.8
95.04987	4.4
95.08607	30.2
97.06548	6.3
97.10159	2.3
98.97577	1.5
99.08057	0.9
103.05495	1.0
105.07036	36.4
107.08606	33.8
109.06531	8.9
109.10161	24.7
111.08097	6.1
115.05450	2.3
116.06261	1.2
117.07027	8.0
119.08590	34.6
120.08102	2.2
121.06497	2.6
121.10153	19.1
123.08068	12.0
123.11710	6.7
125.09624	4.4
127.07558	2.2
129.06992	2.9
130.07805	1.9
131.08574	15.8
133.10135	15.2
135.08044	5.3
135.11693	11.0
137.09634	9.4
137.13237	1.0
143.08583	1.1
144.05647	1.3
144.09306	2.3
145.10138	30.2
146.10869	1.6
147.11688	8.1
149.09648	7.0
149.13261	7.9
151.11153	6.4
158.07246	1.3
159.08034	2.0
159.11696	33.5
161.09622	1.1
161.12007	1.6
161.13274	22.0
163.11197	18.7
165.12756	2.3
171.11708	1.7
172.94167	1.1
173.13278	10.7
174.06813	1.8
175.14851	9.2
177.12709	3.0
177.16376	2.2
182.28542	1.0
189.09146	3.6
191.07033	1.2
191.14342	1.1
191.17906	3.1
201.09035	2.1
201.16393	39.3
203.14323	4.3
207.10585	1.4
219.08116	2.2
219.10196	5.3
219.13916	2.8
219.17445	78.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
52.80503	1.0
52.94040	0.7
53.03931	1.9
54.49936	0.8
55.01862	1.0
55.05319	0.7
55.05512	8.2
57.03424	2.5
57.07066	0.9
59.04982	1.1
65.03941	1.1
67.05505	21.8
69.03428	1.9
69.06726	1.5
69.07070	13.8
69.66266	5.4
71.04997	15.2
79.05496	17.8
81.07060	100.0
81.17761	1.0
83.04976	5.2
83.08615	3.3
85.06532	1.8
91.05487	11.8
93.07047	49.4
95.04980	9.4
95.08609	53.3
96.57040	0.8
97.06533	48.7
97.10181	2.1
105.06317	1.1
105.07035	36.8
107.08596	41.8
109.06536	9.1
109.10162	23.1
111.08086	6.0
111.11715	0.9
115.05434	1.5
117.07027	5.6
119.08586	32.0
121.06509	2.7
121.10152	29.7
123.08085	9.3
123.10831	1.8
123.11710	32.2
125.09635	10.1
129.06989	2.9
130.07765	2.6
131.08572	18.9
133.10147	11.9
135.08035	1.8
135.11711	11.0
137.09576	2.1
137.13257	3.6
139.11162	1.5
141.06969	1.7
143.08571	2.3
144.09351	1.9
145.10127	32.1
147.11679	8.0
149.09595	2.7
149.13289	11.4
151.11163	3.8
157.10159	2.2
158.07246	1.2
158.10965	1.0
159.08046	1.4
159.11703	29.8
159.13043	1.4
161.13260	24.5
163.11186	5.6
163.14803	1.9
173.13268	12.1
174.06755	3.4
175.07333	0.9
175.14815	7.3
177.12744	1.9
177.16388	1.1
186.06680	1.0
189.09125	3.9
191.17981	5.5
201.09103	1.5
201.16380	47.6
203.14330	2.3
219.06497	1.4
219.08295	1.5
219.10139	6.4
219.13867	3.3
219.17445	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03919	0.9
55.01854	2.7
55.05511	11.1
56.96548	3.1
57.03424	1.3
57.07053	2.2
59.31203	0.9
65.03938	1.6
67.05506	18.7
69.03410	2.7
69.07070	11.5
70.72836	2.7
71.04995	11.5
72.08160	2.7
79.05494	18.9
81.07059	86.2
83.04984	4.6
83.08607	4.2
84.08144	1.4
85.01167	0.9
85.06551	2.2
86.09679	1.0
91.05480	16.8
93.07046	37.7
94.29668	1.0
95.04974	8.7
95.08611	41.8
96.97668	0.9
97.06538	28.6
97.10170	2.8
98.97587	6.1
100.11259	1.3
100.83361	0.9
103.05451	3.5
105.04608	1.0
105.07035	39.0
107.04926	1.6
107.08598	36.0
109.06512	8.3
109.10163	23.4
111.04462	2.2
111.08111	5.8
111.11660	1.3
115.05457	4.7
116.06231	1.4
116.98634	1.3
117.07019	7.1
118.06523	0.9
119.08589	35.8
120.08110	2.2
121.06514	5.0
121.10151	28.6
123.08070	8.5
123.11716	22.3
125.09660	7.8
128.06213	2.7
129.07018	14.7
130.07750	2.5
131.04910	3.1
131.08582	27.3
131.85019	0.9
133.10146	15.1
135.08109	4.7
135.11711	11.9
136.92181	1.5
137.06000	1.4
137.09593	2.9
137.13243	2.7
139.11169	1.4
141.06998	12.2
141.11493	1.9
143.08588	1.5
144.05695	2.0
144.09319	4.3
145.06419	1.7
145.10129	34.4
146.07187	1.9
147.11688	9.1
149.05995	2.5
149.09616	4.6
149.13254	8.6
151.11150	3.3
154.12187	1.1
154.93173	1.7
157.06462	6.2
157.10107	2.2
158.07294	6.1
158.10913	1.3
159.04382	1.6
159.08066	9.6
159.11699	50.3
160.05165	1.2
160.12067	1.1
161.09602	3.1
161.13263	33.7
163.07515	2.3
163.11234	6.2
163.14787	2.6
164.08365	2.4
169.06476	5.4
170.07278	2.2
172.94272	2.9
173.05901	1.8
173.09654	1.7
173.11797	1.0
173.13275	14.6
174.06766	19.6
175.07439	4.6
175.14818	5.9
177.00696	0.9
177.09128	8.9
177.12703	3.0
177.16376	1.5
182.15387	1.4
186.06760	5.6
189.09117	32.2
190.95239	1.3
191.07013	1.4
191.10675	2.5
191.17947	5.9
195.95895	1.2
201.05499	1.1
201.09077	13.7
201.16396	45.8
203.14313	7.1
210.09564	1.0
210.14833	1.1
219.06552	1.9
219.08215	1.9
219.10150	34.5
219.14020	14.5
219.17435	100.0
220.16866	5.4
231.50291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
55.51478	0.4
60.04527	2.3
60.05653	16.4
61.04052	0.8
70.06596	100.0
70.68718	0.9
71.04996	1.5
72.08159	20.0
74.06072	1.1
83.04968	0.5
83.41798	0.4
84.08141	0.8
88.07674	0.5
88.65072	0.5
95.06100	0.6
97.07652	0.6
98.06077	0.7
101.00895	1.5
102.06671	24.7
112.08737	7.9
113.07159	2.1
114.10323	0.7
115.08695	1.8
116.07101	27.2
118.08660	0.8
119.01920	2.4
127.02431	0.8
130.08618	0.4
130.09792	2.3
141.06601	0.9
143.01926	0.6
145.03462	3.0
154.09769	4.4
155.07036	1.2
158.09259	31.4
159.07619	0.9
163.04541	0.7
172.10808	2.9
173.02904	0.5
173.08133	0.9
175.11928	4.0
189.02472	0.6
191.04041	0.8
199.11980	1.0
200.10330	6.6
217.12976	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	5.6
58.06582	0.7
61.74752	0.3
62.06076	0.4
65.10405	0.3
69.41954	0.3
70.06213	0.6
70.06596	10.5
70.68709	0.8
71.08634	2.9
77.05398	0.3
79.84020	0.3
88.07639	14.3
94.98314	0.3
95.23096	0.3
99.28583	0.3
102.09194	5.0
106.08672	7.9
112.34444	0.3
156.17455	0.4
156.79703	0.3
174.18542	1.0
200.20096	6.9
206.83105	0.3
218.21161	100.0
219.21576	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06593	16.9
59.07370	21.6
59.38708	14.6
70.51352	46.6
70.51706	30.2
74.09724	25.4
98.97517	22.3
118.08630	55.4
145.73590	15.2
146.94377	15.5
154.13219	17.9
172.51256	18.4
172.65823	19.4
177.58255	15.9
196.04028	100.0
200.07729	22.6
201.07851	44.8
219.02725	59.9
219.08936	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05497	1.6
56.96558	1.0
57.03430	0.7
67.05499	1.9
69.07060	0.7
70.90945	1.3
79.05482	2.2
81.07039	5.0
83.04981	0.7
84.47416	0.7
91.05486	7.9
93.07028	2.6
95.08601	2.1
98.97585	1.2
103.05457	2.2
105.07068	3.8
107.08608	1.4
109.06474	0.9
109.10133	1.0
115.05457	6.7
116.06266	1.3
117.07027	2.9
119.08578	2.8
121.10143	2.0
123.06911	0.6
123.08035	0.8
128.06229	6.9
129.07008	31.0
130.07747	2.1
131.04922	7.2
131.08568	26.0
133.10075	1.2
135.08026	0.8
135.11678	1.2
137.05968	2.8
141.06992	27.7
143.04913	1.1
143.08548	2.5
144.05725	4.7
145.06508	4.2
145.10118	1.9
146.07266	3.5
147.04321	0.8
147.11710	0.7
148.05145	1.5
149.13428	0.7
157.06480	16.0
158.05997	0.7
158.07269	14.8
159.04372	2.5
159.08060	19.2
159.11674	4.9
160.05199	4.9
161.05710	2.5
161.09624	2.3
161.13234	1.0
162.06821	1.0
163.07553	2.3
163.11200	1.2
169.06450	9.9
169.07651	1.1
170.07239	4.7
171.04449	0.8
172.94211	0.8
173.05992	4.2
173.09669	1.2
173.13220	1.4
174.06766	56.2
175.07538	9.6
176.07916	4.8
177.09085	1.0
185.05940	0.9
186.06757	13.6
187.07504	1.7
188.08316	2.0
189.09103	73.4
190.09476	0.9
191.07013	1.5
191.10657	7.1
201.05388	1.1
201.09109	30.7
201.10980	1.5
201.16344	2.1
203.14326	1.7
219.10159	100.0
219.13702	2.4
219.17398	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	219.1342
Annotation	Ser Leu
Peak:m/z	Relative Intensity
56.96575	1.1
60.04530	100.0
69.07073	1.3
70.02946	0.9
70.06596	0.9
70.67265	1.1
72.08163	1.5
74.06074	0.9
84.08155	0.8
86.09711	70.6
87.05598	3.4
98.97593	4.2
116.98629	1.2
120.08121	1.1
128.10736	3.0
129.10252	0.7
132.10213	58.5
136.93103	1.3
137.02341	1.4
137.57941	0.5
139.53076	0.5
154.78244	0.5
154.94159	1.4
155.01866	0.5
158.99577	0.6
172.09702	1.1
172.95245	0.9
173.12871	32.6
179.03380	0.5
190.08536	0.7
201.12320	6.8
203.14319	0.5
219.13420	16.0
219.17455	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03928	3.7
55.01862	1.8
55.05511	14.9
56.96567	1.7
57.07073	2.5
63.21704	1.0
65.03941	2.1
65.94553	1.1
67.05195	1.1
67.05512	17.5
69.03419	3.4
69.07074	12.6
69.10796	0.9
70.90384	1.6
70.90724	2.2
71.04996	10.2
71.95265	1.1
74.69883	0.9
79.05071	1.8
79.05499	25.1
81.07061	100.0
83.04971	1.7
83.08609	4.0
85.06522	4.1
87.13944	1.0
91.05482	16.2
93.06496	1.9
93.07050	33.7
95.04948	4.1
95.08612	30.8
96.08974	1.1
97.06518	3.8
97.10165	3.4
98.97579	8.3
99.08047	1.0
105.07036	34.6
107.08606	36.2
109.06531	13.5
109.10158	23.7
111.08098	8.6
115.05434	2.0
116.98641	1.4
117.07025	6.4
117.43539	1.2
119.08588	31.8
120.08112	2.2
121.06489	3.9
121.10155	23.2
123.08078	15.3
123.11684	3.6
125.09612	5.0
127.07554	4.3
128.06271	1.5
129.06996	3.5
130.07784	2.1
131.08569	19.7
133.10133	17.3
135.08037	8.2
135.11694	12.4
137.09631	10.5
141.07004	2.9
144.09294	2.0
145.10132	32.8
147.11697	5.8
149.09631	7.2
149.13235	6.9
151.11198	8.7
154.93173	2.0
157.06429	1.7
157.10158	2.1
158.10760	1.2
159.08075	2.0
159.11700	32.2
161.13269	20.0
163.07518	1.4
163.11186	18.9
164.08252	1.1
165.12703	2.3
173.05983	1.6
173.13257	10.2
174.06766	4.3
175.14835	8.7
177.09103	4.3
177.12756	5.3
177.16376	3.1
189.09100	5.5
191.17958	2.6
201.09070	3.7
201.16382	52.3
203.14291	4.9
219.08118	2.0
219.10075	8.9
219.13843	4.9
219.17442	95.0
220.17122	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	217.1297
Annotation	N-Acetyl-L-arginine
Peak:m/z	Relative Intensity
55.05520	1.0
60.04529	2.0
60.05652	14.6
61.04053	1.1
69.47324	2.7
69.47727	0.8
70.06596	100.0
71.04999	1.5
72.08160	8.7
80.66936	0.4
84.08163	1.2
86.09709	1.5
97.07679	0.7
98.20814	0.8
99.04490	0.4
101.00866	0.8
102.06671	28.2
106.64291	0.4
109.69569	0.4
111.04462	1.3
112.08735	7.8
113.07154	2.2
114.10320	1.0
115.08677	2.1
116.07102	30.0
119.01965	1.1
121.01662	0.8
130.09752	2.4
141.06569	1.2
145.03468	1.0
154.09761	4.8
155.07047	1.2
158.09262	36.6
159.07713	1.0
172.10811	3.8
173.08104	1.4
175.04561	0.7
175.11902	4.3
182.49672	0.5
184.62996	0.4
189.09814	0.4
199.11876	1.1
200.10315	7.3
216.30214	0.5
217.12968	45.3
219.77124	0.4
235.10458	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03938	2.4
55.01865	1.7
55.05512	26.6
56.17704	1.3
57.03442	3.6
57.07076	2.0
62.42101	1.4
64.75444	1.4
67.05507	28.1
69.07072	30.5
69.39269	11.4
70.03567	1.6
71.04998	12.7
79.05486	14.4
81.07061	73.8
83.04980	5.6
83.08630	21.2
85.06547	22.7
91.05483	15.4
93.07051	21.1
95.08610	100.0
96.59383	1.5
97.06532	27.1
97.10163	8.3
99.08105	11.2
101.06029	1.8
105.07047	22.6
107.08588	11.0
109.06517	2.4
109.10151	8.3
111.08097	5.0
113.09647	2.7
115.07571	1.9
119.08594	42.1
121.10159	13.3
123.07278	1.5
123.08083	9.5
127.07554	1.8
133.10136	26.4
135.11703	20.2
137.09618	3.2
137.13258	19.1
151.96265	1.6
159.11719	1.8
161.13268	79.6
179.14319	43.8
197.15338	18.1
198.65836	1.6
215.17981	4.2
225.91534	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01860	4.7
55.05515	70.7
55.37480	1.7
57.03428	5.1
57.07077	28.5
59.05001	2.5
61.24500	1.5
62.67440	1.6
63.25591	1.7
67.05511	16.5
69.03412	4.4
69.07074	64.8
69.31875	6.4
69.32298	7.2
70.06593	12.0
71.05009	15.1
71.08627	11.7
72.08155	8.7
73.06551	4.5
79.05503	13.1
81.03415	1.8
81.07059	48.7
81.27511	1.9
83.04992	18.9
83.08624	87.1
84.08134	4.7
85.06535	6.7
85.10184	6.2
86.06095	8.4
86.09706	2.6
87.04478	2.2
87.21021	1.5
93.07050	25.7
95.08614	31.6
97.06544	27.1
97.10177	53.6
97.39098	1.6
99.08086	2.9
100.07619	12.7
100.38193	1.5
101.06026	6.5
105.07014	2.5
107.08595	40.3
109.10154	11.4
111.04442	14.9
111.08088	23.7
111.11703	2.0
114.09208	8.6
115.07558	3.9
118.08588	2.4
121.00758	6.4
121.10155	33.2
123.11711	12.6
125.09656	16.6
126.09164	20.1
128.10741	2.6
129.05472	4.3
129.09111	3.0
132.08842	2.2
135.11707	8.6
137.13260	2.3
138.50572	1.8
139.01794	5.8
139.11185	10.5
139.14816	5.6
142.12285	2.0
144.02409	4.1
155.05949	1.9
155.07072	18.6
156.05652	2.9
156.17482	2.1
162.03444	6.3
163.14832	100.0
173.08148	13.0
181.15889	55.3
198.11261	26.5
198.18550	30.1
199.16985	5.7
216.12335	60.3
216.19710	13.0
217.08717	3.2
217.10699	10.8
217.12605	2.2
217.15759	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.46584	2.2
51.74327	2.0
53.03933	2.4
53.60121	1.9
55.05516	21.8
56.96569	3.3
57.03428	7.8
57.07072	2.4
65.03917	2.5
67.05508	62.7
69.07070	21.2
70.06590	5.0
71.04979	6.3
71.52116	3.4
72.08127	2.7
74.84824	2.3
79.05496	32.5
81.07059	100.0
83.04992	6.7
83.08620	16.1
85.06547	4.9
88.07619	6.4
91.05486	22.5
93.07047	58.3
95.04976	6.9
95.08616	27.1
97.06529	12.5
97.10169	3.2
98.97591	5.5
99.08105	3.7
105.07045	9.4
107.04951	4.4
107.08602	32.4
109.06550	3.6
109.10150	3.8
111.08078	5.9
117.07016	11.9
119.08572	4.3
121.06504	3.6
121.10145	16.1
123.11742	2.7
125.05993	3.3
127.03952	3.7
131.08577	9.8
133.10146	18.7
135.08064	3.6
135.11728	16.0
143.08585	3.1
145.10150	8.0
147.11690	2.5
149.06093	2.6
149.13263	38.3
151.03947	4.1
157.10149	6.7
159.11711	20.7
160.83559	2.5
167.07126	2.7
170.51651	2.5
171.11717	5.3
177.12805	8.4
178.57323	2.7
195.13808	9.4
213.05522	3.4
213.09145	5.3
213.14526	5.3
213.16394	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44004	0.5
58.06609	1.1
69.07069	13.2
70.06593	2.7
70.97614	1.1
71.06941	1.0
72.08139	0.5
77.00893	0.5
82.99845	6.9
84.08156	1.2
86.09711	89.4
87.88154	0.5
96.76685	0.5
97.06532	11.2
100.02464	3.4
101.00887	52.8
110.07116	0.6
111.00448	0.8
112.02482	0.9
113.00886	0.7
118.03535	11.0
119.01927	100.0
120.02015	1.0
126.07712	0.7
130.03528	1.8
131.01852	2.5
136.04550	1.2
137.02968	18.1
142.03496	0.9
144.05064	1.5
144.08714	1.8
151.46080	0.5
154.03487	1.9
155.05525	1.7
158.06598	0.8
162.09760	1.4
168.08713	6.7
172.04616	1.6
172.08052	0.7
172.90161	0.6
173.02972	1.4
173.06625	1.6
179.05554	0.7
186.09769	61.3
187.09906	0.8
190.09207	0.6
191.04024	1.2
191.07695	1.1
196.08205	1.9
197.06625	5.9
204.10823	16.9
209.11453	0.7
214.09250	38.9
215.07649	6.4
221.56129	0.6
232.10318	80.2
233.08681	4.2
233.10620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03934	2.7
55.01853	3.0
55.05495	3.9
56.96573	5.4
57.03424	2.7
61.02931	10.6
63.70022	0.8
65.03945	7.6
67.05486	3.1
69.03416	3.5
69.07069	2.3
69.56699	2.0
69.57114	3.8
70.06596	10.6
72.08160	25.8
73.02900	1.7
77.03937	1.0
79.05494	18.6
81.03409	1.1
81.07035	1.5
82.68707	0.8
83.08607	1.2
84.04489	1.3
84.08141	4.6
84.96027	0.9
85.02914	3.3
86.09708	41.6
87.04496	1.3
87.72680	1.1
88.04008	0.8
88.95262	0.9
89.03870	1.0
91.05467	5.7
93.03396	11.8
93.07053	1.1
95.04962	4.6
97.02895	4.0
98.21474	1.0
98.97569	5.1
99.04420	1.8
105.03360	2.0
107.04961	29.8
108.02100	2.0
109.06526	1.8
110.03664	24.4
110.07159	10.3
110.97592	2.0
111.04453	8.6
116.07104	1.9
116.98625	1.4
117.03359	1.2
119.01876	1.6
119.04951	2.4
120.08092	1.5
121.02825	1.6
121.06495	9.9
121.10112	1.2
122.03657	6.3
123.04415	1.4
125.05996	76.1
128.98615	1.4
129.10233	2.2
130.96326	6.5
133.02855	12.7
134.03656	0.8
134.99695	0.9
135.04417	28.6
135.08066	1.0
137.05975	6.9
141.05472	3.4
143.00153	1.1
147.04369	0.9
147.96567	1.4
148.97391	5.3
149.05978	23.6
149.09673	1.2
150.03125	10.8
151.03917	100.0
151.05037	11.8
152.04478	1.2
153.05463	14.8
155.04663	1.3
155.54771	2.8
156.06593	1.1
156.07703	5.2
162.03131	2.1
163.03952	8.4
163.07584	1.0
165.05479	41.3
166.06091	1.1
167.07033	21.8
177.05476	23.2
181.04950	2.5
185.16505	5.4
189.97603	2.5
195.06529	21.7
201.03999	1.0
202.38071	1.0
207.98816	1.4
212.56416	1.3
213.05746	1.6
213.07587	12.5
213.09570	1.5
213.12270	2.8
219.01831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03931	3.2
55.01858	3.8
55.05509	15.1
57.03436	9.8
57.07067	2.7
65.03941	2.3
67.05506	68.9
69.07073	20.7
69.09269	1.4
69.90962	2.1
69.91362	4.5
71.04993	5.5
79.05492	33.5
81.03413	3.6
81.07057	100.0
83.04990	8.2
83.08617	20.7
83.89464	1.7
85.06539	6.2
88.07610	2.4
91.05482	23.0
93.07047	63.2
95.04985	4.4
95.08605	25.4
97.06541	12.4
97.10148	2.6
99.08106	4.2
105.04507	2.0
105.07060	8.5
107.04974	2.1
107.08599	33.1
109.06572	2.3
109.10167	3.6
111.08065	8.6
117.07034	11.5
121.06506	2.8
121.10136	19.4
123.11705	4.7
125.09694	1.8
131.08568	11.3
133.10150	14.8
135.08113	1.7
135.11687	18.3
143.08539	2.6
149.13264	46.3
159.11694	22.3
165.12817	1.5
177.12746	12.2
195.13800	10.9
213.14616	1.4
213.16403	5.5
222.87808	1.4
223.45697	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01857	0.7
55.05270	0.9
55.05514	13.1
56.96561	2.8
57.03414	1.2
57.07072	3.4
59.04997	2.3
65.03941	0.8
65.90475	0.6
67.05507	23.8
69.03429	8.7
69.07069	14.7
70.69055	1.6
71.05012	4.1
71.08627	2.0
79.05485	5.1
81.03408	0.6
81.07055	25.6
83.04982	13.5
83.08621	9.2
84.08153	1.3
85.06542	4.3
86.09706	0.9
91.05452	4.2
93.07042	10.6
95.04969	2.9
95.08606	37.6
97.06506	1.2
97.10181	3.6
97.99194	1.8
99.08100	4.9
101.18291	0.6
105.07036	6.5
107.08592	22.5
109.06520	13.3
109.10155	100.0
111.08083	4.5
111.11710	0.7
113.09636	2.3
117.07009	0.9
119.08585	22.7
121.06472	0.7
121.10145	11.2
123.04416	0.8
123.08065	15.0
123.11710	10.1
124.05206	0.9
125.09645	1.6
127.28895	0.6
133.10136	19.9
135.11691	68.5
137.09618	16.5
138.10394	1.1
139.11220	2.9
145.10124	0.8
147.11723	1.5
149.13242	6.0
151.11198	9.3
151.14809	11.6
153.12740	2.7
163.34737	0.6
165.12807	0.7
165.16458	2.9
167.07033	16.7
175.14824	19.3
183.15773	2.0
193.15878	20.1
208.68153	0.8
211.15244	1.1
211.16985	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.98499	1.0
53.03934	1.3
53.59221	0.9
54.02648	1.0
55.05510	12.2
56.96590	1.4
57.03445	1.5
57.07071	4.9
57.07310	1.1
59.04998	2.0
67.05511	27.5
69.03439	11.1
69.07073	16.6
71.04995	5.0
71.11961	1.3
71.12284	2.5
79.05497	3.3
81.07063	24.8
83.04982	16.3
83.08628	9.2
85.06535	3.7
86.97770	1.1
91.05476	4.7
93.07053	10.9
95.04954	3.1
95.08614	34.8
97.06540	1.5
97.10184	1.8
99.08104	4.4
105.07038	6.6
107.08602	25.6
109.06525	12.2
109.10164	100.0
111.08086	3.6
113.09643	2.3
119.08592	22.0
121.10137	9.0
123.08072	13.5
123.11697	11.8
125.09655	1.2
127.11217	1.8
129.66858	1.2
133.10138	18.1
135.11702	73.8
137.09618	18.2
139.11200	2.2
147.11646	1.5
149.13252	6.7
151.11215	13.2
151.14836	16.0
153.12775	3.0
165.16457	3.9
167.07066	6.0
175.14845	23.8
193.15898	20.0
211.09755	1.2
211.16956	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	212.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01862	8.6
55.05508	8.7
56.05033	6.2
56.96574	12.3
57.01873	2.2
57.03431	10.0
59.10773	2.1
60.04509	3.1
61.02909	3.0
64.89836	2.2
65.03952	3.2
65.52328	2.2
67.05505	14.6
68.05016	4.5
68.58391	2.3
69.03429	10.2
69.07064	4.7
70.02955	3.5
70.06596	100.0
71.04998	7.8
71.51367	3.7
72.08171	11.4
73.02920	4.2
74.06066	5.4
79.05069	3.8
79.05496	41.8
80.05019	5.6
81.03414	8.9
81.07065	12.4
82.06595	14.4
83.05008	11.1
84.04503	7.9
84.08146	65.2
85.02901	9.8
86.06075	15.3
86.09722	14.7
88.03999	8.6
88.07608	4.8
91.05487	41.6
92.05795	5.0
93.07045	24.5
94.06574	7.5
95.04968	36.0
95.08619	3.5
96.04550	4.8
96.05306	16.8
96.08137	3.5
97.02887	14.1
97.06557	3.0
98.06033	6.5
98.20738	2.2
98.97582	11.4
100.07612	12.3
103.05447	11.4
104.05827	2.5
105.07050	14.0
107.04964	71.5
107.08591	7.9
108.08134	4.5
109.02919	3.5
109.06519	3.0
110.06050	5.0
110.07137	8.4
110.97588	4.9
111.04420	5.0
111.09187	2.9
112.07603	8.1
112.08717	5.1
115.05457	2.9
116.06218	2.7
116.07022	3.0
116.98624	4.4
117.06992	5.8
119.04948	13.6
120.05287	2.8
120.08121	48.2
121.06513	21.6
121.08440	4.9
121.10140	3.7
122.06061	4.1
122.06866	3.8
123.04429	4.4
124.04752	3.9
124.07609	2.9
125.06024	3.2
126.09146	7.5
127.03931	6.6
129.06952	2.9
129.10254	18.9
130.06509	5.9
131.04924	20.3
131.08563	30.7
133.06503	5.5
133.10133	7.9
134.06018	6.9
134.06947	3.4
134.09671	6.5
135.04469	3.6
135.08026	11.3
136.07571	13.3
137.05969	8.2
141.07056	3.9
142.06093	9.9
143.58124	5.4
144.05736	4.6
144.10229	3.9
145.05083	2.6
148.07591	4.6
148.11247	10.0
149.05980	5.9
149.09605	13.1
150.06271	6.5
150.09081	3.1
151.03891	14.4
152.04247	37.1
152.06973	4.0
152.10684	8.1
152.14302	4.9
155.99420	2.9
157.61359	2.8
158.09544	2.6
158.99634	3.2
159.08069	76.0
161.04576	2.4
163.04010	4.4
165.05475	2.5
166.03133	2.3
166.08675	6.5
166.12291	3.9
167.07021	9.5
168.07419	17.3
176.10701	44.2
177.05472	3.3
177.09102	13.0
180.03226	2.8
182.08954	2.4
183.98853	6.9
184.06061	7.8
184.08284	2.9
191.05461	6.9
194.02690	2.8
194.05235	2.6
194.08096	7.6
194.11752	81.8
195.06526	3.1
200.06035	30.2
200.07562	2.7
200.56233	8.0
203.07858	2.7
210.03770	4.3
211.56844	4.2
211.98367	2.7
212.03694	4.0
212.05406	3.3
212.07349	2.7
212.09198	4.7
212.12814	50.4
212.16312	18.3
225.06055	6.3
228.04707	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	211.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07346	1.0
55.05515	12.5
55.79514	1.2
57.07067	3.3
59.05000	1.9
59.32333	1.0
65.21935	1.0
67.05508	24.7
69.03430	9.6
69.07072	15.0
69.48941	1.0
70.79342	1.9
71.04987	4.6
71.93890	1.2
77.97681	1.0
78.92149	0.9
79.05489	5.5
81.06596	1.5
81.07064	25.5
83.04993	14.0
83.08628	9.4
85.06535	3.1
91.05473	3.1
93.07066	9.1
95.04973	3.1
95.08614	37.5
97.06527	2.6
97.10143	2.4
99.08083	3.8
105.07048	6.3
107.08603	23.5
109.06524	11.4
109.10161	100.0
111.08125	2.6
113.09647	2.5
119.08591	20.9
121.10149	12.2
123.08071	12.8
123.11723	9.9
125.09650	2.5
127.11094	1.4
133.10138	19.1
135.11697	67.2
137.08662	1.6
137.09625	15.1
139.11205	2.4
147.11690	1.9
149.13266	6.0
149.28976	1.1
151.11208	12.6
151.14822	14.0
153.12758	2.1
165.16415	2.9
167.07028	4.7
175.14838	23.8
193.15868	21.0
198.92520	1.1
211.16924	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	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01873	3.0
55.05513	15.0
56.96561	9.2
57.03445	1.2
57.07064	2.9
59.04992	2.1
67.05507	26.2
69.03426	9.8
69.07069	19.0
69.36776	9.0
71.04985	4.6
79.05492	5.6
81.03420	2.3
81.07056	31.1
83.04985	13.0
83.08616	9.0
84.08115	1.2
84.96033	1.5
85.06539	4.7
91.05484	6.9
93.07047	12.6
95.04971	5.9
95.08609	36.0
97.06520	3.5
97.10143	2.3
97.99167	3.3
99.04427	1.8
99.08111	5.8
105.07037	9.7
106.04195	1.8
107.04984	2.1
107.08593	23.1
109.06528	12.1
109.10156	100.0
111.08073	3.9
113.09647	1.7
117.07070	1.3
119.07806	2.1
119.08583	24.5
121.06546	1.2
121.10165	10.6
123.04441	4.3
123.08068	16.4
123.11714	10.4
125.09622	2.6
127.11260	1.3
129.06953	2.1
133.10143	22.1
135.11690	68.9
137.05991	5.2
137.09618	18.3
139.11197	2.3
147.08118	1.0
147.11707	6.4
149.05954	1.6
149.13255	5.5
151.03969	2.1
151.11188	11.9
151.14821	10.7
153.12703	1.9
155.01642	1.7
165.12802	2.6
165.16408	2.6
167.07034	34.8
175.11165	3.0
175.14822	25.7
181.08636	1.9
183.28568	1.0
190.15062	1.3
193.12254	2.3
193.14232	1.9
193.15900	21.7
211.07513	1.5
211.16901	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03932	4.6
55.01870	6.4
55.05243	1.2
55.05513	43.5
56.96568	100.0
57.03443	6.8
57.07066	3.2
65.03935	1.8
66.57997	1.2
67.05507	37.7
69.03435	9.7
69.07072	16.2
69.97254	4.6
70.06597	2.2
70.79623	1.2
71.04997	8.5
72.08138	1.8
74.97610	2.5
79.05076	2.4
79.05497	30.6
81.03420	88.9
81.07056	43.6
83.04498	2.6
83.04986	48.5
83.08157	2.4
83.08626	39.4
84.96038	19.1
85.02892	1.8
85.06525	5.4
91.05482	35.9
93.07052	21.9
95.04378	2.1
95.04973	32.3
95.08610	24.0
97.02880	5.2
97.06534	8.0
97.10177	10.7
97.99187	39.1
98.20804	1.2
99.04435	2.6
99.08085	3.9
102.90307	1.2
102.97070	2.4
105.07034	26.7
107.04956	7.3
107.08601	13.4
109.06548	6.3
109.10161	12.9
111.04442	3.1
111.08091	15.3
113.06028	1.7
115.05399	1.6
116.00232	18.3
119.04951	1.4
119.08597	23.3
121.06500	3.1
121.10123	8.6
123.08059	5.2
123.11687	2.8
125.09634	2.5
125.98708	2.1
129.07018	10.0
131.08568	13.3
132.96446	1.4
133.06461	2.9
133.10136	17.4
134.01241	1.6
135.11681	5.5
137.05977	4.4
137.09596	5.3
139.01796	4.3
141.05502	1.5
141.96976	1.3
142.06116	4.4
142.07803	3.1
143.99632	3.1
147.08110	3.1
147.11691	18.8
149.09650	8.1
151.07495	1.4
151.11124	2.7
153.47713	1.9
155.98039	1.9
157.10141	18.1
162.00723	1.3
164.97020	2.3
165.12753	4.3
167.07048	3.4
167.48744	1.4
175.11197	20.1
175.14853	8.1
182.98514	1.2
183.06508	3.9
193.12241	55.8
193.15912	4.7
203.89053	1.4
211.06013	3.9
211.09312	2.1
211.11212	1.7
211.13208	25.2
211.16905	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.40512	0.5
52.37699	0.5
53.03947	1.3
54.15249	0.6
55.01882	2.4
55.05510	9.8
56.96569	4.8
57.03447	2.1
57.07078	4.6
58.06596	0.6
59.05004	0.9
61.86784	0.5
65.03934	0.6
67.05175	0.4
67.05508	16.2
69.03435	2.6
69.07072	23.2
69.56697	3.0
70.06602	2.0
71.05000	8.2
77.03951	0.8
78.04713	1.2
79.05492	9.5
81.03420	1.9
81.07057	21.5
83.04993	7.3
83.08638	3.6
84.04506	0.8
84.08148	1.2
84.96045	0.9
85.06548	9.2
86.09724	1.0
91.04906	1.3
91.05484	27.7
93.07045	23.8
94.33262	0.6
95.04973	32.2
95.08611	10.8
97.02839	0.5
97.06543	3.5
97.10198	0.7
97.99182	1.3
98.97598	2.2
99.04464	3.3
99.08098	14.6
101.06023	1.0
103.05485	3.3
105.07034	27.0
106.04205	1.3
107.04976	1.6
107.08600	12.8
109.06522	24.0
109.10163	16.0
111.04465	0.7
111.08103	2.0
113.05996	3.0
115.05503	0.5
115.07593	0.9
116.00203	0.6
116.98624	0.9
117.07027	0.6
119.04974	1.2
119.08585	12.0
119.09383	1.1
121.06521	6.2
121.10151	3.3
123.04424	3.5
123.08046	2.7
123.11703	3.8
124.05225	1.3
125.06023	1.9
125.09645	1.9
127.07555	3.7
129.07047	0.8
131.08578	7.4
133.06494	2.9
133.10135	100.0
135.08038	1.3
135.11691	4.6
136.07408	0.6
137.05972	11.0
137.09625	12.0
139.07545	0.7
140.10686	0.8
141.05498	0.8
141.09120	0.8
142.06093	1.1
147.04474	0.7
147.10521	1.2
147.11694	22.8
149.05981	10.1
149.09653	3.1
149.13260	1.0
151.03914	1.3
151.07623	3.9
151.11191	63.7
152.04636	0.7
155.07042	19.4
155.10675	6.0
157.10164	1.4
158.99646	0.9
160.05711	1.0
161.05997	1.3
165.05437	1.2
165.09071	1.0
165.12730	4.9
166.06245	2.6
167.07045	43.6
168.10194	1.2
169.08601	1.8
169.12285	0.6
175.11203	10.5
175.14836	3.8
179.07019	0.7
180.07773	1.2
181.08606	12.0
183.06538	1.2
193.05067	0.8
193.06898	0.6
193.12250	30.6
193.15981	4.2
211.02319	0.7
211.05933	1.3
211.07809	1.0
211.10004	3.4
211.13275	27.9
211.16920	6.6
212.05266	0.8
232.61334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01870	6.4
55.05243	1.2
55.05513	43.5
56.96568	100.0
57.03443	6.8
57.07066	3.2
65.03935	1.8
66.57997	1.2
67.05507	37.7
69.03435	9.7
69.07072	16.2
69.97254	4.6
70.06597	2.2
70.79623	1.2
71.04997	8.5
72.08138	1.8
74.97610	2.5
79.05076	2.4
79.05497	30.6
81.03420	88.9
81.07056	43.6
83.04498	2.6
83.04986	48.5
83.08157	2.4
83.08626	39.4
84.96038	19.1
85.02892	1.8
85.06525	5.4
91.05482	35.9
93.07052	21.9
95.04378	2.1
95.04973	32.3
95.08610	24.0
97.02880	5.2
97.06534	8.0
97.10177	10.7
97.99187	39.1
98.20804	1.2
99.04435	2.6
99.08085	3.9
102.90307	1.2
102.97070	2.4
105.07034	26.7
107.04956	7.3
107.08601	13.4
109.06548	6.3
109.10161	12.9
111.04442	3.1
111.08091	15.3
113.06028	1.7
115.05399	1.6
116.00232	18.3
119.04951	1.4
119.08597	23.3
121.06500	3.1
121.10123	8.6
123.08059	5.2
123.11687	2.8
125.09634	2.5
125.98708	2.1
129.07018	10.0
131.08568	13.3
132.96446	1.4
133.06461	2.9
133.10136	17.4
134.01241	1.6
135.11681	5.5
137.05977	4.4
137.09596	5.3
139.01796	4.3
141.05502	1.5
141.96976	1.3
142.06116	4.4
142.07803	3.1
143.99632	3.1
147.08110	3.1
147.11691	18.8
149.09650	8.1
151.07495	1.4
151.11124	2.7
153.47713	1.9
155.98039	1.9
157.10141	18.1
162.00723	1.3
164.97020	2.3
165.12753	4.3
167.07048	3.4
167.48744	1.4
175.11197	20.1
175.14853	8.1
182.98514	1.2
183.06508	3.9
193.12241	55.8
193.15912	4.7
203.89053	1.4
211.06013	3.9
211.09312	2.1
211.11212	1.7
211.13208	25.2
211.16905	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
53.03942	4.1
55.01879	12.0
55.05517	28.5
57.03449	3.5
57.07071	7.7
59.05017	3.0
60.40393	2.2
65.03945	3.3
67.05502	17.1
69.03432	7.2
69.07081	11.5
70.04384	9.1
70.06598	3.7
71.05001	12.9
78.04699	2.8
79.05503	19.7
81.07054	24.5
83.01352	2.5
83.04991	64.0
83.08626	13.6
83.09370	1.9
84.08162	3.0
85.02917	2.1
85.06546	5.4
86.09749	2.6
91.05482	29.5
93.03430	7.0
93.07055	33.6
95.04982	41.7
95.08604	18.6
97.06539	27.2
97.10157	3.8
98.97593	2.1
99.04474	7.1
99.08091	7.2
103.05480	7.5
105.07055	17.2
106.04165	16.5
107.04964	7.4
107.08611	43.5
109.06531	100.0
109.10170	25.9
110.07189	4.3
111.04502	2.0
111.08116	9.3
113.06016	2.4
113.09647	2.2
117.07016	3.7
117.96524	2.1
119.08601	6.9
121.06523	29.1
121.10155	32.7
123.08065	10.0
123.11723	4.7
125.05982	8.3
125.09649	21.1
131.04980	3.5
131.08583	44.6
133.10152	28.7
134.03650	4.6
135.04381	2.6
135.08058	21.3
135.11714	4.7
137.05991	5.1
137.09627	2.8
139.07567	6.0
139.11240	2.7
145.10120	15.4
147.08089	3.0
147.11726	6.7
148.05205	3.5
149.06010	25.2
149.09633	39.9
149.10760	2.8
149.13263	11.6
151.07497	3.1
151.11200	24.0
152.08278	2.4
153.09123	30.3
158.10974	3.3
159.04488	2.7
163.11214	8.4
163.14857	8.5
165.12817	2.5
167.10680	3.4
167.14371	17.0
173.13272	17.3
177.05504	19.4
177.30510	2.2
180.18866	1.9
181.08575	4.8
191.07063	4.8
191.10699	13.3
191.14343	27.5
191.21846	1.9
194.00259	12.0
209.02705	9.9
209.08195	14.9
209.10066	2.7
209.11932	14.3
209.15390	54.7
214.78645	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.78844	0.9
53.03933	1.2
55.01867	4.4
55.05514	25.2
57.03425	2.4
57.07071	5.2
59.04991	3.2
64.07994	0.9
65.03927	1.6
67.05177	1.1
67.05508	12.5
68.99801	1.6
69.03430	22.7
69.07072	17.4
69.17547	8.1
71.05002	10.4
79.05495	20.3
81.03391	1.1
81.07059	12.5
83.04497	1.2
83.04984	20.4
83.08615	8.8
85.02903	1.0
85.06550	8.4
86.09692	0.9
91.05482	15.3
93.03387	0.9
93.06484	1.7
93.07051	28.4
95.04971	10.9
95.08610	17.6
97.06551	7.7
97.10181	17.7
98.20753	1.9
99.04443	1.8
99.07501	1.0
99.08102	11.8
103.05416	1.1
105.04475	1.1
105.07038	16.7
106.04166	2.1
107.04962	7.6
107.08599	47.6
109.06528	13.6
109.10165	14.9
110.07201	1.5
111.04452	2.6
111.08088	9.1
113.06005	8.4
116.06229	0.9
117.07046	4.4
119.08572	6.1
121.06512	16.0
121.10152	32.0
121.11044	1.7
121.74879	1.0
123.08067	4.8
123.11677	4.8
125.06019	7.9
125.09637	98.0
127.07533	2.5
129.06967	1.4
130.07820	1.4
131.04909	1.0
131.08572	41.2
133.10136	10.5
135.04408	0.8
135.08051	13.2
135.11691	7.2
137.09616	4.0
139.07584	4.9
139.11201	4.4
141.05495	0.9
143.08572	1.3
145.10136	17.1
147.08049	3.2
147.11708	5.1
149.06035	4.9
149.09627	100.0
149.13261	12.7
151.07579	1.1
151.11191	42.9
153.05481	3.6
153.09117	21.0
154.09868	2.2
155.10811	0.8
158.10938	1.6
163.07578	1.3
163.11188	11.4
163.14825	13.2
165.09120	2.2
165.12749	1.1
167.10658	5.8
167.14323	5.1
173.09644	2.3
173.13278	8.7
177.05467	2.8
181.05014	0.8
181.15802	0.8
191.10681	14.6
191.14305	38.8
194.00333	1.9
209.02713	2.1
209.08177	1.1
209.11824	22.0
209.15373	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	9.4
55.01875	21.7
55.05515	9.4
57.03422	4.0
57.07088	2.5
59.04994	2.8
65.03950	13.8
67.05511	12.4
69.03434	13.1
69.07078	9.5
69.97016	8.8
70.06596	3.6
71.05002	9.8
75.04471	7.8
77.03895	2.4
78.04711	12.8
79.05493	22.3
81.03403	5.4
81.07068	28.7
83.04966	9.9
83.08608	7.3
83.81293	1.6
84.08154	4.1
85.02908	10.2
85.06533	1.9
86.09702	4.4
89.03902	6.0
89.06023	2.9
91.05486	58.2
93.03406	25.5
93.07047	33.6
95.04971	34.5
95.08625	15.4
97.06534	18.4
97.10120	2.0
98.21467	1.8
99.04444	9.6
99.08085	2.3
99.73366	1.8
103.05467	23.5
105.03381	3.5
105.04531	5.9
105.07046	22.0
106.03473	4.0
106.04180	73.8
107.04984	8.2
107.08601	39.7
108.05743	2.9
109.06524	49.9
109.10167	18.8
110.07189	3.4
111.04396	3.7
111.08066	2.4
113.06013	1.7
115.07513	2.5
115.10076	1.9
117.03371	7.5
117.07016	5.2
118.04169	2.7
119.04948	6.3
119.08563	7.3
120.05711	1.8
121.02917	1.8
121.06515	84.1
121.10143	26.3
122.07278	5.9
123.04411	5.0
123.08069	11.2
123.11697	4.8
124.05186	5.1
124.08741	2.9
125.06005	19.2
125.09600	8.9
129.06987	1.7
131.04936	11.6
131.05843	1.5
131.08549	14.3
133.06496	2.2
133.10136	80.0
134.03645	14.0
135.04399	5.0
135.08076	20.4
135.11694	5.2
137.05992	17.8
137.09633	42.6
138.06775	5.2
139.07520	7.8
139.11122	2.8
143.08499	2.2
145.02855	8.1
145.10147	10.5
147.04422	4.9
147.11696	6.6
148.05188	10.4
149.05994	100.0
149.09615	20.6
149.13264	14.1
151.03860	2.2
151.07529	3.4
151.11197	19.0
152.08211	7.2
153.05501	7.1
153.09125	30.7
158.10876	2.3
159.04419	2.1
163.03964	3.7
163.07608	8.6
163.11191	5.8
163.14798	8.1
165.12758	9.8
166.06262	4.3
167.07042	4.0
167.10706	2.6
167.14326	3.2
173.13280	19.8
177.05487	57.3
181.07144	1.9
181.08614	26.5
191.07027	11.8
191.10675	4.5
191.14308	27.7
194.02129	6.9
194.05745	3.8
194.09338	2.1
209.04462	6.4
209.08070	34.2
209.10223	11.0
209.11835	5.4
209.15353	36.4
225.09587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01875	21.7
55.05515	9.4
57.03422	4.0
57.07088	2.5
59.04994	2.8
65.03950	13.8
67.05511	12.4
69.03434	13.1
69.07078	9.5
69.97016	8.8
70.06596	3.6
71.05002	9.8
75.04471	7.8
77.03895	2.4
78.04711	12.8
79.05493	22.3
81.03403	5.4
81.07068	28.7
83.04966	9.9
83.08608	7.3
83.81293	1.6
84.08154	4.1
85.02908	10.2
85.06533	1.9
86.09702	4.4
89.03902	6.0
89.06023	2.9
91.05486	58.2
93.03406	25.5
93.07047	33.6
95.04971	34.5
95.08625	15.4
97.06534	18.4
97.10120	2.0
98.21467	1.8
99.04444	9.6
99.08085	2.3
99.73366	1.8
103.05467	23.5
105.03381	3.5
105.04531	5.9
105.07046	22.0
106.03473	4.0
106.04180	73.8
107.04984	8.2
107.08601	39.7
108.05743	2.9
109.06524	49.9
109.10167	18.8
110.07189	3.4
111.04396	3.7
111.08066	2.4
113.06013	1.7
115.07513	2.5
115.10076	1.9
117.03371	7.5
117.07016	5.2
118.04169	2.7
119.04948	6.3
119.08563	7.3
120.05711	1.8
121.02917	1.8
121.06515	84.1
121.10143	26.3
122.07278	5.9
123.04411	5.0
123.08069	11.2
123.11697	4.8
124.05186	5.1
124.08741	2.9
125.06005	19.2
125.09600	8.9
129.06987	1.7
131.04936	11.6
131.05843	1.5
131.08549	14.3
133.06496	2.2
133.10136	80.0
134.03645	14.0
135.04399	5.0
135.08076	20.4
135.11694	5.2
137.05992	17.8
137.09633	42.6
138.06775	5.2
139.07520	7.8
139.11122	2.8
143.08499	2.2
145.02855	8.1
145.10147	10.5
147.04422	4.9
147.11696	6.6
148.05188	10.4
149.05994	100.0
149.09615	20.6
149.13264	14.1
151.03860	2.2
151.07529	3.4
151.11197	19.0
152.08211	7.2
153.05501	7.1
153.09125	30.7
158.10876	2.3
159.04419	2.1
163.03964	3.7
163.07608	8.6
163.11191	5.8
163.14798	8.1
165.12758	9.8
166.06262	4.3
167.07042	4.0
167.10706	2.6
167.14326	3.2
173.13280	19.8
177.05487	57.3
181.07144	1.9
181.08614	26.5
191.07027	11.8
191.10675	4.5
191.14308	27.7
194.02129	6.9
194.05745	3.8
194.09338	2.1
209.04462	6.4
209.08070	34.2
209.10223	11.0
209.11835	5.4
209.15353	36.4
225.09587	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03943	5.7
53.80220	1.0
55.01876	13.8
55.05278	1.3
55.05515	20.2
57.03429	3.3
57.07075	2.4
59.04984	1.9
64.08862	1.0
65.03947	5.3
65.37756	1.0
66.04725	1.3
67.05505	11.2
68.07763	1.2
69.03442	6.9
69.07073	14.1
69.18173	1.1
69.38390	7.2
70.06592	2.1
71.04990	9.3
72.18912	1.0
75.04483	5.7
77.03915	2.5
78.04725	6.5
79.05498	18.1
81.03402	1.6
81.07055	13.6
82.04197	1.0
83.01347	34.4
83.04989	17.4
83.08627	8.0
84.08128	2.8
85.02905	5.5
85.06559	6.8
86.09732	2.6
89.03912	3.3
89.06046	1.2
89.86905	1.0
91.05482	32.5
93.03410	16.8
93.06488	2.1
93.07050	30.4
95.04980	17.3
95.08611	9.7
97.06532	27.8
97.10181	3.0
99.00268	1.1
99.04473	7.7
99.08096	30.4
101.06007	8.4
103.05468	15.0
105.03432	2.0
105.04507	3.2
105.07040	11.9
106.04183	52.9
107.04968	9.6
107.08601	34.7
109.06511	12.1
109.10164	11.2
110.07205	1.9
111.04427	4.8
111.08083	14.5
115.05412	2.0
117.03394	2.7
117.07011	2.7
119.04925	3.2
119.08575	7.2
120.05713	1.1
121.06512	57.6
121.09338	1.9
121.10144	21.1
123.04430	2.0
123.08097	5.6
123.11686	3.2
124.05148	1.9
125.06009	16.2
125.09639	29.4
127.07515	1.8
129.06999	1.2
131.04919	4.5
131.08566	23.0
133.10132	18.4
134.03625	9.9
135.04448	3.0
135.08057	13.4
135.11697	6.2
137.05998	7.1
137.09607	7.7
138.06726	3.6
139.06519	2.2
139.07549	27.9
139.11183	10.9
145.02866	3.8
145.06444	1.6
145.10150	8.9
147.04442	1.8
147.08058	1.6
147.11647	2.5
148.05185	6.3
149.05995	63.7
149.09627	33.9
149.13206	6.8
151.07568	3.1
151.11197	14.2
152.08221	1.8
153.05479	4.1
153.09108	28.4
154.09924	1.4
155.10628	2.1
158.10947	1.2
163.03911	1.6
163.07602	5.8
163.11214	7.8
163.14842	7.8
165.09088	1.8
165.12799	2.5
166.06328	2.8
167.07047	1.8
167.10690	5.9
167.14316	4.6
173.09613	1.7
173.13271	9.9
176.04666	2.1
177.05476	31.7
180.07784	1.3
181.08612	13.0
181.15889	10.1
191.03441	3.3
191.07028	4.4
191.10719	10.2
191.14325	24.5
194.00304	3.2
194.02094	2.4
194.05740	5.0
209.02643	2.8
209.04498	2.7
209.08119	28.6
209.10109	1.8
209.11780	11.7
209.15372	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02369	1.2
53.03938	3.3
55.01874	9.1
55.05511	11.5
57.03428	1.6
57.07061	1.2
61.02909	0.8
61.23719	0.8
65.03931	3.7
67.05505	19.5
69.03431	4.1
69.07071	11.5
71.04602	1.4
71.04993	20.1
71.11992	1.0
72.08149	1.1
74.67017	0.7
75.04475	2.3
75.36892	0.7
77.03912	1.9
78.04705	3.3
79.05494	43.1
80.31326	0.7
81.03415	1.8
81.07053	10.4
83.01346	8.0
83.04984	16.9
83.08617	3.6
84.08170	1.0
85.02895	1.2
85.06537	5.7
86.09698	1.2
87.04455	1.0
89.03918	1.7
89.85870	0.8
91.05479	30.5
93.03423	4.5
93.07046	40.1
95.04971	15.1
95.08607	4.4
97.06533	13.1
97.10143	1.2
99.04457	1.4
99.08096	7.1
99.10446	0.8
101.06031	2.6
103.05464	6.6
105.03383	1.4
105.04496	2.0
105.07037	26.0
106.04177	14.9
107.04958	25.5
107.08598	50.4
109.06516	9.8
109.10137	4.4
109.51893	1.0
111.04449	8.8
111.08080	3.7
115.05413	1.6
116.06258	1.6
117.07019	8.2
119.08593	14.6
121.06511	42.1
121.10146	32.2
123.04428	4.5
123.08096	4.1
123.11731	1.3
125.06001	13.6
125.09615	9.0
129.07011	6.5
130.07759	2.4
131.04924	3.0
131.08571	96.5
132.08853	1.1
133.06439	2.4
133.10138	3.6
134.03654	1.9
135.04427	2.4
135.08029	5.6
135.11678	8.3
137.05994	4.3
137.09599	4.3
138.03299	0.9
139.07553	8.7
139.11142	2.2
141.05447	2.3
143.08589	1.8
145.02881	2.3
145.06470	3.3
145.10129	41.4
147.08075	7.0
147.11703	1.5
148.05180	2.5
149.05997	25.6
149.09621	100.0
149.13304	2.7
150.09975	1.2
151.04031	1.0
151.07588	1.3
151.11180	6.9
152.08218	1.7
153.05473	10.0
153.09111	8.2
154.09880	1.3
155.07054	1.9
155.08511	1.4
163.07539	6.4
163.11182	31.7
163.14799	1.6
165.09117	17.2
165.62422	0.8
166.06223	1.3
167.07001	4.3
167.10664	16.1
167.14317	5.3
173.09648	7.5
173.13248	2.4
177.05484	10.6
181.08597	3.7
181.15901	2.1
191.03429	5.3
191.07077	1.7
191.10675	56.0
191.14264	7.8
194.00465	1.2
209.02640	2.1
209.08130	7.4
209.11748	87.9
209.15262	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.40102	1.2
53.03932	1.7
53.17255	1.1
55.01860	4.8
55.05511	6.5
57.03420	2.7
67.05496	6.7
67.16789	1.1
69.03427	2.0
69.07073	13.5
70.08590	2.4
70.09001	4.0
71.04989	19.3
72.78892	1.1
77.03905	1.3
79.05074	2.1
79.05497	32.4
81.07062	8.9
83.01343	2.7
83.04981	8.4
91.05478	20.3
93.07051	35.1
95.04975	7.3
95.08606	3.1
97.06525	9.8
98.21432	1.4
99.08089	3.2
104.78783	1.4
105.07035	26.0
107.04953	14.6
107.08599	49.4
109.06529	4.5
111.04400	1.8
116.06211	1.7
117.07021	4.4
119.08573	7.5
120.66960	1.3
121.06509	32.9
121.09335	2.3
121.10147	27.4
123.08044	2.3
125.05991	6.7
125.09641	4.4
129.06964	4.4
130.07779	3.0
131.08565	100.0
133.10034	1.6
135.04427	1.5
135.08060	4.5
135.11671	6.7
139.07536	5.3
139.11168	2.3
141.05478	2.8
143.08548	1.6
145.10124	35.0
147.08038	5.0
147.11668	3.8
149.06013	6.1
149.09621	79.8
153.05476	11.5
153.09074	2.6
155.06972	2.3
163.11186	30.0
165.09122	3.9
167.07028	5.2
167.10675	3.6
173.09558	3.6
173.13185	2.2
191.03415	5.1
191.10672	31.6
191.14305	1.7
194.00343	2.1
209.02919	1.5
209.09767	3.0
209.11737	57.8
209.15285	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03941	2.4
55.01867	4.5
55.05515	12.0
57.03425	5.4
57.07063	2.3
59.04979	1.4
63.83245	1.2
67.05507	10.1
69.03434	11.3
69.07076	19.0
69.96304	2.8
69.96690	2.7
71.04994	26.8
79.05498	40.1
81.07066	13.2
83.04985	14.2
83.08618	3.6
85.06535	4.5
85.53411	1.2
91.05489	23.5
93.07048	40.1
95.04967	17.0
95.08607	5.3
97.06530	7.6
97.10188	6.4
99.04464	2.3
99.08112	5.6
103.05469	1.5
105.07034	31.2
106.04202	2.0
107.04960	17.5
107.08602	62.5
108.83334	1.2
109.06519	9.6
109.10156	5.4
111.04440	3.1
111.08088	2.4
113.06038	3.2
115.05436	2.0
116.06248	2.0
117.07034	8.3
119.08582	8.9
121.06514	36.9
121.10155	38.1
123.04430	1.5
123.08079	4.0
123.11691	1.7
125.05975	5.7
125.09644	32.2
129.06061	1.3
129.07014	4.0
130.07796	3.7
131.08578	100.0
133.10136	4.9
135.04401	2.9
135.08055	6.4
135.11679	6.0
137.05989	2.5
139.07581	3.8
139.11240	2.1
141.05479	2.9
143.08582	1.6
145.10138	39.8
147.08081	4.0
147.11731	4.3
149.06039	6.0
149.09627	97.5
149.13274	5.2
151.07538	1.5
151.11200	16.5
153.05476	11.4
153.09108	10.9
158.27417	1.2
163.11185	24.2
163.14819	2.6
165.09106	3.0
167.07047	4.0
167.10675	6.0
167.14388	1.4
173.09630	3.6
173.13242	4.6
177.05444	3.9
191.10687	31.6
191.12431	2.0
191.14279	11.4
194.02139	3.0
209.04489	1.6
209.08321	2.9
209.11757	51.9
209.15331	21.5
223.49686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03934	2.4
55.01864	4.9
55.05514	6.0
56.09093	1.0
57.03421	1.9
60.34945	1.1
63.11831	1.3
67.05511	16.6
69.03411	2.7
69.07073	8.4
69.78241	6.3
71.04995	20.3
76.54641	1.0
77.03934	1.5
79.05499	37.0
81.03428	1.6
81.07073	6.9
83.04987	10.2
85.06541	4.4
91.05484	21.9
93.06489	2.1
93.07048	35.1
95.04968	13.6
95.08599	2.0
97.06522	4.8
98.21483	2.2
99.04472	1.8
103.05448	3.6
105.04580	1.2
105.06327	1.2
105.07027	24.1
106.04187	2.3
107.04961	23.7
107.08602	47.3
109.06510	5.2
109.10143	1.4
111.04446	7.8
111.08058	1.2
115.50061	1.2
116.06264	1.6
117.07020	9.3
117.93025	1.1
119.08588	13.5
121.05666	2.2
121.06516	29.5
121.10150	30.3
123.04436	4.3
123.08073	2.7
125.06018	10.2
129.07037	6.6
130.07800	2.8
131.08572	94.5
133.10103	1.8
133.86592	1.1
135.04390	2.2
135.08054	2.5
135.11700	7.9
137.09630	2.1
137.19452	1.1
139.07549	2.8
145.06490	2.9
145.10133	46.2
145.11308	2.2
147.08041	8.4
147.11717	2.2
149.06033	7.2
149.09625	100.0
151.07483	1.4
153.05469	7.7
153.09123	3.1
155.08589	2.1
157.37227	1.4
163.07574	6.3
163.11188	34.6
165.09116	18.7
167.07033	3.5
167.10684	18.4
173.09637	10.9
173.13210	2.0
177.05475	2.8
191.10678	65.6
194.00333	2.2
209.02734	2.7
209.11737	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03940	2.8
54.46822	0.7
55.01876	5.4
55.05516	4.7
57.03424	3.0
57.07052	1.2
65.03922	1.4
67.05512	7.4
69.03432	5.6
69.07068	13.0
70.04980	0.8
70.68064	0.9
70.68390	1.9
71.04999	20.3
77.03920	1.1
79.05498	36.4
81.03416	1.3
81.07056	8.5
83.04989	6.7
83.08622	1.0
84.08114	1.0
91.05481	22.3
93.07050	31.5
95.04978	14.0
95.08623	1.6
97.06525	5.9
99.04450	2.7
103.05462	2.9
105.07038	25.1
106.04145	1.3
107.04967	14.0
107.08596	51.2
109.06530	4.1
111.04417	2.2
116.06221	2.2
117.07027	6.8
119.08563	6.8
121.06509	31.2
121.10149	25.4
123.04438	1.4
123.08052	2.0
123.11752	1.0
125.05984	6.4
125.09631	2.7
129.06995	4.6
130.07791	3.4
131.08572	100.0
134.30148	0.9
135.04408	2.7
135.08063	4.5
135.11688	3.3
137.05986	2.5
139.07523	2.3
139.11200	1.1
141.05466	2.5
143.08557	1.0
145.10129	37.9
147.08084	4.9
147.11678	3.0
149.06062	5.8
149.09624	75.4
150.10060	1.0
151.07568	1.9
153.05466	10.5
153.09106	3.1
163.11188	24.7
165.09131	2.4
166.00845	2.1
167.07079	3.7
167.10687	3.0
173.09616	3.5
174.50169	0.9
177.05479	2.5
181.04964	0.9
191.07042	1.5
191.10672	30.1
191.14328	1.6
194.00320	8.3
194.67050	0.8
200.07150	1.3
209.02733	9.7
209.04536	1.5
209.08315	2.1
209.11751	52.4
209.15331	2.7
215.79912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03945	9.5
55.01878	14.3
55.05510	1.7
57.03429	1.2
58.25976	1.4
64.32605	1.3
65.03945	11.2
67.05502	5.8
69.03414	3.0
69.67344	6.6
71.05005	1.6
75.04473	9.4
77.03920	2.6
78.04721	10.0
79.05497	9.2
81.03394	3.2
81.07043	5.0
82.04182	1.5
83.04976	3.3
83.08588	1.4
85.02882	6.6
86.09735	1.6
89.03912	6.9
89.06033	1.6
91.05485	41.5
93.02834	1.9
93.03407	25.7
93.07049	17.5
95.04973	17.6
95.08597	3.6
97.06535	10.5
99.04439	1.6
99.91241	1.1
103.05471	17.2
105.04526	3.7
105.07021	4.7
106.04181	78.9
107.04975	6.4
107.08570	4.2
108.05708	2.4
109.06526	7.5
109.10172	2.9
111.04440	2.1
111.08105	1.5
117.03378	8.4
118.04112	2.0
119.04909	4.6
119.08597	1.8
121.06512	78.0
121.10133	4.5
123.04397	3.8
123.08043	3.8
123.11719	1.1
124.05214	1.8
125.05989	18.5
125.09636	2.0
131.04918	7.3
131.05925	2.0
131.08644	1.4
133.02890	1.4
133.06427	1.5
133.10155	1.9
134.03641	12.8
135.04410	3.5
135.08035	4.0
137.05978	10.7
137.09612	1.5
138.06731	4.1
139.07553	5.2
145.02852	11.7
145.10074	2.7
147.04416	2.1
148.05167	9.5
149.05989	100.0
149.09592	3.7
149.13164	1.8
151.03923	2.0
151.07533	3.8
151.11171	3.2
152.08183	3.2
153.05510	6.3
153.09109	22.9
159.04387	2.8
162.03168	1.7
163.03873	2.5
163.07538	5.1
163.11136	1.5
165.12761	1.2
166.06306	3.3
167.06982	1.7
176.04636	2.6
177.05481	57.6
178.06161	1.3
180.07753	1.8
181.08594	18.3
182.45506	1.3
191.07047	7.6
191.10648	1.9
191.14296	4.6
194.02092	3.0
194.05798	2.0
209.04439	3.3
209.08070	23.4
209.10208	5.2
209.13571	1.5
209.15306	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.42722	1.0
52.74693	1.0
53.03949	10.4
55.01875	16.4
57.03432	1.8
65.03934	10.4
67.05499	4.2
69.31137	3.0
69.31549	6.8
71.04997	2.0
71.36436	1.1
74.26598	1.0
74.56445	1.2
75.04488	7.8
77.03912	1.3
78.04715	10.6
79.05505	8.3
81.07043	3.0
82.04198	1.2
85.02898	7.3
85.06535	1.3
89.03910	4.4
89.06019	2.3
91.05486	40.5
93.03411	26.1
93.07043	21.0
93.19533	1.2
95.04981	15.2
95.08588	2.4
97.06003	1.3
97.06522	7.6
98.21610	1.7
99.04449	1.7
103.05479	18.8
105.03400	2.1
105.04509	4.1
105.07017	3.4
106.04173	71.8
107.04955	5.1
107.08591	2.1
108.05721	1.9
109.06518	5.7
110.03683	1.4
111.04440	2.6
111.08102	1.2
117.03365	8.4
118.04163	1.4
119.04940	5.1
119.08567	1.7
120.05738	2.2
121.06507	78.0
121.10136	2.1
122.07336	1.2
123.04449	2.4
123.08088	2.4
124.05185	1.3
125.06001	15.6
131.04942	8.0
131.05817	1.3
131.08589	1.3
133.02856	1.4
133.06459	1.8
133.10107	2.1
134.03625	14.3
135.04430	1.8
135.08040	2.3
135.11664	1.6
137.05978	11.1
138.06750	2.6
139.07544	5.6
145.02867	5.6
145.10150	1.3
147.04408	2.5
148.05206	8.0
149.05984	100.0
149.13243	2.8
150.34886	1.1
151.03891	2.3
151.07587	4.4
152.08188	2.8
153.05437	7.7
153.07918	1.7
153.09108	22.0
159.04370	2.3
163.03903	1.7
163.07530	7.2
163.11200	1.5
165.05518	1.2
166.06256	3.2
167.06892	1.5
176.04724	1.8
177.05478	50.3
181.08598	22.3
181.10043	2.1
191.07059	9.6
191.14281	1.9
193.42711	1.1
194.02103	1.3
194.09006	1.1
209.04309	1.2
209.08142	28.8
209.10226	4.9
209.15268	5.6
216.30380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03949	7.5
55.01877	20.4
55.05509	2.1
59.08305	1.3
65.03942	9.4
67.05503	5.4
69.03429	2.4
69.07059	2.4
69.67493	8.3
71.04991	1.5
75.04478	10.0
75.83754	1.3
77.03915	2.7
78.04710	10.6
79.05497	7.2
81.03413	2.7
81.07056	3.0
85.02901	8.5
86.09688	1.7
89.03928	6.3
89.06042	2.8
89.06784	1.4
91.05486	43.3
93.03408	29.4
93.07051	20.9
95.04962	14.7
95.08640	1.6
97.06538	9.7
98.20741	1.9
99.04429	1.2
103.05475	19.8
105.03394	2.4
105.04495	3.3
105.07071	3.8
106.04179	78.3
107.04955	6.5
107.08578	1.9
108.05759	1.6
109.06514	5.0
110.03628	2.0
111.04421	2.5
111.08050	1.5
117.03379	5.7
118.04158	2.4
119.04921	5.5
120.05751	2.3
121.02894	1.6
121.06509	78.7
121.10148	1.7
122.07314	1.3
123.04425	5.0
123.08120	1.9
125.05999	16.6
131.04916	7.5
131.08519	1.6
133.02858	2.4
133.06528	1.6
134.03621	15.4
135.04417	3.1
135.08112	1.9
137.05965	13.1
138.06776	4.9
139.07559	5.4
145.02832	6.1
147.04413	2.0
148.05186	9.0
149.05983	100.0
149.09637	2.4
151.03893	1.4
151.07558	4.3
152.08212	3.1
153.05446	4.6
153.09090	18.9
159.04454	3.1
163.03862	1.6
163.07559	6.8
165.05409	1.8
166.06239	4.0
167.07001	1.8
177.05475	48.2
181.08612	22.2
186.56845	1.9
190.06642	1.2
191.06999	9.1
194.02065	1.3
209.04591	1.7
209.08144	25.7
209.10123	1.5
209.15372	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02375	1.7
52.67947	0.9
53.03952	8.8
55.01876	35.1
55.05508	1.3
57.03423	2.1
63.92237	1.2
65.03941	11.2
66.50532	1.0
67.05502	4.0
69.03421	1.0
70.49301	1.9
70.49639	1.3
71.04979	1.9
75.04496	8.2
77.03929	2.2
78.04714	11.4
79.05503	8.5
81.07045	1.5
82.04187	1.4
83.01328	1.2
83.04968	1.2
83.08627	1.1
85.02908	7.5
89.03929	6.2
89.06036	1.9
91.05489	46.9
92.06281	1.1
93.03413	27.0
93.07053	19.4
95.04971	15.3
95.08640	1.8
97.06555	7.4
103.04805	1.6
103.05474	25.7
105.03377	2.5
105.04514	4.2
105.07038	2.8
106.04179	74.5
107.04950	7.7
107.08598	2.3
108.05740	1.2
109.06512	4.3
111.04433	2.3
116.91131	1.0
117.03392	8.1
118.04190	2.9
119.04957	6.5
119.08505	1.0
120.05735	2.4
121.06513	78.3
121.10155	1.6
122.03699	1.2
122.07287	1.2
123.04430	2.9
123.08062	2.9
124.05235	1.1
125.06001	20.3
125.09659	2.3
125.87959	1.0
130.04178	1.6
131.04947	9.4
133.02840	2.5
133.06471	2.2
134.03639	13.8
135.04414	3.6
135.08067	2.1
137.05984	13.0
138.03111	1.2
138.06773	3.8
139.07587	5.7
145.02846	14.7
147.04404	6.0
148.05225	7.9
149.05989	100.0
149.13347	1.4
151.03918	3.7
151.07549	3.8
153.05478	7.8
153.09109	17.9
159.04372	1.9
159.05563	1.4
162.03099	1.3
163.03920	3.0
163.07527	7.5
163.11191	2.1
163.14769	1.3
165.05501	2.5
166.06294	5.1
167.07028	2.2
176.04691	2.8
177.05484	60.6
181.05058	1.2
181.08591	23.2
191.07036	17.6
191.14276	1.9
193.04977	1.8
194.02129	2.9
194.05746	1.7
209.04555	4.0
209.08110	38.6
209.10182	2.4
209.15430	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	208.097
Annotation	Streptazolin
Peak:m/z	Relative Intensity
58.77313	0.2
65.03937	0.4
69.83298	0.7
75.29324	0.2
86.09722	0.3
91.05480	5.7
98.21423	0.2
106.76527	0.2
119.04944	19.0
120.05285	0.2
126.28345	0.2
130.60727	0.2
137.05940	0.2
146.06033	0.2
147.04413	100.0
148.04713	0.5
149.05975	0.2
190.08670	0.4
203.13326	0.2
208.09645	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03959	7.2
55.01878	16.7
55.05518	8.1
56.96584	1.5
57.03437	2.0
57.07062	1.3
57.07888	0.8
60.61602	1.1
61.72360	0.9
65.03944	5.3
67.05518	4.7
69.03434	3.5
69.07053	3.3
69.40581	3.3
69.41007	4.0
70.06598	1.6
71.04996	2.9
71.76096	1.0
71.99401	0.9
74.22955	0.9
75.04467	2.6
77.03928	3.1
78.04710	6.1
79.05492	11.0
81.03416	1.5
81.07063	4.7
83.04994	4.4
83.08614	3.2
84.04502	1.3
84.08160	2.3
85.02921	3.6
85.06534	1.4
86.09704	1.8
89.03911	5.5
89.06022	1.2
91.05489	42.8
93.02886	1.6
93.03419	11.3
93.07048	26.3
95.04977	12.5
95.08607	3.6
97.06538	6.7
99.04466	2.2
102.04623	1.3
103.05476	27.1
105.03429	1.2
105.04508	3.7
105.07025	6.3
106.04180	32.6
106.04883	2.0
107.04977	8.6
107.08604	10.9
109.06504	8.2
109.10179	3.6
111.08107	1.6
117.03407	6.7
118.04167	1.5
119.04950	3.6
119.08581	1.4
120.05783	1.4
121.06512	77.6
121.10126	6.0
123.04474	1.6
123.08118	3.2
123.11774	1.5
124.05158	1.1
125.06017	10.4
125.09640	6.4
127.19352	1.0
131.04948	12.5
131.05954	1.7
131.06978	1.4
131.08557	11.5
133.02882	3.2
133.10149	3.4
134.03673	9.3
135.04445	4.0
135.08084	3.8
135.11700	1.7
137.05966	5.6
138.06801	1.5
139.07568	3.8
145.02829	8.1
145.10146	5.1
147.04405	2.9
147.11668	1.3
148.05214	7.7
149.05992	100.0
149.09610	10.0
149.13287	2.5
151.03975	1.3
151.07515	2.5
151.11198	3.3
152.08273	2.9
153.05513	5.4
153.09138	9.9
159.04401	6.1
162.03127	2.5
163.03963	2.1
163.07585	4.0
163.11232	4.1
163.14803	1.5
165.05447	1.5
165.12827	1.1
166.00847	1.6
166.06311	4.0
167.07018	2.7
173.13319	2.6
176.04733	2.8
177.05481	77.8
180.07880	2.5
181.08626	22.2
185.03082	1.6
191.07045	8.7
191.10724	3.8
191.14343	8.1
194.00409	5.6
194.05779	1.7
203.04086	3.3
209.02788	5.6
209.08138	36.4
209.10109	2.1
209.11890	6.7
209.15422	12.4
228.63496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.3
55.05501	5.2
57.07070	5.1
59.05013	1.4
60.44419	0.7
65.03931	1.4
67.05508	25.3
69.03433	3.0
69.07069	2.5
69.54592	4.7
71.04981	1.8
79.05487	3.0
81.07057	5.2
83.04987	2.2
85.06552	11.1
91.05473	7.1
93.07052	12.6
95.04987	3.5
95.08609	100.0
97.06505	1.0
98.21555	0.8
105.07034	11.7
107.04985	0.8
107.08595	16.9
109.06513	3.7
109.10162	1.9
111.08073	1.4
113.06008	6.0
116.06227	1.0
117.07080	1.0
117.35017	0.7
119.08582	21.3
121.06516	2.1
121.08472	0.7
121.10143	12.2
123.08070	48.2
123.11726	4.7
129.06975	0.9
131.08586	4.5
132.09395	1.0
133.06496	2.2
133.10164	4.9
135.08055	1.7
135.11693	6.0
137.09634	3.5
137.13237	1.7
139.07570	1.0
143.08615	0.9
145.10106	1.2
147.08067	4.3
147.11693	11.5
149.09619	44.2
151.07581	1.6
151.14812	2.8
156.09372	1.8
159.08035	1.4
160.08830	1.2
161.09644	3.9
161.13261	14.6
163.11172	2.0
165.09129	1.9
165.12738	10.5
171.11678	3.2
174.10397	2.0
179.10828	0.8
179.14313	2.3
189.09068	0.8
189.12733	16.9
207.13805	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02382	0.8
53.03949	7.3
55.01873	2.7
55.05516	5.8
56.84321	0.6
56.96572	1.4
57.03440	1.1
59.46475	0.7
65.03946	1.5
67.05508	20.7
69.03432	4.7
69.07072	5.6
69.85867	3.8
71.04995	2.7
77.03918	1.3
79.05496	41.5
81.03404	2.1
81.07057	19.7
83.04987	4.0
83.08628	2.9
85.02908	1.7
85.06541	2.3
87.04468	0.9
91.05483	46.1
93.07046	100.0
95.04972	9.2
95.08614	8.6
97.06523	1.2
97.10171	1.0
99.04459	1.4
105.04519	3.1
105.07034	19.3
107.08598	9.0
109.06507	4.2
111.04449	0.9
111.08096	1.0
115.96436	2.6
117.07017	3.3
119.04950	4.6
119.08586	11.8
121.06503	2.2
121.10136	2.7
123.08073	4.9
127.07566	1.1
128.06195	1.6
129.05487	2.1
129.07002	7.7
129.49768	0.8
131.08519	1.5
133.10127	4.8
135.11691	0.8
136.05249	0.9
137.09680	1.0
139.07565	0.8
141.09137	0.8
143.03572	0.8
143.08546	4.3
145.10115	6.9
147.04417	2.9
147.08063	1.8
147.11693	47.8
149.02333	2.8
149.09596	1.1
149.49226	0.8
151.07555	2.6
156.09315	0.9
161.02971	1.7
161.09601	3.7
161.13260	7.6
163.03932	0.9
163.11290	1.0
164.04651	3.1
171.11688	19.4
172.73586	0.8
174.03094	0.8
179.07022	3.2
179.10463	0.7
184.04597	1.3
189.07558	0.8
189.09109	1.2
189.12740	10.6
189.16389	1.0
192.04147	1.2
207.06516	11.7
207.13792	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03937	0.9
55.01884	0.7
55.05524	4.7
57.03427	0.7
57.07088	4.1
59.05008	1.4
65.03939	0.8
65.37968	0.6
67.05513	26.2
69.03438	3.6
69.07073	1.7
69.61455	2.2
69.61884	1.9
70.32905	0.5
71.05004	1.8
72.68186	0.6
79.05482	3.5
81.07069	4.9
83.04984	2.4
85.06556	9.9
87.59557	0.5
89.48402	0.6
90.21746	0.7
91.05490	6.6
93.07055	10.8
95.04980	3.4
95.08619	100.0
97.06559	1.5
102.41974	0.6
105.06396	1.1
105.07044	12.4
107.04971	1.0
107.08609	14.7
109.06525	3.3
109.10168	2.4
111.08097	1.5
113.06016	5.9
116.06267	0.8
117.07047	1.2
119.04958	0.8
119.08600	21.7
119.09468	1.1
120.09351	0.9
121.06509	2.7
121.10159	14.0
123.08083	47.7
123.11702	4.4
125.09641	0.9
127.07555	0.6
128.06229	0.7
129.07022	1.1
131.08588	4.5
133.06497	1.0
133.10133	4.1
135.08092	0.9
135.11684	5.1
137.09645	4.4
137.13257	1.0
139.07567	0.9
143.08549	0.8
145.10109	1.0
147.08087	5.5
147.11694	9.0
149.09641	39.5
151.07570	1.7
151.14868	3.1
156.09357	1.9
159.08124	1.2
159.11737	0.8
160.08966	1.0
161.09688	2.9
161.13283	14.3
163.11201	2.0
165.09103	1.7
165.12782	9.7
171.11746	2.9
174.10387	2.7
179.14320	2.2
189.12776	14.6
207.10426	1.0
207.11909	1.3
207.13837	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02370	1.4
53.03951	7.9
55.01856	2.6
55.05513	7.9
56.96575	2.0
57.03421	1.0
61.17564	1.0
62.93277	1.0
63.68226	0.9
65.03918	2.5
66.97218	0.9
67.05508	27.6
69.03413	3.7
69.07072	6.8
69.47138	6.2
71.04980	2.8
73.06548	1.9
75.73438	0.8
77.03919	2.3
79.05495	50.3
81.03394	3.2
81.06599	1.3
81.07059	22.8
81.91064	0.9
83.04967	4.3
83.08614	3.6
84.84755	0.9
85.02898	1.5
85.06531	2.7
86.54210	0.9
87.04446	1.5
91.05482	47.4
93.07047	100.0
95.04967	10.9
95.08602	11.6
96.14169	0.9
97.06539	2.4
97.10180	1.6
99.04451	1.1
105.04490	3.6
105.07037	25.3
107.04951	1.1
107.08594	10.8
109.06523	5.6
109.10138	1.6
111.08015	1.3
115.05469	1.5
115.96440	1.7
117.07038	5.6
119.08582	15.6
121.06526	1.7
121.10126	3.0
123.08086	4.8
127.07555	2.7
129.07011	10.8
131.08553	1.5
133.10158	5.7
135.08092	1.1
135.11697	1.5
137.09544	0.8
143.08543	6.6
144.02525	0.9
145.10133	9.3
146.27637	0.9
147.04413	1.7
147.07997	1.4
147.11690	53.5
151.07613	1.1
161.09605	4.0
161.13292	9.2
164.04630	1.2
171.11687	23.7
179.07069	1.4
179.14279	1.0
189.12749	12.3
207.06479	6.9
207.13800	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	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91386	1.4
53.03954	1.9
55.01870	6.8
55.05526	8.1
56.05042	11.1
56.96566	11.2
57.03447	8.3
57.03674	1.5
58.06601	11.9
58.99863	3.7
59.04989	2.6
59.07392	1.8
60.04531	8.7
60.05642	3.9
60.08157	3.6
61.01147	6.8
61.02924	4.2
63.00738	1.6
63.86258	1.7
67.05496	4.8
69.03430	11.7
69.07079	11.3
70.06596	36.6
70.11179	6.5
71.04993	2.4
71.06925	1.4
71.94111	3.2
72.04530	3.1
72.08167	22.2
72.93739	1.5
73.02917	10.1
73.08484	2.2
74.02422	2.7
74.06062	8.9
75.04397	1.7
78.95276	3.8
79.05515	1.9
79.95570	1.6
80.94958	3.8
81.03427	8.0
81.07041	1.9
82.01474	1.4
82.06580	2.6
82.99847	4.3
83.04951	2.1
83.06098	3.8
84.04510	13.6
84.08147	55.9
85.02905	13.6
85.08505	2.4
86.06060	2.7
86.09708	52.5
88.03988	6.5
90.05553	5.6
91.05477	7.1
93.07077	2.4
95.04955	2.5
95.06090	2.7
95.08600	1.8
97.02877	15.4
98.06055	6.4
98.09684	4.5
98.97597	9.0
99.04441	3.0
100.02498	2.7
100.07626	2.8
101.00896	30.5
101.02526	2.5
101.69724	1.8
102.01009	2.0
102.05566	1.9
103.00642	3.8
103.05475	2.8
107.04956	6.0
109.02853	3.4
110.06071	2.1
110.06329	1.5
110.07162	26.0
112.05092	6.0
112.07626	4.5
112.08729	3.1
113.00868	2.6
113.02400	10.5
113.07146	2.0
115.02402	3.1
115.08680	2.5
115.96685	3.5
116.07063	2.9
116.10737	1.9
116.98626	3.7
119.01927	64.3
119.04936	4.6
119.97885	2.7
120.02027	5.7
120.08118	4.3
120.98236	4.3
121.01641	4.8
121.06595	1.9
121.07613	2.0
121.08451	3.1
121.97584	6.0
122.02048	2.0
122.07121	2.1
122.08443	2.3
122.94174	2.6
123.04423	3.2
124.02452	8.9
124.07610	2.5
124.93892	2.7
127.03955	4.0
128.02371	4.1
128.07100	2.9
128.10765	1.9
129.05449	2.5
129.10243	13.5
130.08603	1.9
131.01900	9.3
131.96167	2.9
132.01987	4.2
132.95883	2.2
133.01701	2.3
133.03391	3.9
133.07600	2.3
134.03589	4.8
135.88623	1.7
136.06184	31.5
136.07559	4.0
137.02940	13.4
137.06003	5.8
138.06615	2.1
139.02652	1.9
140.07069	2.8
140.95232	3.9
142.03505	100.0
142.94975	1.8
143.01912	5.8
144.06560	6.7
144.10225	4.1
145.01633	2.5
145.03455	4.6
145.97607	2.1
147.03217	2.7
147.04366	1.9
149.05980	2.2
149.97203	2.6
150.02716	2.8
150.96974	2.1
151.03822	2.6
155.01891	2.9
155.03665	7.3
156.00200	2.6
156.07718	6.5
156.97441	2.9
157.03459	2.9
158.03474	1.9
158.96309	2.3
158.99635	2.0
160.04539	24.9
160.07703	3.9
160.09705	2.6
160.13353	19.8
160.95956	1.9
161.02960	15.8
161.05917	2.2
162.03152	3.1
163.96930	1.6
163.97411	1.7
163.98743	13.7
164.03235	2.6
164.07088	1.9
164.97220	5.8
165.05183	5.8
165.96561	5.3
166.09818	5.6
167.07079	4.1
170.08025	3.4
171.01347	11.3
173.03102	2.5
173.04755	2.9
174.03964	2.2
175.02893	2.0
175.11845	2.2
176.98024	3.0
177.00743	1.8
177.07854	3.6
178.03288	1.8
178.05013	4.5
178.09810	3.5
180.97487	2.0
181.97917	2.7
182.98222	3.9
182.99632	4.3
183.01375	2.8
183.03085	1.9
183.06468	3.2
183.14981	2.6
183.97618	7.2
184.04518	9.9
184.15767	3.5
185.03017	2.1
188.07181	1.5
188.09160	7.4
188.10619	1.9
188.12880	2.5
191.02408	2.1
191.14273	2.9
193.10838	18.4
194.09282	1.9
195.05064	2.1
195.08784	1.9
201.00662	6.4
201.02475	8.7
201.04240	2.8
203.04144	1.8
205.99918	4.9
206.04794	3.0
206.08173	11.2
206.10155	6.4
206.12053	17.8
206.15291	47.0
206.65398	3.1
215.04265	3.5
219.01743	3.1
221.05103	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03960	1.2
55.01875	0.7
55.05515	8.6
56.96567	1.5
57.07077	12.2
58.06581	0.7
59.66411	0.6
60.04532	1.9
61.02959	0.6
61.04856	1.1
62.57984	0.6
62.65215	0.5
63.59573	0.5
63.83161	0.8
65.03950	4.5
67.05176	0.8
67.05511	8.8
69.03435	2.0
69.06688	0.8
69.07072	13.8
69.85786	2.9
71.08637	1.2
75.75684	0.5
79.05496	9.6
81.03432	3.0
81.07063	45.4
83.08632	5.4
84.04514	0.8
84.10164	0.6
84.99424	0.6
85.02905	2.2
85.04840	1.1
91.05473	5.9
93.03389	1.1
93.07050	43.6
93.30447	0.5
95.04990	0.9
95.08613	28.6
97.02897	11.2
97.04860	0.8
97.10180	4.6
99.04461	2.1
101.00925	0.6
105.07042	4.8
107.08604	29.5
108.04505	0.7
109.02885	8.0
109.06506	0.7
109.10170	23.6
111.04472	1.0
111.11728	1.6
113.96398	0.6
119.06069	0.7
119.08587	1.4
121.02882	9.5
121.03977	1.9
121.10151	100.0
123.11713	11.3
127.03941	3.1
127.05828	1.4
135.11702	20.4
135.12733	1.2
137.13235	1.3
145.02858	1.2
145.04916	0.7
149.02353	84.2
149.13268	38.9
160.07590	0.7
163.02745	1.0
163.07666	0.7
163.14856	3.6
167.03445	1.2
181.03831	0.8
190.04956	1.0
205.05049	3.5
205.06763	1.5
205.08833	1.8
205.12239	1.3
205.14111	1.4
205.15865	1.3
205.19537	29.8
206.19991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.045
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
53.03964	0.2
55.01886	0.3
55.05512	0.6
56.05048	1.0
56.96568	2.7
57.03457	0.3
58.06603	1.1
60.04534	1.3
60.05664	0.3
60.08171	0.5
61.02921	0.3
65.03955	0.3
67.05519	0.7
69.03459	0.9
69.07085	0.8
70.02990	0.2
70.06592	3.9
71.04985	0.2
71.06933	0.2
71.50652	0.3
72.08167	2.1
73.02927	1.3
73.06559	0.2
74.06098	0.5
79.05512	0.5
80.94975	0.4
81.03427	1.0
81.07056	0.2
82.06604	0.6
83.06113	0.3
84.04491	1.5
84.08147	7.7
84.08627	0.5
84.96020	0.5
85.02913	1.6
85.08492	0.8
85.12536	0.2
86.09704	4.3
86.60245	0.2
87.71764	0.2
88.04008	1.6
91.05476	1.2
95.05009	0.4
95.06124	0.3
95.53193	0.2
97.02911	1.7
98.06047	0.3
98.97596	2.4
99.04489	0.4
100.07647	0.2
100.59208	0.6
103.05514	0.5
104.05866	0.3
105.03430	1.0
105.07114	0.3
106.31417	0.3
107.04971	0.5
108.04525	0.4
109.02888	0.3
110.01262	0.3
110.06077	0.3
110.07162	2.6
110.97578	0.8
111.04462	0.4
116.05268	0.4
116.46534	0.2
116.98655	1.0
117.03743	0.5
117.05743	0.3
117.10266	0.4
119.01913	0.4
119.04944	0.4
119.97936	0.3
120.08121	1.9
120.98251	0.3
121.02880	1.0
121.08429	1.3
121.97595	0.5
123.04457	0.6
124.99170	0.2
127.03937	0.6
128.02298	0.5
128.98607	1.2
129.10243	2.0
130.08665	0.6
130.10597	0.3
132.04472	2.1
132.08124	0.4
132.95857	0.5
133.02864	1.3
133.61520	0.5
134.06018	0.3
134.99670	0.6
135.04414	0.4
136.07565	1.2
137.03018	0.3
137.05998	0.9
139.03961	0.4
142.03510	0.8
144.06517	0.5
144.10216	0.6
146.05988	0.5
146.99640	0.7
147.04367	0.2
149.02374	0.5
150.02681	0.9
150.03751	0.4
150.05540	1.7
151.03911	3.5
151.97684	0.3
152.04251	0.3
155.00108	0.3
156.07692	0.4
158.99677	0.6
160.03888	1.4
160.07536	0.6
160.09547	0.3
160.11246	0.3
161.01155	0.4
161.05951	0.3
162.05475	0.3
163.06351	0.3
164.07051	0.5
164.97192	0.3
165.96523	0.4
165.99286	0.3
169.04944	0.7
169.09843	0.3
170.99693	0.5
171.03069	0.3
171.06467	0.3
173.01234	0.7
175.11977	0.3
176.07027	0.3
177.00737	0.4
177.07869	0.8
178.04996	100.0
179.05350	0.5
181.04938	0.2
182.98242	0.4
182.99695	0.8
183.14894	0.6
183.97574	0.6
185.02826	0.5
188.03363	0.4
188.07140	0.5
188.09161	0.4
188.10742	0.4
191.09424	0.4
191.14273	1.1
193.10822	0.7
193.98689	0.3
194.03406	0.7
201.00714	1.8
203.03835	0.2
206.04485	49.0
206.08150	2.3
206.11774	5.6
206.15163	3.4
206.65491	0.4
209.10387	0.4
209.98372	0.4
219.01726	0.7
227.99426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67575	0.4
55.43723	0.4
67.79462	0.4
69.70494	2.1
74.02452	1.6
74.63667	0.4
91.05470	1.0
115.05443	2.0
117.05739	0.8
117.07031	2.3
118.06549	33.7
120.66565	0.5
130.06543	2.4
132.08102	9.8
142.06523	3.7
142.07564	0.6
143.07312	5.0
144.04515	0.7
144.08092	20.5
146.06018	96.1
155.06003	0.8
159.09189	10.3
160.07597	1.2
163.49222	0.4
170.06041	6.7
188.07079	100.0
189.07381	0.5
204.30696	0.4
205.09737	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01880	0.7
55.05513	14.0
56.96560	1.7
57.03444	0.9
57.07077	4.0
59.05002	1.9
59.10936	0.6
60.04530	2.1
65.03938	2.5
65.13960	0.6
67.05506	45.0
68.12396	0.5
69.03430	3.9
69.07070	3.2
70.04312	2.5
70.06588	1.1
71.04991	1.9
72.08155	1.2
73.06552	1.1
74.92521	0.7
78.95266	0.5
79.05495	5.5
81.03420	3.1
81.07058	100.0
81.38174	0.6
83.05001	1.1
83.08633	4.1
84.08146	2.4
85.02897	3.4
85.06545	2.7
86.09711	0.7
89.57257	0.6
91.05472	4.9
93.07050	2.4
95.04978	1.2
95.08604	3.6
97.02904	7.6
97.10188	2.1
98.21452	0.9
98.97580	1.2
99.04460	1.9
103.05473	2.9
105.07039	2.9
105.83082	0.5
107.04955	0.6
107.08616	2.4
109.02877	5.4
109.06525	0.6
109.10157	1.1
110.07175	0.7
115.05462	9.2
116.98632	0.7
117.07023	12.3
118.06538	5.4
119.04949	0.7
119.08618	1.6
119.97868	0.8
120.08118	2.4
121.02888	2.9
121.03856	0.5
121.06503	3.0
121.10153	1.0
123.11710	64.0
127.03891	2.7
129.07036	0.6
129.10265	0.8
130.04158	0.9
130.07750	0.9
131.04959	1.3
131.08562	7.3
132.08133	1.0
133.10141	1.9
135.08096	0.9
135.11720	0.7
137.06003	1.0
139.03964	0.6
141.12741	19.6
143.05013	0.6
144.08122	2.2
145.02837	3.5
145.06493	14.5
145.10126	8.3
146.06020	10.6
147.04416	1.4
147.08022	1.0
147.11678	1.1
149.02345	21.1
149.03513	1.2
149.06010	1.5
149.09625	0.7
151.11206	0.7
155.06047	3.5
158.99594	0.6
159.04463	0.7
159.08063	1.0
159.09254	1.0
159.11740	2.7
159.13791	4.5
160.02318	0.6
161.05995	2.6
161.09727	0.7
163.07556	1.1
163.08765	1.3
163.11177	1.3
163.96820	0.9
173.05984	11.6
175.03889	0.8
175.07574	0.9
177.05502	0.9
177.09105	1.7
177.12708	2.7
181.97903	1.5
187.06055	0.7
187.07623	1.8
187.11243	0.9
188.07063	11.5
190.06302	2.3
194.07045	1.1
205.04964	11.5
205.06659	1.2
205.08597	6.8
205.12209	7.6
205.14049	0.9
205.15929	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03935	0.7
55.01870	0.6
55.05505	2.1
56.96560	0.9
57.07079	10.0
60.04514	1.4
61.02922	0.3
62.44052	0.3
64.76476	0.3
65.03945	4.7
67.05510	2.2
69.03420	0.9
69.07071	3.8
69.47763	1.2
69.48194	1.3
79.05497	2.1
81.03439	1.9
81.07061	12.5
83.08608	1.6
85.02888	1.5
85.04836	0.4
87.04448	0.4
91.05474	1.5
93.03387	1.6
93.07048	12.0
95.08604	6.0
97.02895	4.9
97.10156	1.4
99.04456	1.1
99.51164	0.5
102.02213	0.3
105.07031	1.3
107.08601	7.0
109.02888	3.9
109.10167	5.6
110.51955	0.4
111.01938	0.6
111.04452	0.8
111.11758	0.4
113.96375	0.5
117.06993	0.4
119.08594	0.7
121.02866	11.5
121.03973	2.5
121.06497	0.5
121.10149	23.6
123.11710	3.9
127.03926	1.5
127.05896	0.6
129.81978	0.3
131.08580	0.4
134.05968	0.3
135.11702	4.4
145.02921	0.9
145.06447	0.4
145.10184	0.5
147.11621	0.4
149.02350	100.0
149.13263	9.6
150.02675	0.6
152.05847	0.6
152.55742	0.5
160.07666	0.4
161.13258	0.4
163.02824	0.8
163.14861	0.8
163.56720	0.5
167.03383	1.0
177.12740	0.5
190.04944	1.7
191.14424	0.4
193.09766	0.8
193.59549	0.3
205.05019	2.0
205.06807	0.7
205.08571	0.6
205.12221	0.8
205.14212	1.0
205.15991	0.6
205.19542	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	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03932	1.1
55.05510	6.2
57.07060	0.9
67.05504	15.9
69.07077	7.5
69.10146	0.8
71.02879	1.1
72.08151	1.0
76.57987	0.8
79.05486	5.6
81.07057	28.9
83.08620	1.9
84.14064	0.8
91.05484	8.6
93.06486	1.1
93.07043	14.4
95.08611	51.5
97.10156	1.1
105.07040	34.5
106.32626	0.8
107.08593	31.2
109.10156	40.0
115.05466	0.8
116.64174	0.7
117.07008	1.6
118.86639	0.8
119.08582	26.4
121.10149	13.1
123.11727	5.0
131.08557	1.2
133.10132	24.6
135.11676	2.8
145.10127	3.7
147.11688	44.9
147.82886	0.9
149.82520	0.7
159.11722	1.4
160.12502	0.8
161.13249	15.3
175.07629	1.2
175.14778	7.1
181.40633	0.8
203.07047	1.5
203.17961	100.0
204.18289	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03946	0.9
55.05512	6.2
57.07090	0.8
57.86293	0.5
65.03934	0.6
67.05505	18.4
69.07066	6.2
70.56119	1.5
72.08151	0.8
79.05492	6.6
81.07058	37.3
83.08603	1.8
84.08151	0.8
91.05478	8.6
93.07048	18.0
95.08607	59.4
96.36900	0.5
97.10150	1.9
105.07031	33.4
107.08595	31.9
107.09181	0.3
109.06483	0.7
109.10158	39.7
117.07011	0.9
119.08584	29.8
120.43999	0.5
121.10142	13.9
123.11713	6.0
129.23401	0.5
131.08577	2.5
133.06470	0.6
133.09122	1.2
133.10133	20.9
135.11691	4.2
145.10078	3.1
146.10930	0.9
147.07985	0.9
147.11688	46.2
159.11674	2.1
160.05225	0.6
160.12506	0.8
161.09608	0.6
161.13266	15.1
170.10934	0.5
175.07512	1.4
175.14828	7.3
203.06961	2.1
203.14281	2.8
203.17957	100.0
204.18246	1.0
214.42699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.38805	0.6
53.03936	0.8
55.05513	4.9
57.07051	0.7
58.17075	0.7
60.04521	1.1
67.05504	15.1
69.07066	5.4
69.90948	2.7
72.08148	0.9
75.42600	0.6
79.05496	6.8
81.07056	35.2
83.08606	2.4
86.09706	0.8
89.87659	0.6
91.05476	8.8
93.06488	1.2
93.07043	15.2
95.08606	54.7
97.10153	0.9
100.52525	0.6
105.07032	30.0
107.08595	33.5
109.06532	0.6
109.10154	37.8
115.05417	1.1
117.07009	1.7
119.08578	30.0
121.10146	12.5
123.11713	6.2
128.01115	0.5
129.06934	0.7
131.08606	1.3
131.22359	0.6
133.09119	1.1
133.10130	19.3
135.11699	3.4
145.06456	0.8
145.10109	1.6
147.11688	41.5
151.18568	0.6
159.11670	1.9
160.05168	1.9
161.13257	12.5
175.07529	2.5
175.14816	7.9
188.04723	1.2
203.06891	4.0
203.17953	100.0
204.18219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01869	0.9
55.05496	0.7
56.05030	1.6
60.04533	4.1
61.02929	2.0
65.28838	0.4
67.05513	0.6
68.05042	1.0
69.03100	0.5
69.03429	3.6
69.83674	0.4
70.06589	1.4
71.02580	0.6
71.02921	0.8
71.04999	0.8
72.04515	0.9
74.18775	0.4
80.05014	1.7
80.59046	0.4
81.03432	4.6
81.07044	0.5
82.06596	0.6
83.01347	1.3
83.04994	0.7
84.04510	15.6
85.02895	0.6
85.73418	0.4
96.04498	22.5
96.05120	1.1
96.08931	0.8
97.02898	6.5
98.06057	11.5
99.04460	2.7
101.02384	0.5
106.07374	0.4
107.08613	0.5
108.04475	0.9
109.02883	6.1
109.10114	0.7
110.10513	0.6
114.05546	1.3
119.08544	0.5
120.08941	0.4
124.03954	0.8
126.05526	29.0
127.03934	2.6
138.05510	100.0
139.05815	0.6
144.06564	26.0
148.12053	1.1
168.06577	12.8
168.08000	0.9
181.79951	0.4
186.07593	6.0
204.08691	4.5
204.13809	1.1
204.18329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
63.19754	0.5
69.89322	1.8
74.02441	2.0
91.05486	1.5
98.21530	0.6
115.05466	1.9
117.05726	1.9
117.07033	2.3
118.06544	39.5
130.06529	3.2
132.08092	11.3
132.09029	0.9
142.06520	3.9
143.07318	6.0
144.04391	0.8
144.08087	21.2
146.06009	100.0
155.06041	0.7
159.09181	10.8
160.07620	1.5
170.06004	8.1
186.04306	0.5
188.07063	94.7
189.07431	0.8
205.09668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.70197	0.6
53.03938	0.9
55.01862	1.6
55.05516	3.7
57.07063	1.3
60.04521	2.0
65.03925	1.1
67.05508	14.9
69.07072	6.3
70.64401	1.9
72.08128	1.1
79.05495	5.0
81.07058	31.1
83.08638	1.8
91.05482	8.9
93.07050	13.5
93.76465	0.8
95.08613	49.9
97.10197	1.2
100.30444	0.7
101.89436	0.7
105.07043	28.9
107.08598	25.1
109.10163	34.2
115.05463	0.9
117.06986	0.8
119.08588	28.1
121.09330	1.4
121.10149	12.8
123.11727	5.9
131.08607	1.5
133.10138	24.2
135.11720	2.7
143.48607	0.8
145.10100	2.5
147.11693	40.2
148.12474	0.8
157.06473	0.7
159.11720	1.5
160.05148	0.9
160.12454	1.4
161.13266	15.9
172.05209	1.0
175.07523	2.4
175.14787	6.2
191.42473	0.7
198.58450	0.7
203.07019	4.8
203.17964	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03958	1.0
55.05262	1.0
55.05510	8.7
57.07068	2.8
58.75639	0.7
60.04511	2.5
66.54382	0.6
67.05504	10.0
69.07073	10.6
69.78574	2.4
79.05480	3.7
81.07063	11.2
83.08620	3.4
84.04525	1.2
90.20220	0.6
91.05481	9.4
93.07059	8.1
95.08611	29.0
97.10175	1.6
105.07037	35.1
106.27210	0.6
107.08601	16.6
109.10161	20.4
110.05578	0.6
117.07014	1.8
119.08589	39.7
121.10152	11.6
123.11745	3.4
131.08586	4.1
133.10135	60.5
135.11726	3.4
135.12636	0.6
145.10117	3.3
146.10892	1.1
147.11696	43.1
159.11708	5.7
160.12488	2.0
161.13268	18.1
173.13295	1.1
174.14041	3.0
175.14832	6.9
188.15666	1.1
203.07010	0.8
203.17967	100.0
204.18246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82870	0.5
55.05497	1.0
56.05037	1.0
58.06599	3.1
59.07382	1.2
60.04525	0.6
60.05642	1.7
69.03447	0.6
69.07058	2.0
69.47126	1.4
69.47541	2.9
70.02946	0.9
70.06593	8.1
72.08161	7.1
74.09724	3.2
82.99847	4.7
84.04493	1.9
84.08149	9.2
86.09712	8.5
88.03977	0.9
97.02882	0.7
98.06049	0.7
98.97575	1.8
100.63909	0.7
100.97164	1.3
100.98009	0.6
101.00884	50.7
102.00986	1.3
102.09214	0.7
103.00636	0.7
112.08747	1.8
115.08718	0.9
116.07115	1.7
118.03489	0.5
119.01925	100.0
120.02052	2.1
121.01624	0.7
124.02480	5.2
129.10269	1.4
131.01883	0.9
133.01581	0.6
137.02953	17.9
138.03088	0.6
142.03506	41.8
143.01878	3.2
143.03633	0.6
147.48836	0.7
152.07077	1.3
156.03360	0.9
156.10112	0.6
158.03047	0.7
160.04575	9.8
160.06326	1.5
161.02960	31.8
165.05144	0.6
175.11923	3.0
176.04149	0.6
176.09459	1.6
178.05795	0.7
178.07433	3.3
179.04012	42.1
179.99080	0.9
184.04601	2.3
184.09769	1.0
197.03065	0.7
202.02528	0.8
202.05614	2.2
202.07506	6.6
220.03799	0.9
220.08501	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	203.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92416	1.4
56.97845	1.2
58.10365	1.6
58.22342	1.7
60.04513	1.7
60.49420	1.3
70.06594	11.0
70.86259	3.5
71.06116	1.7
82.99844	2.0
84.08115	1.8
84.60719	1.3
84.91182	2.7
85.02885	2.5
86.09712	29.3
88.08777	1.7
99.74086	1.7
101.00270	2.7
101.00883	26.4
116.07113	6.6
119.01933	26.6
120.02008	1.9
131.01921	4.5
137.02965	1.8
143.01904	29.2
143.02936	2.7
156.97511	4.5
157.03502	2.9
158.12915	2.4
161.02962	58.6
174.98575	2.8
179.04056	1.7
179.99113	5.6
198.00182	1.7
203.05304	100.0
203.15059	6.1
218.04837	1.5
221.08842	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.05509	1.1
56.05035	0.2
56.96556	0.5
57.07082	0.3
60.04526	0.8
65.03927	0.2
67.05508	1.9
69.07076	1.3
69.45791	0.9
70.06593	0.3
72.08153	1.4
74.78825	0.1
77.03911	0.2
79.05502	1.1
81.07063	4.2
82.07410	0.1
83.04991	0.1
83.08604	0.4
84.04501	0.2
84.08144	0.3
86.06057	0.6
86.09703	0.2
91.05486	1.9
93.07047	2.1
94.00911	0.1
95.08611	6.0
96.08925	0.2
97.06553	0.1
97.10155	0.2
103.05499	0.3
105.07034	4.8
107.08595	3.9
109.10165	5.1
112.11242	0.2
114.05541	0.2
115.05466	0.8
117.05743	0.3
117.07026	4.0
118.06546	0.2
119.04926	0.2
119.08585	5.6
121.06551	0.1
121.10157	1.7
123.11691	0.8
124.05200	0.4
124.71163	0.1
126.05478	0.1
128.05008	0.2
128.06236	0.5
129.07016	0.2
131.08554	0.3
132.08112	0.2
133.10136	3.7
135.11667	0.6
137.05975	0.4
142.07780	0.2
143.04935	0.3
143.07346	2.0
143.08476	0.3
144.08089	100.0
145.06509	0.7
145.08409	0.5
145.10118	0.9
147.04382	0.2
147.08017	0.4
147.11697	6.3
153.07750	0.1
155.06029	0.8
157.07603	0.2
157.10123	0.4
159.11716	0.4
160.05203	0.8
160.12352	0.2
161.03055	0.2
161.05975	0.2
161.09589	0.2
161.10826	0.3
161.13251	2.5
164.07025	0.3
168.08086	0.3
170.06966	0.1
172.05377	0.2
175.07550	1.2
175.14827	1.1
185.05952	0.2
185.09650	0.2
185.13177	0.2
186.09149	2.6
188.04678	0.4
188.08369	0.2
203.05280	0.2
203.06943	1.9
203.08736	0.3
203.10582	1.0
203.11923	0.8
203.14313	0.7
203.17970	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03934	1.3
54.44140	1.0
55.05515	6.7
56.96562	2.5
57.03424	2.0
57.07082	2.5
60.04537	6.0
61.90739	1.0
67.05504	11.2
68.05035	1.1
69.07069	17.4
69.29214	9.3
70.98109	1.3
71.42490	1.0
73.02900	2.3
77.17285	1.1
79.05492	7.0
81.06597	1.5
81.07063	30.5
82.01450	2.5
83.08599	3.5
84.04490	3.0
91.05481	16.2
93.07041	14.1
95.08611	27.6
96.04506	2.3
97.02880	1.3
97.10161	2.7
100.02486	6.3
105.07036	49.9
107.08598	20.2
109.09473	2.0
109.10165	26.6
117.07028	3.0
118.03555	1.9
118.26844	1.1
119.08588	43.3
120.96490	1.9
121.10144	14.5
123.08051	2.2
123.11708	6.4
125.09602	2.3
126.05527	3.0
129.06898	1.1
131.08585	4.0
133.10126	37.5
135.08087	2.4
135.11707	2.8
145.10123	9.9
147.11696	73.7
156.97476	1.8
157.10133	2.2
159.11697	3.4
160.12485	5.2
161.13266	24.3
175.14856	3.7
179.97983	3.9
185.09648	1.1
191.44972	1.1
192.11060	1.4
197.99202	4.7
203.05208	2.1
203.07059	4.3
203.10516	2.2
203.14349	5.6
203.17958	100.0
204.08693	2.8
204.13876	1.7
204.18301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14737	0.3
57.03432	0.3
58.06602	35.1
59.07384	9.0
59.07636	0.3
69.48548	0.9
69.48955	1.6
70.06598	1.6
72.08165	1.3
74.09723	41.7
82.99842	0.5
85.02907	0.5
96.56168	0.4
98.20695	0.4
98.97591	2.6
100.07639	2.5
101.00863	1.7
114.07653	1.8
116.98684	0.4
119.01920	2.6
126.04069	0.5
131.01918	0.7
132.08717	1.2
144.05063	0.4
156.07751	0.3
156.08722	10.7
158.06638	22.4
173.05396	1.8
174.09775	17.9
176.07695	43.2
191.06429	3.9
194.08778	0.8
199.06998	0.4
200.07695	100.0
201.07884	1.5
218.08749	93.3
219.08969	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42092	0.4
55.05519	0.7
56.21930	0.4
56.96572	1.5
57.03432	1.6
58.06600	33.9
59.07084	0.5
59.07385	9.4
61.02930	0.9
69.03429	1.3
70.06605	2.7
70.91728	0.9
72.08154	5.2
72.17522	0.4
73.02918	1.8
74.09722	39.6
82.99859	0.7
83.04975	0.6
84.04489	0.8
84.08191	0.5
85.02905	2.1
97.02895	1.3
98.96941	0.9
98.97588	15.0
100.02509	0.5
100.07623	1.8
101.00881	3.9
110.01273	0.5
110.07152	0.6
110.51495	0.4
110.97560	1.1
113.00805	1.0
114.07683	1.6
116.98640	6.1
118.03500	0.7
119.01909	7.4
125.01807	0.6
126.98700	0.5
127.03888	0.5
128.98624	0.5
129.10277	0.7
131.01909	1.9
132.08720	1.4
134.99684	1.9
137.02936	0.8
142.08566	0.5
143.01878	0.6
144.02112	0.5
149.02910	0.8
156.08707	8.4
158.06636	20.8
158.09286	0.9
158.99721	0.5
161.02878	1.1
163.02698	0.5
172.08188	2.6
173.02869	0.5
173.05353	2.3
174.03181	0.5
174.09767	20.9
176.07693	35.6
177.00740	1.2
177.02312	0.6
182.03127	0.5
187.02715	0.5
190.09291	0.6
191.06424	3.9
194.08849	0.5
199.09174	0.5
200.07690	89.0
201.07874	1.5
204.04318	0.5
208.90219	0.4
218.08745	100.0
219.01717	0.6
219.08958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.03934	1.1
55.01862	0.9
55.05511	18.2
56.96551	2.5
57.03420	1.1
57.07079	10.8
57.93550	1.1
58.07403	0.6
58.19158	0.5
67.05508	4.3
69.03419	1.3
69.07078	4.6
70.07381	1.0
71.08651	0.6
71.12216	1.0
72.04504	0.9
72.26174	0.5
74.09722	8.9
74.93183	0.7
79.05476	3.2
79.09065	0.5
81.07063	5.7
83.04986	8.7
83.08654	3.0
85.06552	4.7
91.02358	0.6
91.05476	2.7
93.07042	9.4
95.04958	1.7
95.08060	1.1
95.08606	10.7
97.06532	5.3
97.96654	0.5
98.96233	0.7
98.97587	19.9
100.07618	2.6
105.07025	3.4
106.52122	2.7
107.04988	0.8
107.08596	16.1
109.06516	3.0
109.10131	3.1
111.04446	100.0
111.08070	3.6
111.11784	0.8
113.06006	2.5
114.61747	0.6
115.52670	3.3
116.97243	10.4
116.98609	10.2
117.07054	1.3
119.08628	0.6
121.06520	3.7
121.10147	2.6
122.07277	1.3
123.08085	1.4
125.06001	25.5
125.09586	0.8
127.07582	2.7
130.07785	1.4
131.99570	2.6
134.95911	1.7
134.99646	4.1
135.08069	16.0
135.11696	18.2
137.13281	1.4
139.07535	3.4
140.00217	1.2
140.04692	1.2
143.08617	1.1
144.03703	3.0
145.10132	16.0
152.96890	3.4
153.00742	0.6
153.12749	5.0
155.54512	2.3
157.97507	1.3
158.01216	3.2
158.15424	1.4
163.11195	19.2
164.55066	1.3
167.05322	0.9
175.98538	8.6
176.02324	2.0
181.12245	36.9
195.08835	0.7
199.04129	0.5
199.11404	1.2
199.13213	1.2
199.14972	1.1
199.18912	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01880	24.8
56.05016	4.2
57.03442	71.6
58.06593	7.4
59.05006	10.9
59.45921	3.5
61.02931	31.8
65.16499	4.4
69.03431	43.6
69.07066	5.4
70.06603	27.2
70.23752	5.0
70.24076	11.9
71.04989	7.4
72.08160	25.6
73.02921	100.0
74.09718	19.5
81.03429	23.1
82.99859	12.2
83.04982	6.0
84.04490	9.6
84.08161	7.4
85.02913	77.9
86.09682	6.1
87.04472	10.8
94.02695	9.4
94.03765	6.1
94.88363	4.5
95.04980	5.9
96.06412	6.6
97.01468	4.9
97.02895	51.8
97.06538	4.3
98.97591	11.7
99.04459	11.2
100.02618	11.9
101.00884	54.9
102.00948	7.8
102.02430	12.2
107.04972	10.6
107.06893	4.9
108.05312	16.8
109.02961	7.2
110.07187	9.4
111.02943	22.7
111.04443	9.9
111.52984	5.5
112.02682	4.6
112.04782	8.4
113.00876	26.2
113.01614	4.8
114.02433	11.8
115.02431	10.4
116.98682	7.0
117.02908	8.7
119.01951	52.7
121.01666	9.3
123.02905	22.7
127.02420	10.9
127.03894	25.4
129.02927	18.0
129.03877	8.9
131.01909	47.3
132.01979	5.5
132.03481	16.8
133.03450	15.4
134.00597	5.5
134.99867	5.4
135.02989	5.8
135.04543	4.6
136.03835	5.0
136.04797	19.6
137.02899	5.2
138.02449	4.7
138.03418	21.1
138.96458	5.7
139.02414	9.2
139.03955	13.1
140.04214	22.9
141.04082	6.1
141.05463	6.0
143.01907	56.8
144.03409	18.1
145.03442	27.2
145.05098	6.2
146.00674	5.9
147.01419	5.5
147.03937	12.5
147.05031	4.7
149.02985	6.9
152.07086	12.3
153.03984	20.1
153.07431	79.7
155.01904	35.3
156.08774	5.2
156.97473	34.2
157.03433	37.4
161.02975	47.7
162.03102	9.8
162.04407	7.3
165.03961	6.6
167.01912	18.3
169.03493	9.0
169.05151	5.3
171.03024	4.6
171.05046	8.3
173.02980	63.8
174.04488	11.3
174.98576	30.1
175.04562	19.7
175.98582	4.6
176.07727	9.6
182.05447	21.4
182.08121	8.3
183.05067	6.9
185.02992	60.4
187.04480	10.1
191.03992	6.5
197.02988	12.5
198.98540	16.1
199.04491	9.9
199.06198	6.1
199.07919	8.2
199.10698	5.5
199.18919	44.4
200.04053	5.8
200.07698	17.7
203.04030	40.9
209.02991	7.2
215.03880	8.5
216.99629	10.5
218.08784	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75504	0.2
69.75845	0.9
71.60011	0.2
74.90120	0.2
82.95774	0.2
82.99851	0.4
84.08188	0.2
85.04066	0.2
98.97601	0.3
101.00869	2.2
101.02557	0.2
102.94360	0.4
112.16793	0.2
116.99208	0.2
119.01925	2.4
120.95360	1.5
125.07200	0.2
128.49988	0.6
131.01884	0.2
137.03001	0.3
138.96423	18.0
139.96521	0.3
148.96022	0.5
154.97762	0.8
156.97490	100.0
157.97592	1.6
158.97917	0.5
161.98038	0.2
163.98268	0.8
164.48259	0.2
166.48495	0.9
166.98647	0.3
172.98788	0.3
174.98549	68.5
175.49072	1.7
175.98853	1.4
176.49001	0.2
176.98997	0.3
179.99088	1.6
180.97496	1.2
180.99217	1.0
186.99785	0.3
187.52451	0.2
196.52991	0.4
198.00133	0.8
198.18541	1.3
198.98543	21.8
199.18896	0.3
199.98579	0.3
216.99603	42.7
217.99722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05512	0.6
55.74934	0.4
56.05043	0.9
63.02388	0.5
67.89935	0.4
69.04562	3.0
70.76320	0.7
70.76659	0.5
78.04719	0.6
78.99567	0.4
79.05496	0.8
81.04527	0.4
83.06107	2.6
89.03917	16.9
91.05490	1.5
93.07047	0.6
95.08596	0.4
103.05466	1.2
106.04202	1.2
107.04945	0.6
109.04022	0.8
110.07165	10.0
110.07889	0.7
110.88451	0.4
111.05589	0.5
117.03384	38.1
121.06518	1.1
121.10141	0.6
123.04395	0.6
134.03647	5.0
135.04433	2.7
138.06630	58.2
145.02849	62.1
148.67218	0.4
149.05988	17.8
162.03119	1.7
163.03923	5.9
177.05473	83.7
178.05798	1.0
186.05515	1.2
195.08775	100.0
203.01094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03935	1.8
55.01855	1.4
55.05516	26.1
57.03426	5.6
57.07081	2.5
59.04988	1.5
67.05183	2.3
67.05506	27.9
69.03457	1.4
69.07072	29.4
69.39373	6.2
69.39780	2.5
71.05000	8.5
79.05493	15.3
81.07056	78.0
83.04976	6.7
83.08618	22.0
85.06541	13.6
91.05478	18.6
91.55060	1.5
93.06483	1.9
93.07043	24.0
95.08612	100.0
97.06532	23.9
97.10173	11.8
99.08089	6.6
101.05975	1.7
105.07037	25.3
107.08595	14.3
109.06503	4.3
109.10172	7.9
111.08096	5.3
112.04347	1.4
113.09647	2.3
115.07590	2.1
119.08585	41.3
121.10150	12.2
122.89116	1.4
123.08052	9.7
132.95790	1.9
133.09116	1.7
133.10135	28.1
135.11699	28.3
137.09615	4.2
137.13261	25.8
138.20538	1.3
139.30766	1.3
141.09085	2.6
151.14810	1.7
161.13264	89.3
173.98523	1.5
179.14317	54.0
196.70068	1.4
197.09193	2.6
197.15340	12.6
198.18546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0763
Annotation	DL-DOPA
Peak:m/z	Relative Intensity
53.03943	0.7
55.01879	1.5
55.05521	2.8
56.96551	0.5
57.03438	1.7
57.07075	1.2
60.08171	2.0
61.02930	2.1
65.03950	2.0
67.05503	1.1
68.05032	0.6
69.03424	3.7
69.07073	2.4
70.00082	1.2
70.00481	0.9
70.06592	3.7
71.05008	0.6
71.08614	0.6
73.02911	2.9
77.00900	0.6
79.05497	2.7
81.03422	1.3
81.07066	0.8
82.01447	1.4
82.99867	0.5
83.04992	0.5
83.08620	1.9
84.08159	1.0
84.70267	0.5
85.01424	0.8
85.02908	6.0
86.06100	0.5
86.09720	0.6
91.05473	2.8
93.03413	6.9
93.07058	0.7
95.06098	11.0
95.08590	0.5
96.08137	0.6
97.02905	2.2
97.10186	1.2
99.04454	0.6
100.02491	4.2
101.00888	4.0
102.02383	1.7
103.02463	2.6
103.03074	0.5
106.06567	4.2
107.04964	26.2
108.02457	0.7
109.02859	3.3
110.06054	2.2
110.07209	1.1
111.02952	1.5
111.04449	13.7
111.99299	0.5
113.00866	1.6
113.02392	1.6
115.02429	1.2
118.03536	2.3
119.01945	3.7
119.04951	1.2
120.02010	0.8
120.03451	0.9
120.53588	0.7
121.01587	0.8
121.03497	0.9
127.03926	1.2
129.00336	0.7
129.03957	0.7
131.01906	3.1
132.03419	1.1
133.03481	1.6
134.06039	5.7
135.04420	39.9
137.05991	1.3
138.05492	2.7
139.03908	45.4
143.01854	3.1
144.05078	0.8
145.03448	1.1
145.04973	1.0
147.01398	1.7
147.04066	0.7
151.03934	1.7
151.81342	0.5
152.07074	100.0
154.03490	0.6
154.13425	3.3
155.01842	1.4
156.97531	0.7
157.03473	2.8
161.02968	5.4
163.03906	7.2
163.06035	0.6
170.03006	5.4
170.06544	0.9
173.03012	2.0
175.02602	0.6
175.04570	2.3
181.04964	29.3
185.02882	1.7
187.00970	0.7
193.03798	0.6
198.00407	0.5
198.06065	0.7
198.07610	8.9
198.11195	4.3
198.18539	54.3
203.04025	1.1
216.07190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05517	8.4
57.07060	3.5
62.96011	1.5
67.05506	10.9
69.03408	3.2
69.07072	23.9
71.53209	2.3
79.05489	9.3
81.07067	12.5
83.04979	1.5
83.08614	8.6
85.23491	1.4
91.05482	8.9
93.07047	27.5
95.08604	48.7
97.10152	6.8
105.07008	3.8
107.08597	37.0
108.90467	2.5
109.06500	3.3
109.10156	24.4
111.11762	2.0
111.38943	1.4
117.07034	2.0
119.08579	4.9
121.10147	52.7
123.08076	2.0
123.11712	5.7
131.08553	8.7
133.10104	10.9
135.08043	5.4
135.11697	40.6
143.08566	2.0
145.10132	2.4
146.06017	3.4
147.11668	3.7
149.13272	9.8
150.02675	2.1
158.10945	1.8
160.05022	2.6
173.13283	9.0
185.79071	1.6
191.08176	3.8
191.10663	4.1
191.14319	27.1
191.17953	100.0
192.06497	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
54.51017	0.2
55.01876	0.2
55.05507	0.3
56.05040	0.4
56.96571	1.4
58.06584	0.3
58.99591	0.3
61.01158	0.4
65.65823	0.2
66.04928	0.2
67.05504	0.4
69.03429	0.3
69.07072	0.5
69.95719	0.3
69.96003	1.0
70.06601	1.1
70.95858	0.2
71.05006	0.2
72.08145	0.7
72.93787	1.0
79.05467	0.2
81.03437	0.5
81.07057	0.3
84.04506	0.3
84.08145	1.6
86.06124	0.2
86.09715	2.4
88.04020	0.2
90.94817	1.0
91.05472	1.0
93.07043	0.3
94.06554	0.2
95.04955	0.3
97.02897	0.9
98.06060	0.5
98.97595	0.9
100.02182	0.4
103.05447	0.3
104.05336	0.4
104.97137	0.2
105.07006	0.6
106.06551	0.3
107.04974	0.3
107.08595	0.3
109.02882	0.2
110.07177	3.7
110.97575	0.2
112.08728	0.4
116.07072	0.3
116.98633	0.3
118.06602	0.3
119.04974	0.2
120.08085	0.4
121.02865	0.4
121.06417	0.2
123.04512	0.2
127.43678	0.2
129.10277	0.3
132.04489	0.4
132.08058	0.2
132.95851	4.3
133.03177	0.3
133.06526	0.5
136.05147	0.5
136.07501	0.3
137.05975	1.0
144.06569	0.5
146.02745	0.5
146.06017	2.2
146.09605	0.5
146.10634	0.2
147.04359	0.2
148.07593	1.6
149.01256	0.2
149.05920	0.3
149.08377	4.7
149.96095	0.7
150.01622	0.2
150.05759	0.4
150.96898	5.8
151.00725	0.3
156.07701	2.4
160.05075	1.8
161.06003	0.5
164.07063	1.1
165.27100	0.2
166.06183	0.5
167.97177	0.4
168.98091	0.3
174.05492	1.1
174.09055	0.3
175.03847	0.3
175.07437	0.3
176.07127	0.4
177.07861	40.5
178.08194	0.5
180.56062	0.8
181.02972	0.2
183.07205	0.3
186.96834	0.3
187.02704	0.3
191.97215	1.6
192.06570	2.5
192.10202	100.0
192.17346	1.0
193.04959	0.7
193.08861	0.2
193.10539	1.1
209.98259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.97592	0.7
53.03917	0.9
55.05268	0.9
55.05512	10.8
57.07067	3.3
58.79825	0.7
58.98462	0.8
67.05503	10.3
69.07072	31.4
71.08607	0.8
79.05156	0.8
79.05508	9.6
81.07056	11.1
81.54754	0.7
83.08621	9.2
85.10162	0.8
91.05474	4.9
93.07047	31.6
94.68195	0.8
95.04995	0.8
95.08611	56.1
97.10181	6.3
98.21519	2.2
99.68838	0.8
103.05455	2.0
105.07048	5.5
107.08598	42.0
109.06490	1.3
109.10160	31.9
111.11726	1.8
118.99155	0.9
119.08607	1.4
121.10148	56.0
123.11701	4.7
126.40981	0.7
131.04933	1.3
131.08557	1.2
133.10135	2.9
135.08054	1.6
135.11696	40.3
145.10143	1.0
147.11707	1.2
148.05147	1.1
149.13264	11.8
150.09111	1.1
159.04327	0.8
163.07585	1.4
163.14923	1.7
173.13297	1.3
191.07016	1.8
191.14412	5.2
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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03942	1.4
55.05514	9.4
56.72295	1.1
56.96544	1.8
57.07067	2.7
67.05508	9.5
69.03388	1.5
69.07067	28.5
69.65456	1.3
71.52069	1.4
78.43530	1.3
79.05491	10.5
81.07056	12.8
83.08617	12.0
91.05474	6.0
93.06486	2.3
93.07043	31.8
95.04912	1.4
95.08608	55.0
97.10162	7.5
97.47925	1.0
105.04478	1.4
105.07045	7.1
107.07878	2.5
107.08592	40.1
109.06496	1.8
109.09479	2.0
109.10162	29.7
117.06988	2.2
119.08582	2.8
121.06458	2.0
121.10145	53.7
123.08044	2.0
123.11674	5.6
131.08546	3.1
133.10103	6.7
135.08058	4.4
135.11694	45.8
135.12726	2.3
145.10080	2.2
147.11592	2.2
149.09682	1.5
149.13275	15.8
160.05003	1.8
163.07520	2.0
163.14914	2.2
173.13255	4.5
191.07033	3.7
191.10690	2.8
191.14340	14.6
191.17949	100.0
192.10172	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05515	10.1
57.07081	3.2
63.24901	0.6
67.05185	0.8
67.05511	11.0
67.77383	0.6
68.65678	0.7
69.07070	32.8
71.08642	0.6
75.36707	0.6
79.05494	10.8
81.07060	13.0
83.08623	10.6
91.05486	5.5
93.07050	34.7
95.05005	0.8
95.08612	65.0
96.85656	0.7
97.10177	7.2
98.21578	1.1
103.05470	2.8
105.07017	4.6
107.04935	0.8
107.08600	42.9
109.06512	1.4
109.10161	34.1
111.11709	1.6
119.05992	0.7
119.08572	2.0
120.08794	0.9
121.06505	1.0
121.10149	55.8
123.11701	4.5
131.04927	2.4
131.08566	1.2
133.10126	2.8
135.08060	1.0
135.11696	46.1
139.74042	0.6
141.95560	0.6
145.10181	1.5
145.77890	0.6
147.11713	2.0
148.05156	1.9
148.12553	0.7
149.12199	1.1
149.13278	13.8
152.72646	0.7
163.07518	3.9
163.14867	1.8
191.07001	4.2
191.14372	3.7
191.17955	100.0
192.18358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64611	0.7
55.05511	9.7
57.07061	2.5
63.55146	0.8
67.05504	7.2
68.55080	0.7
69.03410	1.3
69.07072	22.1
70.03119	3.0
79.05488	7.8
81.07053	9.7
83.08630	8.2
91.05491	3.9
91.79590	0.9
93.07046	28.5
95.08607	50.9
96.44702	0.7
97.10152	6.9
103.05441	1.5
105.07060	3.8
107.04933	0.8
107.08591	34.6
109.10160	23.9
111.11725	1.6
119.08587	2.4
121.10144	47.6
123.11691	4.7
131.04933	1.1
131.08585	1.0
133.10100	2.4
135.08032	0.9
135.11691	37.9
135.46675	0.8
145.10139	1.0
149.13246	11.1
162.14052	0.8
163.14758	1.9
173.13200	1.0
184.88708	0.8
191.07066	2.0
191.10672	1.7
191.14355	6.0
191.17946	100.0
192.18340	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.24392	0.5
53.03931	1.1
55.01852	0.6
55.05510	11.3
56.11833	0.5
56.96550	2.5
57.07082	3.3
65.03941	0.6
67.05175	0.9
67.05505	9.9
69.03416	1.4
69.07069	31.4
69.64385	0.5
70.16735	1.7
71.04996	0.8
77.03927	0.6
79.05493	10.3
81.06591	1.0
81.07056	11.8
83.04979	1.2
83.08157	0.8
83.08619	10.8
91.05476	6.2
93.07044	34.1
95.04967	1.5
95.08608	58.1
97.06544	0.8
97.10162	6.9
98.21488	0.7
98.97586	0.6
103.05462	1.5
105.07032	5.4
107.04922	0.7
107.08593	40.3
109.06506	1.7
109.07187	0.6
109.10156	30.3
111.11741	1.3
111.12587	0.5
115.05435	0.8
117.07025	1.4
119.08562	3.3
121.06514	1.5
121.10145	57.0
123.08061	2.3
123.11690	6.5
123.95906	1.8
131.04889	1.3
131.08603	2.9
132.96423	1.8
133.10150	3.9
135.08063	4.7
135.11694	45.7
135.46733	0.9
141.96980	1.7
144.47226	1.9
145.07648	0.6
145.10124	3.4
147.11639	1.9
148.05122	0.7
148.12454	1.4
149.01218	2.2
149.09618	1.5
149.12064	0.8
149.13257	15.2
153.47733	1.5
155.97977	0.8
159.04370	0.7
160.05115	0.8
163.07532	1.1
163.11177	1.2
163.14815	1.9
173.09593	1.9
173.13281	3.8
179.64149	0.6
182.56960	0.9
191.03331	1.3
191.06912	2.9
191.10687	6.0
191.14334	11.1
191.17949	100.0
192.10144	0.9
192.18436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70535	0.9
52.35519	1.0
53.03946	1.3
55.05512	9.1
56.96557	2.1
57.07068	2.7
67.05509	8.4
67.55158	0.9
69.03425	2.5
69.07068	25.4
71.04984	1.2
71.51613	1.7
79.05495	8.4
81.07054	10.7
83.04980	1.6
83.08635	10.2
89.74141	1.0
91.05466	6.7
91.18669	0.9
93.07044	28.4
95.04955	1.8
95.08609	46.2
97.06480	1.5
97.10159	6.3
103.05425	1.5
104.63839	0.9
104.77341	1.2
105.07018	6.5
107.04980	2.1
107.07883	2.0
107.08595	38.4
109.06487	2.2
109.10160	21.3
111.11695	1.4
117.07040	2.0
119.08583	3.4
121.06529	2.3
121.10148	46.2
123.08100	1.4
123.11708	4.8
123.95956	1.3
131.04924	1.5
131.08568	4.8
132.96461	1.8
133.10121	3.8
135.08058	4.1
135.11699	38.2
135.46605	1.1
136.05238	1.3
144.47218	2.7
145.10136	3.5
147.11711	2.4
149.09676	2.5
149.13248	10.3
153.47711	2.0
163.07536	1.7
163.11201	1.4
163.14777	2.0
173.13245	4.8
191.03372	1.0
191.07021	2.9
191.08441	1.7
191.10654	6.3
191.14330	18.2
191.17952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
50.93166	1.0
53.03920	1.1
53.15608	1.2
54.36245	1.0
55.05509	8.7
56.96550	3.5
57.07079	3.0
67.05506	11.2
69.03416	3.7
69.07066	25.9
71.04984	1.4
71.51627	1.1
77.82422	1.0
79.05482	11.2
81.07056	12.4
82.12981	1.1
83.04978	1.8
83.08603	7.8
91.05490	7.3
93.07044	28.6
95.04951	2.4
95.08610	49.7
97.10163	6.7
105.07025	7.9
107.04950	2.7
107.08592	36.0
108.90427	1.3
109.06528	2.7
109.10161	22.9
111.04475	1.3
111.11718	2.1
112.30969	1.0
117.06995	3.1
118.06535	1.6
119.08580	4.3
121.06496	2.7
121.10147	55.3
123.08038	2.1
123.11734	6.7
123.95967	2.7
127.03087	1.0
131.04932	1.8
131.08582	4.1
132.96466	2.5
133.10121	6.1
135.08069	5.1
135.11691	37.1
138.24597	1.0
141.96976	2.9
144.47227	3.0
145.10104	2.7
146.06073	1.6
147.11717	2.8
149.01230	2.5
149.09656	2.3
149.13237	9.5
153.47769	4.0
160.05098	1.9
162.51939	1.1
163.07483	1.7
163.14792	1.6
173.09554	1.7
173.13281	5.9
191.06850	6.0
191.10681	3.1
191.14330	20.4
191.17955	100.0
192.10056	1.2
196.08142	1.2
210.36580	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05315	0.7
55.05515	7.9
57.07063	3.0
60.58753	0.7
67.05503	8.5
69.07072	27.0
69.76776	2.7
69.77175	1.8
79.05505	7.5
81.07056	9.1
83.08621	10.0
91.05471	3.3
92.29491	0.8
93.07044	27.3
95.08612	51.2
97.10172	6.3
105.07035	3.3
107.08599	36.2
109.10152	24.6
111.11711	1.7
119.08546	1.6
121.10146	48.0
123.11677	5.3
133.10083	1.0
135.11696	40.1
147.11702	0.9
149.13261	11.3
163.14772	1.2
164.24220	0.8
173.09541	0.8
173.13304	0.9
191.17955	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.7
56.96564	0.8
57.07068	2.0
67.05510	9.2
69.03425	1.4
69.07072	27.9
69.59772	1.4
69.60177	3.2
71.08619	0.7
74.42092	0.7
79.05500	9.5
81.07057	11.9
83.08623	9.1
85.10146	0.8
91.05473	4.0
93.07048	29.9
95.04968	1.2
95.08610	56.1
97.10168	6.0
100.32378	0.7
105.07034	4.9
107.08598	38.4
109.06480	1.1
109.10162	27.3
111.11705	1.6
113.78611	0.8
117.07013	1.2
119.08527	1.4
119.32858	0.7
121.06504	1.4
121.10149	49.2
123.08053	1.9
123.11736	5.5
126.02512	0.8
131.08586	2.6
132.96404	1.1
133.10150	3.8
135.08078	2.6
135.11696	40.1
141.96983	1.7
145.10152	1.9
146.97487	0.8
147.08037	1.1
147.11707	2.2
149.09560	0.9
149.13286	10.3
153.47833	1.6
159.04369	0.8
160.05188	1.0
163.14827	1.6
173.13225	3.8
191.06973	2.0
191.10654	1.7
191.14368	9.3
191.17958	100.0
192.18242	1.0
192.89330	0.8
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	Unknow
Peak:m/z	Relative Intensity
50.34476	0.9
52.92695	1.1
53.03941	1.3
55.05510	10.7
56.96548	2.0
57.07063	3.0
67.05498	10.2
69.03445	1.4
69.07068	28.8
71.08630	1.0
71.51726	1.0
71.52114	1.4
79.05494	12.3
81.07049	11.8
83.04988	1.7
83.08617	11.7
88.70105	1.1
91.05479	7.3
93.07040	36.6
95.04980	1.0
95.08606	58.9
97.10171	6.5
103.05416	1.5
105.07030	5.4
107.04908	1.1
107.08593	39.7
109.10158	31.0
111.11700	2.1
119.08594	1.8
121.06506	1.9
121.10141	57.3
123.11707	6.8
123.95918	1.6
131.04912	1.4
131.08588	2.6
132.96429	1.9
133.10149	3.2
135.08057	2.9
135.11694	47.1
135.46667	1.6
141.96950	1.3
144.47278	1.2
145.10060	2.4
147.11693	1.7
149.01199	1.5
149.09621	1.7
149.13255	15.1
153.47728	1.9
160.05031	1.3
163.07440	1.2
170.53783	1.2
173.13268	3.6
191.07053	2.8
191.10704	3.8
191.14343	9.6
191.17946	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05522	12.3
57.07067	2.8
67.05511	9.2
69.03430	1.8
69.07076	32.5
70.70524	3.2
73.14368	1.1
79.05137	1.1
79.05508	11.6
81.07062	12.1
83.08625	13.8
91.05476	7.2
93.07053	34.2
95.08620	61.1
97.10173	7.4
103.05473	2.2
105.04454	1.0
105.07047	6.0
105.93844	0.9
107.08608	48.6
109.10170	33.4
109.10770	0.7
109.10925	1.1
110.28404	0.9
111.11707	1.9
118.04178	2.0
119.08546	3.2
121.10161	59.5
123.11700	5.0
131.04916	2.3
131.08600	2.2
133.10127	5.2
135.08099	2.1
135.11710	52.0
145.10162	1.1
147.11684	2.7
148.05208	2.3
148.12495	1.1
149.13280	16.6
163.07542	2.7
163.14793	2.1
173.13252	1.9
177.08466	1.0
191.07062	4.7
191.14336	7.8
191.17964	100.0
192.18452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	0.8
55.05506	3.4
57.03463	0.8
57.07078	0.7
67.05515	2.7
68.63113	0.4
69.03429	8.4
69.07069	2.8
69.33303	0.5
70.95393	1.1
71.05000	1.9
71.80457	0.5
74.70804	0.5
75.98563	0.5
76.10081	0.5
79.05502	5.3
81.07062	5.5
83.04964	2.5
83.08638	0.5
83.87489	0.5
85.06536	0.5
91.05484	5.3
91.73378	0.5
93.07046	5.3
95.04978	1.2
95.08626	2.5
97.06527	1.1
103.05492	2.5
105.06327	0.6
105.07034	12.1
107.04975	2.9
107.08603	20.0
107.09314	1.2
109.06537	2.1
109.10162	6.6
115.86178	0.5
117.07020	2.1
118.04183	0.9
118.07813	1.0
119.08600	5.1
121.06509	2.5
121.10149	12.9
122.07269	2.5
123.08078	2.3
128.65808	0.5
131.04909	1.8
131.08597	6.8
133.10138	100.0
134.10503	1.0
135.08064	5.1
135.11700	1.7
137.09631	20.0
143.08574	1.6
145.10172	4.4
147.11713	3.4
148.05185	1.1
149.09601	2.6
149.13257	9.0
158.10922	3.7
163.07605	2.8
163.14821	2.2
173.09621	0.8
173.13266	12.2
176.04593	0.5
191.03394	1.0
191.06995	3.7
191.10695	1.5
191.14313	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	191.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.6
57.07062	2.7
57.48010	1.0
58.00339	0.9
67.05515	8.1
69.03444	0.9
69.07072	26.8
70.90659	2.2
79.05494	8.6
81.07059	12.0
83.08626	10.6
91.05453	5.2
93.07048	30.1
95.08611	56.4
97.10181	7.2
105.07022	4.1
107.07883	1.8
107.08596	38.1
109.10162	27.2
111.11728	2.5
119.08570	2.9
121.10148	55.6
123.11713	4.4
133.10152	2.8
135.07997	1.2
135.11697	39.3
135.12737	2.0
145.10185	1.2
148.12450	1.3
149.13260	9.1
163.07518	1.0
163.14835	1.3
173.13226	1.2
191.07065	1.6
191.14310	3.8
191.17955	100.0
192.18340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	0.7
55.01871	1.8
55.05510	3.1
56.96559	0.6
57.03437	0.5
57.07069	0.5
63.44690	0.3
65.03938	0.8
67.05501	3.1
68.99791	3.1
69.03426	4.6
69.07075	3.1
70.06610	0.6
71.04984	1.3
71.52408	0.4
79.05495	6.8
81.03438	0.5
81.07052	2.7
83.04990	4.9
83.08615	1.0
84.08121	0.4
85.06543	0.7
89.03950	0.4
91.05480	13.2
93.07044	5.8
94.97265	0.4
95.01339	1.0
95.04976	1.7
95.08595	2.5
97.06539	2.2
101.29297	0.4
103.01842	0.5
103.05494	3.3
105.03405	0.6
105.07039	13.0
107.04946	3.5
107.08603	13.1
109.02940	0.4
109.06528	2.3
109.10147	1.4
111.04475	0.7
111.08056	0.6
111.77322	0.4
115.05477	0.9
116.06242	1.4
117.07014	6.1
118.04190	0.7
119.08588	7.3
119.09377	0.6
119.27915	0.3
121.06511	2.9
121.10143	7.7
123.08072	2.2
124.53951	0.4
128.06195	0.4
129.07002	4.2
130.04176	0.4
130.07793	2.3
131.04932	2.6
131.08571	50.5
132.08038	0.6
133.02885	0.6
133.06496	1.4
133.10133	26.1
135.04422	1.1
135.08060	6.4
135.11685	2.0
137.02350	3.3
141.01813	0.9
143.08565	2.5
144.09422	0.8
145.06511	1.5
145.10126	21.4
147.08058	3.0
147.11684	3.8
148.05139	1.1
149.01205	0.5
149.05995	1.2
149.09621	10.6
149.13258	3.7
155.08498	0.7
155.72086	0.4
158.10893	2.8
160.05060	4.2
161.09607	1.5
163.03893	7.8
163.07535	6.2
163.11198	3.5
163.14845	1.7
173.02304	1.4
173.05891	0.5
173.09622	5.8
173.13257	14.5
176.04639	0.8
176.11855	0.6
190.74548	0.4
191.03398	100.0
191.10669	24.5
191.14302	41.9
191.31682	0.4
192.03874	0.8
192.07718	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01857	3.2
55.05519	7.3
56.96551	5.2
57.03070	1.4
57.03416	2.3
57.07057	1.9
58.06593	1.8
58.59230	1.4
59.04969	1.8
59.31686	1.4
61.36928	1.5
64.07100	1.5
66.04742	1.5
67.05520	10.5
69.03429	9.3
69.07063	13.2
69.46361	8.2
70.06580	2.0
71.04983	8.9
79.05497	13.4
80.74837	1.3
81.07071	14.1
83.04953	7.3
83.08610	4.8
84.08156	2.8
85.06536	3.8
86.09694	3.6
91.05489	28.9
93.07050	19.4
95.04973	13.5
95.08620	17.1
97.06546	8.6
98.97561	2.0
102.04684	2.2
103.05478	39.6
105.03381	1.8
105.07036	58.6
107.04930	5.9
107.07886	2.1
107.08604	38.3
109.06516	24.4
109.10160	24.9
110.07178	3.7
111.08067	2.6
115.05424	5.8
115.31219	1.8
116.06216	2.4
117.07047	16.1
118.04156	6.2
118.06518	3.7
119.04918	3.1
119.08588	30.1
120.08093	6.2
121.06503	8.5
121.10148	23.3
123.08112	11.1
123.11713	5.6
129.07008	6.6
130.04115	4.6
130.07803	3.6
131.04942	34.3
131.08572	89.0
132.05684	3.1
133.02855	5.5
133.06464	3.4
133.10138	100.0
135.08055	37.7
135.11676	6.2
136.05203	1.9
136.06160	5.1
143.08536	7.5
144.09372	3.5
145.06534	3.5
145.10136	40.5
146.03619	2.6
146.05975	3.7
147.04424	4.0
147.07964	2.7
147.11699	26.0
148.05186	18.3
149.01204	3.9
149.05936	3.8
149.09650	21.2
149.13263	20.4
150.09097	3.2
150.10268	1.9
154.01749	1.6
158.10925	11.0
159.04396	6.6
160.05077	73.6
163.07539	29.6
163.11172	6.8
163.14824	5.6
173.05962	4.9
173.07237	2.7
173.09587	4.9
173.13277	68.0
176.04646	10.0
177.04266	2.6
185.09865	1.8
191.03484	17.1
191.05238	3.5
191.05576	2.0
191.06999	48.1
191.08293	2.7
191.10643	16.5
191.14308	86.0
192.07886	14.1
199.41919	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36486	11.4
56.93839	12.7
60.08167	28.1
67.05502	12.5
69.03413	12.5
71.50905	22.7
72.08152	29.1
73.02900	14.7
73.08497	25.4
84.08158	100.0
85.06579	12.0
85.08503	18.5
86.09760	13.6
86.92470	10.8
97.02879	12.6
99.87496	13.0
101.00908	13.9
103.11745	10.8
117.18331	10.7
130.08647	34.1
131.08977	17.6
148.49307	11.5
185.03009	27.1
190.01237	20.4
190.14392	35.0
190.16054	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	190.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71875	14.6
56.96555	27.8
61.02946	21.5
70.06606	22.9
70.42374	58.2
72.08161	19.6
84.08144	100.0
85.08472	30.5
86.09705	34.4
89.44978	16.0
95.66007	17.2
98.97580	26.3
130.08658	35.7
144.10175	28.2
151.76242	16.4
185.02971	63.1
190.01227	43.7
190.04890	16.8
190.09360	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	191.0703
Annotation	Oospolactone
Peak:m/z	Relative Intensity
53.03941	2.6
55.01860	1.2
55.05524	1.1
56.96568	1.2
59.30048	0.9
66.04715	3.4
67.05491	1.1
68.99795	1.1
69.03426	1.1
69.07094	1.0
70.95458	2.2
77.03918	1.3
77.06001	0.9
79.05500	8.1
81.07054	1.7
82.65974	1.0
83.04942	1.6
89.40865	0.9
90.04694	3.5
91.05482	14.2
92.06241	1.5
93.07040	3.3
95.04977	3.1
95.08616	2.9
102.04681	4.8
103.05472	100.0
105.03406	8.6
105.07032	17.3
107.04960	9.2
107.08602	5.5
115.05474	7.7
117.07034	7.1
118.04162	32.4
118.06546	1.1
118.61686	1.0
119.04945	10.4
119.08577	4.3
120.05750	5.5
121.06507	2.1
121.10127	2.4
129.06914	1.7
130.04161	11.6
131.04935	81.7
131.08577	21.4
132.05730	4.9
133.02858	17.5
133.06494	6.4
133.10132	9.0
135.08075	9.6
135.11673	1.1
145.06473	4.3
145.10115	9.9
146.03630	6.7
147.04417	2.1
147.11688	2.5
148.05200	63.8
149.09619	4.6
149.13232	1.4
155.08626	1.2
158.10835	1.0
159.04387	1.8
160.05034	2.7
161.05977	3.0
163.07550	96.0
173.05997	7.8
173.09625	3.2
173.13263	6.1
176.04663	11.4
176.05873	1.0
191.03439	10.7
191.07024	86.3
191.10606	11.8
191.14294	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	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.41026	0.5
53.03953	1.5
55.01871	2.6
55.05505	0.8
57.03434	1.0
64.21979	0.5
65.03944	1.5
66.04696	0.5
67.01857	0.5
67.05505	6.1
68.36719	0.5
68.99804	2.5
69.03436	1.3
69.07065	1.1
71.04984	1.2
71.05579	0.7
71.65317	0.4
77.03892	0.7
79.05498	13.0
81.03423	0.8
81.07044	1.9
83.04985	3.8
91.05483	24.6
93.03434	0.5
93.07047	7.9
95.04976	4.4
95.08594	1.1
96.05758	1.0
97.06534	1.4
102.04688	0.6
103.05463	8.4
105.03436	0.9
105.07030	17.2
107.04955	7.2
107.08591	10.7
108.05784	0.6
109.06535	3.3
110.07100	0.5
114.44878	0.5
115.05466	3.0
116.06239	3.0
117.07012	12.6
118.04153	1.6
119.04938	0.6
119.08588	13.7
120.08118	0.5
121.06509	6.9
121.10143	4.8
123.08094	0.7
125.06043	0.6
128.06238	1.2
129.07013	10.6
130.04146	0.5
130.07820	5.4
131.04939	7.2
131.08568	100.0
132.05637	0.5
132.08916	0.7
133.02863	1.4
133.06483	1.4
133.10117	4.4
135.04471	2.5
135.08052	3.7
135.11705	1.5
137.02347	3.1
140.71210	0.5
141.01772	0.8
143.08556	2.5
145.06480	6.0
145.10126	47.4
147.08052	11.3
147.11700	3.4
148.05214	4.1
149.06015	2.5
149.09619	15.4
149.13313	0.5
154.26880	0.6
155.08582	4.1
155.18607	0.5
158.07301	1.1
160.05063	6.9
161.09587	0.7
163.03920	5.6
163.07541	18.9
163.11171	6.8
167.07088	0.5
173.02344	1.1
173.09627	23.4
173.13263	1.9
176.04675	1.0
191.03401	73.3
191.07001	8.3
191.10670	67.5
191.14244	4.1
192.03780	1.0
192.07744	2.4
192.10912	0.8
206.60191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03951	0.7
55.05512	1.2
67.05505	1.7
69.03435	3.0
69.07079	1.1
69.36644	2.3
72.08170	0.3
79.05486	1.8
81.03391	0.4
81.07062	10.2
83.04988	1.4
83.08656	0.4
85.02907	0.4
91.05488	4.7
93.07049	2.0
95.08614	10.1
99.04449	0.5
105.07037	10.9
106.96546	0.3
107.08584	3.6
109.10172	3.5
111.04444	0.6
115.05452	0.6
117.07026	0.4
119.08587	100.0
120.08922	0.5
121.06520	0.3
121.10162	1.4
123.11714	0.3
124.04655	0.4
124.57321	0.3
129.03386	1.7
129.05482	0.9
129.07028	0.7
131.08568	1.0
133.05177	0.3
133.06503	0.4
133.10138	10.3
145.10150	0.6
146.10930	0.5
147.04402	0.5
147.06534	0.4
147.08017	0.3
147.11691	7.1
161.06006	1.2
161.13266	45.5
162.13620	0.4
171.11693	0.7
174.06763	0.6
174.10411	0.3
189.05452	4.6
189.09134	1.8
189.12708	1.7
189.16394	22.1
190.06282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05511	1.5
56.96565	0.5
61.02913	0.4
64.92778	0.3
65.03944	0.9
67.05510	2.5
69.03428	3.9
69.07057	0.8
69.82888	1.5
71.04999	0.4
79.05494	1.7
81.03431	0.5
81.07058	11.0
83.04995	2.0
83.08593	0.5
84.08156	0.8
85.02901	0.6
91.05482	5.8
93.07041	2.2
95.04950	0.6
95.08615	11.9
97.10164	0.4
99.04467	0.9
103.05439	0.5
105.07030	11.0
107.04964	0.5
107.08600	4.5
108.62190	0.4
109.10141	2.8
111.04436	0.9
117.07008	0.7
119.08583	100.0
121.10174	1.7
128.06239	0.8
129.03346	2.4
129.05495	2.2
129.06967	0.9
131.04916	0.4
131.08588	1.1
133.10132	10.7
143.08611	0.5
145.10127	0.8
147.06595	0.4
147.08025	0.8
147.11697	7.3
147.81346	0.4
156.09338	0.7
159.11807	0.5
161.05977	1.4
161.13260	48.1
171.11678	0.9
174.06747	1.2
174.10471	0.5
189.05476	6.3
189.07472	0.9
189.09027	2.2
189.12701	2.7
189.16386	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	189.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05503	2.2
57.03429	1.1
57.07080	0.6
58.00254	0.5
61.02928	1.1
67.05505	3.0
68.40159	0.5
69.03418	5.9
69.07063	1.5
70.06575	0.5
71.04995	1.1
71.51793	0.8
79.05511	2.5
81.03405	1.0
81.07059	16.1
83.04993	3.0
83.08610	1.0
83.17848	0.5
85.02915	0.9
91.05486	8.1
93.07042	2.5
95.04959	0.6
95.08614	14.8
99.04452	1.4
103.05441	0.6
105.07035	15.2
107.08583	5.1
109.10151	4.4
111.04446	1.5
116.19493	0.6
117.07032	0.9
119.08582	100.0
121.10150	1.7
126.34155	0.5
129.03369	3.9
129.04155	0.6
129.05498	2.8
129.07039	0.6
131.04875	0.5
131.08577	1.9
133.10138	15.7
133.82327	0.5
145.10136	1.5
147.08109	0.7
147.10655	0.9
147.11699	9.3
156.09357	1.0
157.06387	0.6
159.11671	0.6
161.06001	1.7
161.13263	45.3
162.13695	0.6
171.11678	1.4
172.86656	0.5
174.06783	1.0
189.05453	11.2
189.07324	0.9
189.09038	3.2
189.12683	4.5
189.16394	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.79066	0.4
53.50648	0.4
54.09808	0.4
55.05509	2.1
57.07069	0.5
67.05515	1.9
69.03430	2.0
69.07073	1.4
69.52448	2.8
78.02489	0.5
79.05508	2.2
81.03437	0.6
81.07059	10.9
83.04967	1.3
83.08633	0.7
85.02904	0.5
91.05473	4.7
93.07040	2.8
93.93427	0.5
95.08601	11.9
95.09172	0.7
98.21493	1.0
99.04483	0.6
99.75507	0.5
104.59994	0.4
105.07040	12.6
107.08585	4.2
109.10172	3.5
111.04446	0.7
119.08583	100.0
121.10152	1.4
129.03419	0.9
129.05457	1.2
133.09142	0.7
133.10136	11.8
145.10141	0.8
147.11697	7.3
161.05974	0.5
161.13263	46.4
171.11693	0.5
189.05550	3.2
189.07272	0.6
189.09108	0.9
189.12730	1.0
189.16386	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.96568	0.3
61.02925	0.4
67.05515	2.1
69.03433	1.9
69.07056	1.5
69.49371	2.3
79.05497	1.9
81.03428	0.5
81.07056	13.7
83.04978	1.3
83.08620	0.6
85.50047	0.2
91.05479	6.0
93.07043	3.0
95.08610	12.2
96.09061	0.3
99.04481	0.5
103.05449	0.6
104.73377	0.3
105.07034	12.4
107.08593	4.3
109.10163	3.6
111.04434	0.4
112.23700	0.3
117.07037	0.7
119.08581	100.0
120.08852	0.3
121.10114	1.6
129.03375	1.1
129.05478	0.6
131.04904	0.4
131.08656	0.5
133.10130	11.3
145.10143	1.1
146.10890	0.4
147.11691	7.6
160.12497	0.4
161.05923	0.3
161.13260	43.4
171.11633	0.4
174.04198	0.9
174.06740	0.5
189.05371	2.4
189.06917	0.3
189.09119	0.8
189.12752	1.1
189.16385	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04267	0.3
52.51781	0.3
52.58878	0.3
53.03952	0.4
55.05521	1.7
56.96577	0.4
57.03439	0.3
57.07055	0.3
58.69968	0.2
61.02930	0.8
65.03939	0.3
65.13724	0.3
67.05508	2.1
69.03436	3.8
69.07065	1.4
71.05013	0.3
79.05495	2.1
81.03432	0.7
81.07059	12.4
83.04978	1.6
83.08598	0.9
84.08128	0.6
85.02928	0.7
91.05486	5.2
93.07055	2.6
95.08609	10.5
99.04467	0.9
102.03375	0.3
103.05485	0.3
105.07037	13.9
107.08594	4.3
109.10167	3.0
111.04442	0.9
115.05470	0.3
117.07025	0.7
119.08586	100.0
120.08942	0.7
121.10161	1.8
124.97594	0.4
129.03378	2.0
129.05496	1.5
129.07004	0.6
131.04916	0.5
131.08582	0.9
133.06519	0.3
133.10135	11.2
143.08556	0.5
145.06511	0.3
145.10107	0.7
147.04375	0.3
147.06482	0.3
147.11697	7.3
156.09396	0.5
161.06009	0.9
161.09727	1.4
161.13264	46.9
171.11745	0.7
174.06808	0.8
174.10426	0.3
189.05473	5.4
189.07281	0.5
189.09023	1.8
189.12790	3.0
189.16391	25.2
190.06219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03963	0.5
55.05516	1.6
56.96559	0.8
57.03435	0.6
59.87881	0.5
61.02910	0.8
63.30750	0.6
67.05513	2.9
69.03428	5.6
69.07069	1.7
71.05000	0.7
72.08138	0.6
77.51782	0.5
79.05484	2.7
81.03468	0.7
81.07060	12.4
83.04982	3.8
83.08635	0.7
85.02906	0.9
91.05484	5.9
93.07058	4.6
95.08611	15.4
98.21614	1.0
99.04423	1.1
101.29974	0.5
105.07030	15.9
106.96524	0.7
107.08583	5.9
109.10178	4.5
111.04425	1.5
117.07008	1.1
119.08583	100.0
120.08936	0.8
121.10140	1.6
129.03383	3.5
129.05476	2.8
129.07028	0.9
131.04951	0.7
131.08566	1.1
133.10138	14.1
143.08640	1.0
145.10124	2.2
147.06581	0.7
147.08011	0.9
147.10655	0.9
147.11702	8.7
156.09344	0.9
159.11607	0.7
161.05972	1.3
161.13258	44.0
171.11635	1.0
174.06786	0.8
189.05428	8.8
189.09036	3.4
189.12703	5.1
189.16380	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	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.05493	9.5
61.02915	9.2
69.03436	52.4
69.50340	12.4
69.50751	5.3
71.04988	5.8
81.03423	5.7
83.04990	29.7
85.02885	4.6
91.05473	7.5
93.07079	3.4
95.08578	2.7
95.72229	2.3
99.04460	14.9
105.07020	10.6
106.96538	3.7
107.08598	3.9
111.04436	12.6
117.06998	4.0
119.08588	22.0
124.04576	2.4
127.37786	3.0
128.06201	2.9
129.03403	13.0
129.05482	27.2
129.06931	4.0
130.07750	3.9
131.04881	3.9
131.08527	5.1
133.10091	8.0
141.06982	6.1
143.08617	5.0
145.10092	16.4
147.06529	4.3
147.08026	4.5
147.11688	13.9
149.02319	2.5
150.77232	2.2
156.09372	40.3
159.08040	4.9
159.11748	12.0
161.13339	2.8
171.11705	52.8
174.10374	8.2
189.05421	31.5
189.07536	4.2
189.09123	8.7
189.12721	100.0
189.16371	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
69.03427	4.8
69.77180	1.4
70.86673	1.3
71.11829	2.7
83.04971	2.2
84.08131	1.6
86.09721	2.8
91.05474	4.0
98.11511	1.7
105.07021	10.1
107.41350	1.5
117.07020	3.6
119.08582	12.6
128.06184	1.2
129.03368	3.1
129.06953	1.9
130.07803	4.8
131.08577	4.7
133.06511	2.1
133.10146	4.7
141.06993	4.0
143.08560	5.4
144.09370	3.4
145.10141	22.7
147.08032	5.8
147.11690	13.7
155.08546	2.7
156.09364	44.3
159.08040	4.3
159.11700	12.9
160.08893	1.9
161.13269	2.3
171.11705	66.1
174.10445	8.1
183.08968	1.5
189.05464	6.2
189.12750	100.0
200.33952	1.4
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
53.03931	1.9
55.05500	4.3
61.02919	4.6
63.72281	1.2
67.05498	1.2
69.03432	29.3
69.47832	8.7
71.04993	2.9
79.05486	2.4
81.03397	3.4
83.04982	13.9
85.02891	1.5
88.66879	1.2
90.89468	1.4
91.05511	6.1
93.07023	1.5
99.04459	7.7
105.07032	12.9
107.08584	2.2
111.04462	6.5
115.05412	1.3
117.06979	2.8
119.08591	13.9
122.39374	1.1
124.97586	2.2
128.06192	3.0
129.03398	6.7
129.05475	11.4
129.06989	2.6
130.07788	3.5
131.04922	1.4
131.08574	7.9
133.06470	1.4
133.10138	5.7
141.06976	6.4
143.08531	4.7
144.09262	1.9
145.10129	14.9
145.66098	1.1
146.10938	1.4
147.06529	1.8
147.08051	5.8
147.11703	14.2
155.08560	1.7
156.09349	47.7
159.08009	3.9
159.11662	12.4
161.05989	3.5
161.09570	1.7
161.13249	2.6
171.11687	55.8
174.10370	8.6
189.05444	14.8
189.07292	2.5
189.09143	3.1
189.12730	100.0
189.16370	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	189.1234
Annotation	19461-38-2
Peak:m/z	Relative Intensity
62.24981	0.3
62.54516	0.4
69.03444	0.6
69.07069	0.7
70.06581	0.9
70.86285	0.4
70.86600	0.6
75.05597	1.7
76.54537	0.4
83.04970	0.6
84.08148	1.1
86.09708	100.0
87.10017	0.4
110.65573	0.4
113.07414	0.4
120.09750	0.3
129.24405	0.3
132.10210	43.7
134.09714	0.4
143.11801	26.4
171.11310	0.7
177.98833	0.4
189.05597	0.4
189.12337	3.2
205.59785	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	Ile Gly
Peak:m/z	Relative Intensity
55.05509	0.2
56.05027	0.3
56.96574	0.2
57.03447	0.3
60.04541	0.3
60.05645	0.3
60.08151	0.6
62.42289	0.2
67.03720	0.2
69.07071	1.7
70.06596	1.0
70.19360	0.7
72.08147	1.6
76.97166	0.2
84.04527	0.4
84.08139	3.6
85.08493	0.4
86.09710	100.0
87.09531	0.2
87.10020	0.5
108.20849	0.2
129.03374	0.3
130.08662	1.3
132.10179	0.3
189.05458	0.5
189.12331	2.0
189.16020	0.6
191.49066	0.2
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	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.04330	0.4
50.85080	0.4
58.05422	0.3
61.74571	0.3
66.16168	0.4
69.73183	1.8
69.73587	0.9
77.08925	0.4
86.30704	0.4
91.05485	2.8
92.60331	0.4
103.05470	0.8
115.05451	4.1
117.05740	1.0
117.07026	3.9
118.06544	57.6
119.06960	0.5
128.05074	0.5
142.06519	5.3
143.07303	8.6
144.04428	0.9
144.08089	24.4
146.06010	100.0
147.06361	1.1
155.06065	1.2
160.07576	1.2
170.06007	8.0
170.07320	0.6
188.07065	29.7
189.07474	0.7
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
67.98586	0.4
70.16161	1.2
74.81583	0.3
84.04528	0.6
91.05479	2.9
95.47804	0.4
97.25706	0.3
98.20865	0.4
98.97591	0.4
103.05532	0.4
113.34467	0.3
113.49481	0.3
115.05468	4.4
117.05750	1.0
117.07014	4.1
118.06548	57.0
119.06927	0.5
132.08093	0.7
142.06525	5.2
143.07317	9.6
144.04434	0.5
144.08093	23.4
145.06482	0.5
146.06017	100.0
147.06363	0.8
155.06059	0.7
160.07588	1.1
170.06013	8.5
188.07079	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1234
Annotation	27493-61-4
Peak:m/z	Relative Intensity
52.34755	0.2
53.03945	0.4
55.01873	1.0
55.05511	8.7
56.05040	1.9
57.03435	2.6
57.05405	0.3
57.05820	0.7
58.99878	0.3
60.04515	1.2
60.05650	0.4
60.08167	6.6
61.02929	0.6
67.05511	0.9
69.03423	1.4
69.07062	0.5
70.06591	4.5
70.71942	0.7
71.01369	0.4
71.04991	0.2
72.08157	100.0
73.02914	2.3
73.08499	0.5
74.06072	0.8
74.07191	0.5
75.05610	0.3
81.03444	0.7
82.99860	0.3
83.04996	0.5
84.04514	1.4
84.08144	35.8
84.75729	0.2
85.01379	0.4
85.02905	1.0
85.08464	0.7
86.09707	4.6
87.01913	0.3
87.04476	0.7
87.10069	0.4
88.02664	0.3
88.03969	0.3
90.05550	0.4
93.64487	0.3
94.02686	0.4
97.02879	1.3
98.97549	0.4
100.07621	0.3
101.00888	1.9
101.02398	1.4
102.77272	0.2
103.00653	0.4
103.02469	0.8
103.03159	0.3
112.07592	1.1
113.00842	0.7
115.02419	0.5
115.03227	0.3
115.03936	1.4
116.07073	0.7
117.02943	0.5
118.08662	15.2
119.01934	2.2
121.01656	0.5
121.03171	0.2
121.38808	0.3
123.02953	0.3
126.09163	4.7
129.01869	0.4
129.05493	0.3
129.10240	1.6
130.03682	0.3
130.08643	12.2
131.01866	0.8
132.03424	0.2
132.10219	1.3
133.01663	0.3
133.03458	1.1
137.02911	0.3
139.02435	0.4
139.04189	0.3
141.03949	0.5
143.01871	1.5
143.11801	5.3
144.11325	0.3
144.13824	0.8
145.03441	0.9
147.01373	0.4
147.03964	0.4
147.05011	0.6
147.11305	0.3
155.01872	0.7
157.01353	0.9
157.03456	0.8
159.03986	0.5
161.02945	1.4
161.05901	0.3
167.01860	0.4
168.04425	0.9
171.05017	0.3
171.11319	0.3
172.09596	0.3
173.02921	0.8
175.04544	0.4
177.02486	0.3
185.02962	1.5
187.04416	0.4
189.05595	1.5
189.12263	3.8
189.15968	6.7
203.03943	0.5
207.86397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.148
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03949	1.6
55.01863	1.0
55.05505	2.8
56.96547	2.9
57.07083	5.1
61.58046	1.0
67.05483	3.2
68.84241	0.9
69.03408	3.0
71.08627	2.0
71.18307	1.9
73.02928	1.3
79.05495	2.7
81.03418	3.3
81.07057	12.1
83.08634	2.0
84.08144	0.9
85.02895	3.1
85.10175	1.2
86.10487	0.9
88.02223	11.9
91.05470	9.0
93.07062	6.1
95.08607	5.0
99.04431	1.2
103.05445	0.9
105.07036	14.6
107.08582	3.7
109.02850	0.9
109.10119	0.9
114.05518	0.8
115.05439	2.0
116.06248	1.0
117.07031	9.6
119.08605	9.0
119.97340	3.3
127.03915	1.8
127.05858	1.4
127.13165	1.1
128.07130	1.0
128.97827	4.1
129.06979	3.0
130.07753	3.9
131.04932	1.7
131.08572	49.8
131.48048	1.4
132.03854	0.9
133.10109	3.0
140.48642	3.0
143.07497	1.7
143.08557	15.6
144.09386	4.5
145.10130	49.4
151.99442	1.1
157.10164	4.9
158.10922	12.9
159.06953	1.4
159.08121	2.3
159.11703	54.1
169.05038	1.3
172.12453	3.5
173.00751	1.1
187.03932	2.3
187.06061	1.7
187.07484	4.4
187.11215	2.5
187.14832	100.0
187.22456	6.4
188.15170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
51.68211	0.7
53.03926	0.6
54.03518	0.6
55.05504	1.5
56.96566	0.9
57.07064	2.5
67.05499	2.7
67.14925	0.7
69.03427	1.9
69.07067	1.1
69.97227	3.3
79.05486	2.5
81.03405	1.2
81.07068	8.1
83.08623	1.1
84.08159	1.0
88.02219	4.6
91.05497	8.3
93.07053	5.6
95.08620	3.9
98.20748	0.8
105.07040	11.1
107.08595	3.2
113.70249	0.6
113.96297	0.7
114.58356	0.6
115.04703	1.3
115.05462	18.8
116.06244	1.0
117.07023	9.4
119.08588	8.7
119.42355	0.7
128.06206	1.0
129.07014	3.1
130.07773	2.2
131.03937	0.8
131.04939	20.5
131.08569	45.5
133.10143	2.5
143.04939	10.4
143.08566	15.9
144.05637	1.7
144.09360	4.3
145.10135	43.2
157.10138	4.0
158.10912	16.5
159.04398	1.8
159.06909	1.1
159.08095	2.9
159.11705	54.3
169.04955	0.9
172.12543	4.0
185.13179	1.1
187.03917	74.8
187.07399	4.9
187.11215	2.7
187.14838	100.0
188.15147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03638	0.4
53.03925	0.5
55.01870	0.6
55.05501	2.1
56.17629	0.5
56.96576	2.7
57.07082	2.4
61.57716	0.4
62.30442	0.5
65.03916	0.5
67.05505	3.0
68.99786	0.7
69.03419	2.0
69.07077	1.4
70.01240	1.6
70.06589	0.8
71.05007	0.6
73.02904	1.1
79.05485	2.5
81.03431	1.3
81.07063	8.5
83.01360	0.6
83.08612	1.0
84.04510	0.7
84.08138	1.7
85.02906	1.7
85.08466	0.5
86.09714	0.5
88.02223	4.5
91.05484	6.8
91.97113	0.4
93.07048	5.6
95.08604	4.9
96.53509	0.5
97.02853	0.7
99.04442	0.6
101.02364	2.0
103.05513	0.8
105.07039	13.1
107.08604	3.9
110.96803	0.5
113.02402	0.6
115.05451	2.0
116.06232	1.8
117.07018	8.2
119.08595	8.0
119.97346	2.7
123.04426	0.6
127.03947	0.9
127.13146	0.7
127.56460	0.5
128.06229	1.5
128.97832	1.7
129.06990	4.5
130.07800	3.2
131.04932	1.8
131.08578	42.8
131.48102	1.1
133.10138	2.8
137.98354	1.4
140.48634	1.3
141.07005	0.8
142.07776	0.8
143.04919	0.5
143.08568	16.7
143.59541	0.6
144.05707	1.6
144.09358	4.9
145.10135	45.0
146.10776	0.6
149.49171	0.6
157.10178	4.1
158.10927	14.4
159.08141	2.8
159.11699	57.2
160.12050	0.7
166.10107	0.9
172.05142	0.7
172.12445	3.3
177.60880	0.5
185.13318	0.8
187.02342	0.6
187.03920	4.6
187.05467	0.7
187.07529	6.0
187.11432	2.7
187.14833	100.0
188.15186	1.1
202.34140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01879	8.5
55.05512	22.7
56.05028	3.7
56.96569	10.2
57.03427	2.6
57.05804	1.6
57.07070	1.2
60.04531	1.5
61.04852	1.1
67.04249	1.1
67.05509	7.0
69.03439	8.4
69.07081	7.9
69.78586	2.4
69.78997	5.1
70.02948	1.6
70.06599	21.9
70.34302	1.2
71.04983	3.4
72.08160	74.7
73.02878	1.7
74.06087	1.1
76.56232	1.0
76.82146	1.1
79.05498	3.5
81.03424	9.5
81.06596	1.6
81.07066	26.4
82.06581	14.9
83.04974	3.9
83.08629	16.8
84.04502	9.1
84.08151	39.2
85.02919	6.6
85.04037	2.1
85.06542	5.7
85.08470	2.9
86.06052	1.6
86.09711	17.9
88.02228	12.9
88.03986	3.8
91.05486	4.9
93.07034	2.1
94.06570	2.6
95.04964	3.8
95.08613	3.7
96.08157	7.8
97.02912	1.4
97.06544	1.9
98.02431	6.3
98.06025	1.2
98.09702	20.4
98.20855	2.1
98.97588	4.5
99.04463	3.7
99.08151	1.2
99.09217	5.1
100.07613	3.2
101.07141	1.3
102.05543	3.4
104.77250	1.1
105.07039	1.9
107.04918	1.4
108.08112	4.3
109.02885	4.7
109.06544	6.5
109.10184	2.1
110.01308	2.0
110.07169	1.9
111.04438	1.7
112.01534	1.0
112.08729	2.3
113.06009	1.9
115.05461	1.4
115.33022	1.2
116.07102	2.4
116.98634	1.4
117.07012	2.8
118.06534	8.1
119.01833	4.4
119.97372	2.6
121.00801	1.7
121.01637	1.6
123.04366	2.2
123.08057	2.9
124.07603	5.9
124.08424	1.1
124.35580	1.1
125.07130	1.5
126.09172	29.5
127.03942	6.2
127.04888	1.4
127.05851	1.9
127.07671	2.0
127.08689	16.1
127.12317	2.1
127.13184	1.3
128.02333	6.1
128.07106	5.5
128.97836	3.4
129.10255	6.4
130.08641	2.3
131.04965	2.1
131.08588	3.7
131.48068	1.2
137.02884	1.5
137.98369	2.3
140.48618	3.3
141.05475	3.9
141.06975	1.4
141.10220	2.4
142.08641	36.9
142.12234	3.9
144.05721	3.6
144.08089	3.9
144.10229	3.4
145.10141	1.4
146.06015	13.6
151.07553	1.9
151.08662	5.3
152.07060	2.1
155.03406	4.1
158.99661	2.1
159.06947	1.8
159.08083	14.2
159.11421	1.3
161.12837	3.0
163.97723	3.2
164.02097	2.3
169.05064	3.0
169.09738	100.0
170.06033	2.2
170.08174	1.6
170.10280	1.1
170.11771	3.2
173.00891	1.7
175.11877	2.3
176.05232	1.4
181.02844	1.2
182.03221	2.9
187.03923	4.3
187.06068	2.7
187.07541	16.3
187.10854	23.2
187.12576	2.5
187.14426	2.1
188.07100	5.0
189.79056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65237	0.6
55.01869	1.2
57.03426	0.9
58.06580	1.1
58.99876	0.7
61.02905	1.1
67.05517	1.1
69.03413	1.4
69.07053	0.8
69.73608	0.7
70.06602	4.5
71.50675	0.8
72.08134	2.5
73.02895	1.4
77.00905	0.8
81.03418	1.0
82.06584	1.1
82.99834	1.3
83.05008	0.8
83.99902	1.7
84.04495	0.8
84.08141	5.5
85.02879	2.6
86.09690	3.1
89.76595	0.7
97.02876	1.6
98.97525	0.8
100.02451	1.0
101.00882	19.1
101.02571	0.7
102.00950	28.9
103.00655	5.3
104.10737	1.2
105.11076	1.3
109.02876	0.8
110.07146	1.3
111.04448	0.9
113.00850	2.8
115.02434	2.6
117.76524	0.8
118.03474	1.1
119.01929	49.2
120.02014	100.0
121.01665	13.9
123.04406	2.3
125.02569	2.5
125.05947	0.8
126.02220	1.2
127.12347	1.0
130.37852	0.8
131.01186	0.7
131.01923	7.2
133.03441	2.2
134.03622	0.7
137.02965	10.8
138.03059	25.8
138.06355	2.6
139.02663	2.1
142.03506	5.6
143.01823	2.7
143.03618	28.9
144.02036	2.9
144.03247	6.2
144.05023	1.7
145.03445	4.1
149.02971	0.8
150.06352	0.8
150.50417	0.8
153.07454	0.9
155.01888	3.0
156.07642	1.6
157.03490	4.6
160.04602	1.4
161.02963	12.6
161.04659	7.8
162.03098	16.8
162.04330	3.1
162.06104	1.9
163.02644	1.5
166.05101	0.9
167.01962	1.1
167.08961	1.2
173.02989	4.2
175.04411	1.7
179.04028	3.5
180.04132	18.4
181.03633	1.4
185.02942	9.9
185.04439	3.8
185.07861	1.1
185.09277	2.4
186.07523	0.8
203.03955	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	186.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01871	1.6
56.05030	1.9
56.96561	1.5
57.07091	5.3
60.04518	2.0
69.03423	3.8
70.06586	4.3
71.51918	1.2
71.52299	1.2
80.05018	2.5
81.03429	4.7
82.02961	1.0
83.01346	1.2
83.65958	0.9
84.04516	10.5
84.08150	10.7
85.02903	9.4
85.10188	3.8
89.03909	2.1
96.04504	17.8
97.02899	5.7
98.06068	11.6
99.04454	3.0
102.12814	9.2
108.04499	1.7
109.02908	6.1
112.07562	2.7
114.05547	13.8
117.03384	3.6
121.00819	1.3
122.06039	1.0
126.05527	34.0
126.12782	4.4
127.03921	3.9
138.05518	72.3
140.07074	4.4
144.06575	26.4
145.02884	6.0
145.10234	1.0
158.06023	1.4
163.01819	3.0
167.62462	1.0
168.06599	11.0
181.02940	1.8
186.05997	1.8
186.07654	16.8
186.09184	1.4
186.11301	3.4
186.14949	6.0
186.22189	100.0
187.14905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
56.96560	0.7
57.07082	5.0
57.90341	0.4
69.27999	0.9
69.28400	3.1
79.65320	0.4
80.05019	0.4
84.04503	0.5
84.08141	1.8
85.02905	1.9
85.10188	3.6
98.06072	0.4
102.12827	11.8
106.84035	0.4
114.05564	2.2
117.03364	0.6
119.97340	0.8
126.05500	2.2
126.12790	1.4
128.97928	0.5
131.48109	0.5
138.05505	0.4
140.48628	0.6
145.02892	1.0
145.33990	0.4
163.01833	0.7
168.06583	0.4
181.02930	0.4
186.05582	0.5
186.07658	1.1
186.11208	0.5
186.22185	100.0
187.22540	1.3
204.47928	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.6
56.96564	3.6
57.07083	95.6
65.23093	1.3
67.05515	3.0
69.92711	1.4
70.06586	3.6
71.08640	57.1
71.12714	2.6
81.03420	2.0
84.04509	8.0
84.08159	15.6
84.24458	1.5
85.02909	15.0
85.10186	21.5
86.25108	1.5
86.73657	1.3
88.04093	1.4
90.64424	1.4
97.02923	1.6
98.06044	1.9
105.07017	3.4
108.04456	1.5
112.07590	3.7
113.04773	1.4
114.05543	23.9
117.03403	1.8
119.97334	4.7
125.68102	1.6
126.05523	24.4
126.09148	1.6
126.12788	13.2
127.03927	2.0
128.97852	3.1
131.08569	5.8
140.07069	7.3
140.48674	2.1
143.08519	1.7
144.06606	2.9
144.08897	1.8
145.02858	2.5
145.10150	4.6
156.08885	2.0
158.08112	1.6
158.10472	2.7
159.11734	4.6
168.06578	3.1
181.02859	2.7
186.07634	14.3
186.09204	3.6
186.11255	3.9
186.13550	11.3
186.15144	7.0
186.18607	4.9
186.22197	100.0
187.14807	6.9
187.22490	2.1
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
61.02927	0.4
64.55482	0.4
70.32388	1.6
73.02917	1.5
79.57430	0.4
82.01415	0.4
82.99849	6.4
85.02901	1.0
86.09711	0.9
97.02892	0.5
99.36369	0.5
101.00889	55.9
101.01982	1.4
101.33579	0.5
102.00984	1.4
104.10748	4.0
109.02893	0.4
119.01929	100.0
120.02023	1.8
124.02467	4.8
124.99986	0.5
131.01945	0.5
133.03410	0.7
136.52026	0.4
137.02965	16.3
137.04028	1.0
137.06006	1.2
142.03506	26.8
143.01987	3.7
143.02948	1.1
152.07083	0.5
157.03554	0.5
160.04582	4.4
161.02975	17.3
161.04156	6.1
179.03963	11.8
184.04538	1.0
184.06171	1.0
186.03299	0.5
202.05582	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	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05033	1.1
56.96572	0.6
60.08168	15.3
60.95868	1.0
69.03427	0.6
69.22436	2.8
69.22869	2.4
70.03770	0.9
71.07376	7.4
71.95257	0.7
85.19148	0.6
86.09711	79.2
89.10287	0.6
98.98472	12.7
101.00906	1.0
101.54700	0.5
101.95036	39.1
101.97160	0.9
102.96889	1.8
104.10741	2.6
119.01942	2.1
119.96077	14.4
119.98834	0.8
120.97911	1.5
125.00009	65.6
137.02989	0.6
137.97107	6.0
137.99907	0.7
138.09161	0.9
142.97702	2.9
147.68849	0.5
155.98192	1.1
160.98686	4.9
161.04680	0.8
166.08665	0.9
178.99774	1.6
184.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28515	0.9
55.05479	1.3
56.15199	1.0
57.03423	1.1
58.06594	4.0
60.13715	0.9
61.02924	1.9
69.03430	1.2
70.06584	3.6
71.51105	0.9
72.08154	2.3
73.02898	2.8
77.00883	0.9
77.34286	1.0
82.99844	2.9
83.99936	2.8
84.08147	67.0
84.99585	1.1
85.02906	2.3
86.09708	9.4
95.54846	1.0
96.08131	1.7
98.97515	1.1
100.66496	1.1
101.00890	22.3
101.01933	1.3
102.00948	39.4
102.96862	2.3
103.00650	6.8
104.03950	1.1
104.10719	1.4
105.11071	2.4
109.02910	0.9
110.07136	2.7
112.08699	1.3
113.00875	4.9
115.02428	2.2
119.01927	52.0
120.02009	100.0
120.98034	1.1
121.01655	14.0
125.02540	2.9
125.07103	1.1
126.02251	1.1
127.02451	1.3
127.03995	1.0
127.12320	22.6
131.01894	7.6
133.03467	2.0
137.02950	10.1
138.03053	23.9
138.04123	1.0
139.02664	2.1
140.10704	2.1
142.03491	5.8
143.01878	3.9
143.03629	29.3
144.02028	5.7
144.03233	7.8
144.05006	6.2
145.03453	3.6
155.01881	5.8
156.07652	1.3
157.03485	4.1
160.04572	1.3
161.02977	10.8
161.04814	5.9
162.03082	20.2
162.04260	9.0
162.06107	3.2
163.02650	2.2
166.05243	1.1
167.02016	1.1
167.15474	3.5
168.13873	1.8
173.02954	5.1
175.04482	2.0
179.04045	3.3
180.04089	16.2
181.03746	1.6
185.02940	4.3
185.04364	4.1
185.05922	2.0
185.09270	1.4
185.12796	2.2
185.16513	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.1
69.88604	0.6
69.89237	2.3
77.04002	0.7
91.05487	31.4
93.07079	0.8
94.06557	1.0
95.04976	11.9
103.05495	0.8
106.78101	0.8
107.04984	1.0
109.06508	1.7
114.62986	0.7
118.06525	0.9
119.04953	37.2
121.06509	1.5
123.04436	52.8
136.07587	100.0
137.07922	1.0
147.04414	18.7
153.05432	0.7
165.05487	35.8
182.08173	3.6
182.10748	1.1
192.25424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	Tyrosine
Peak:m/z	Relative Intensity
65.03942	1.1
69.88604	0.6
69.89237	2.3
77.04002	0.7
91.05487	31.4
93.07079	0.8
94.06557	1.0
95.04976	11.9
103.05495	0.8
106.78101	0.8
107.04984	1.0
109.06508	1.7
114.62986	0.7
118.06525	0.9
119.04953	37.2
121.06509	1.5
123.04436	52.8
136.07587	100.0
137.07922	1.0
147.04414	18.7
153.05432	0.7
165.05487	35.8
182.08173	3.6
182.10748	1.1
192.25424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79885	0.3
71.36008	0.5
71.36344	0.4
72.08176	0.6
82.01419	0.4
82.99844	7.2
101.00887	58.2
102.00974	1.4
104.10751	0.4
110.07167	0.4
111.00436	0.5
119.01927	100.0
120.02056	1.6
124.02459	4.9
133.01659	0.4
137.02966	14.5
139.44519	0.4
142.03506	29.3
143.01917	1.5
143.03671	0.8
149.06210	0.4
156.07674	0.6
160.04558	4.0
161.02963	16.3
165.18344	0.5
179.04021	14.3
184.04619	0.7
184.06223	0.4
185.02963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11697	0.4
70.02781	0.4
70.30700	0.6
70.31044	0.8
82.99847	6.6
98.77737	0.3
100.02455	0.5
101.00890	57.9
102.00990	0.7
110.15842	0.4
112.86664	0.3
119.01929	100.0
120.02025	1.3
121.02352	0.5
124.02454	5.1
137.02969	14.9
142.03511	28.2
143.01909	1.2
143.03598	0.9
160.04578	3.4
161.02971	14.1
161.04349	0.5
179.04027	13.8
184.04649	0.7
192.43341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01867	0.9
55.05499	3.0
57.03425	1.1
57.07079	29.3
58.50087	0.8
59.04990	2.9
66.45712	0.8
67.05508	1.4
69.03423	1.4
69.07056	4.4
71.12535	1.5
79.05485	8.0
81.03416	7.4
81.07069	4.5
83.04985	57.3
91.05457	2.3
93.07055	4.9
95.04382	1.4
95.04971	18.4
97.05926	1.6
97.06533	27.7
98.97594	6.2
99.05565	1.8
105.07018	3.2
107.04937	2.0
107.08598	8.0
116.98624	4.1
117.07007	1.3
119.08568	2.5
121.06522	2.4
121.10130	10.2
123.08086	1.4
125.05999	93.5
130.07841	1.9
135.08041	0.9
135.11684	5.1
140.00198	1.0
145.10117	7.6
163.11185	100.0
164.11494	1.4
181.06178	0.9
181.12241	39.7
187.94434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03943	2.9
55.01866	1.5
55.05510	8.8
56.96571	8.5
57.07064	3.5
65.03926	1.7
66.75440	0.9
67.05504	6.4
67.83749	0.9
69.03423	2.3
69.07061	2.9
69.82069	3.9
69.82491	1.7
71.04999	2.0
71.95265	1.4
79.05493	7.4
81.07065	7.3
82.64227	1.0
83.04996	5.8
83.08618	1.8
85.06517	1.3
91.05486	16.1
93.03404	1.7
93.07050	27.2
95.04985	7.0
95.08614	13.6
97.06541	12.6
98.21442	1.3
98.97591	100.0
103.05447	5.7
105.04523	1.8
105.07035	5.6
106.04198	2.1
107.04981	1.8
107.08599	21.8
107.28393	1.0
109.06522	4.1
109.10153	2.8
111.04459	20.0
111.06342	1.0
111.08108	8.1
113.92938	0.9
116.98627	49.0
117.07017	1.7
119.04936	6.3
119.06053	1.4
119.08569	2.6
121.06522	16.4
121.10168	4.9
123.08051	2.9
125.06004	59.3
125.09630	1.6
134.03625	1.8
134.99664	16.4
135.04466	1.9
135.08090	7.7
135.11699	22.2
137.05968	2.1
138.06746	6.3
139.07549	4.0
140.00208	6.5
145.10133	12.1
149.06007	9.6
153.00734	1.6
153.09109	2.2
153.12759	5.5
158.01291	4.1
163.03888	3.0
163.11201	17.2
181.05086	4.7
181.07167	2.0
181.08855	4.9
181.12241	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05500	4.2
56.96540	5.5
57.07082	32.5
59.04998	3.3
60.29608	1.6
67.05498	3.1
69.07056	6.1
69.55978	2.7
69.56392	7.5
71.95258	2.5
79.05490	11.6
79.92207	1.4
81.03416	5.7
81.07039	5.6
83.04499	3.3
83.04987	64.3
83.35708	1.3
85.06521	1.8
91.05490	4.1
93.07030	6.8
95.04971	18.1
97.06541	35.7
97.07598	1.8
98.97588	68.0
105.07019	5.9
107.04928	2.0
107.08598	10.3
116.98626	56.4
117.06976	1.6
119.08573	3.4
121.06515	1.5
121.10148	12.5
125.06006	94.6
134.99678	25.3
135.08029	1.7
135.11670	4.5
140.00218	10.7
145.10138	11.9
148.08809	1.6
153.00682	2.6
154.08577	1.5
158.01276	13.9
163.11192	100.0
181.02820	2.3
181.07222	2.0
181.10779	1.9
181.12253	42.5
181.13908	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03941	1.2
55.01876	1.5
55.05511	1.7
56.96561	1.8
57.07079	32.6
59.04988	4.4
67.05492	1.5
69.07059	4.3
70.68753	1.9
70.69125	1.9
70.73639	0.8
71.95242	1.3
79.05498	8.8
81.03427	9.0
81.07060	5.5
83.04984	59.1
84.71453	0.9
91.05447	2.6
92.96571	1.0
93.07049	6.2
95.04981	18.3
97.05936	1.7
97.06536	29.3
98.97589	40.7
105.06342	1.0
105.07025	4.1
107.04957	2.8
107.08589	8.7
116.98623	18.6
117.07025	2.7
118.92525	0.9
119.08559	3.2
121.06518	2.0
121.10164	10.3
125.06001	100.0
126.06329	1.0
134.99677	6.0
135.11711	4.9
138.30872	1.1
140.00166	5.6
145.10123	10.5
155.27567	0.9
158.01253	3.5
163.11189	94.5
164.11502	1.2
181.12244	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
51.80058	1.0
51.87384	1.0
53.03965	1.0
55.05513	2.4
56.96563	2.6
57.07080	35.8
59.04982	2.2
67.05505	1.4
69.07047	4.0
70.07486	5.6
73.10598	1.3
74.66811	1.4
79.05505	8.5
81.03407	6.5
81.07052	4.1
83.04986	61.1
91.05465	1.6
93.07062	7.2
93.97636	1.2
95.04385	1.3
95.04978	17.3
97.06536	30.5
98.97596	43.3
105.07016	4.2
107.04956	3.4
107.08608	7.4
116.98629	21.7
117.07001	2.4
119.08585	2.6
121.06509	3.6
121.10120	8.0
125.06002	94.2
125.35709	1.1
134.99666	7.1
135.11694	4.9
140.00246	5.9
145.10130	9.5
158.01219	2.5
160.76309	1.2
163.11192	100.0
181.12241	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	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02363	1.1
53.03937	2.0
55.01875	6.5
55.05512	6.2
56.96545	3.3
57.03437	6.4
57.07067	1.3
57.55720	1.1
59.04985	1.5
62.69538	1.0
65.03922	1.7
67.05507	26.0
69.03412	2.3
69.07072	6.0
69.64593	1.7
69.64890	6.6
71.04984	3.6
78.63580	0.9
79.05491	22.7
81.07060	74.9
83.04992	6.9
83.08633	2.5
85.06557	5.9
91.05482	28.9
93.07050	32.1
95.04955	3.7
95.08609	65.7
97.06530	12.6
97.80291	1.1
99.08086	8.3
105.03384	5.2
105.07037	28.5
107.08593	17.7
109.06516	5.4
109.10122	4.9
111.08090	3.7
112.07642	1.1
115.52639	3.0
117.07007	2.2
119.04935	11.2
119.08585	48.1
121.10155	16.8
123.04427	1.2
123.08081	6.4
123.11681	1.2
126.02566	1.2
133.06476	2.1
133.10135	32.7
133.11113	2.1
135.03139	1.1
135.11693	30.8
137.09608	3.2
137.13258	3.0
137.53372	1.4
144.03644	1.7
146.53827	1.1
147.04408	15.8
151.11214	2.1
151.14763	1.1
161.05974	3.2
161.13260	91.1
162.09172	1.1
171.81111	1.0
179.03462	2.1
179.07143	7.3
179.14317	100.0
180.14604	1.4
195.08850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	beta-PHENYL-gamma-Aminobutyric Acid
Peak:m/z	Relative Intensity
69.24126	0.6
69.33420	0.6
70.06596	0.6
71.50731	1.2
72.08136	0.6
84.08144	1.8
84.84950	0.6
85.02912	0.8
86.09702	1.6
91.05466	4.1
95.08617	0.8
98.97578	4.6
102.49496	0.6
103.05437	0.9
105.07043	1.0
107.04945	1.2
115.05463	8.8
116.98594	2.0
117.07023	58.6
119.04932	1.2
120.01869	0.5
123.04460	1.1
130.08618	0.7
133.03459	0.7
133.06444	0.6
134.03561	1.3
134.06018	0.6
135.04419	1.6
135.08055	2.0
137.05981	12.1
145.06488	93.5
146.06813	0.8
148.05128	0.9
150.05478	0.7
151.07542	5.0
155.06055	1.6
157.03500	1.6
162.09135	0.7
163.07550	100.0
164.07867	0.9
175.04527	0.9
180.10207	93.4
181.10585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
63.12008	0.6
70.54623	1.6
70.54984	0.8
75.61128	0.6
82.01453	1.8
82.99850	3.9
91.05486	0.8
97.01398	0.7
100.02492	2.0
101.00890	43.9
115.00595	1.2
115.02445	6.5
115.52641	2.0
119.01930	100.0
120.02050	2.1
133.01666	2.7
133.03487	10.3
135.03064	0.7
137.02969	14.8
138.04041	0.9
142.03513	1.5
143.01932	2.1
144.03723	1.1
147.04402	0.7
151.04530	1.8
156.03278	1.5
156.05077	9.1
161.02965	33.4
174.06116	1.0
179.04030	34.6
180.04269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	Isoferulaldehyde
Peak:m/z	Relative Intensity
53.03941	0.8
55.01875	32.0
56.96548	1.9
57.03409	0.9
65.03929	2.5
67.05482	1.1
70.48868	2.2
74.84794	0.6
75.71507	0.6
78.84975	0.6
79.02954	0.6
79.05485	5.1
81.07036	1.1
91.05486	44.0
91.26334	0.6
93.07026	1.5
94.04202	0.8
95.04956	3.8
95.08612	1.9
102.53321	0.7
103.05476	4.6
105.03368	1.4
105.07033	20.0
106.52127	2.1
107.04942	2.3
108.05745	1.6
115.05450	3.9
115.52623	1.4
117.02093	0.8
117.07017	0.8
118.04164	5.8
119.04945	55.1
119.08627	1.2
120.05276	0.8
121.10118	1.1
122.88836	0.6
123.04410	4.3
131.04955	1.7
133.06499	21.9
133.10149	2.2
135.03210	1.5
135.04474	1.7
136.05214	9.0
137.06000	2.5
143.05991	0.8
144.03687	1.1
146.03633	11.2
147.04413	100.0
148.04770	0.9
151.03856	1.0
151.07553	1.5
153.09094	0.7
159.36194	0.6
161.05984	56.2
161.13351	1.9
164.04678	2.1
166.90833	0.7
179.03448	2.8
179.07051	58.4
179.10506	1.4
179.14311	1.8
181.88092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.03939	0.4
55.01865	1.1
56.03269	0.3
56.96571	0.6
57.03419	0.6
60.78997	0.3
62.25035	0.3
65.03912	0.2
66.12389	0.2
67.05504	0.6
71.05888	0.6
77.03925	0.7
79.05476	1.2
81.03395	0.3
89.03915	1.8
91.05479	2.0
92.98637	0.4
95.04960	1.0
97.51579	0.2
99.39660	0.3
105.03396	5.9
105.07019	0.8
106.52115	2.0
107.04973	0.3
109.02897	0.3
111.05573	0.3
111.77856	0.3
115.52648	2.2
117.03365	1.3
119.04970	1.8
119.08545	0.8
123.04431	30.5
133.02861	19.4
133.03651	0.3
133.03940	0.3
133.06473	0.7
133.10153	0.7
134.03186	0.3
135.03172	0.9
135.04407	3.0
135.08073	0.3
144.03690	0.9
147.03445	0.3
147.04437	3.0
151.03911	8.2
151.78387	0.3
155.54422	0.5
161.05925	0.5
161.09641	0.5
164.54970	0.8
177.14098	0.3
179.03398	100.0
180.03706	0.9
195.08737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.04
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01936	0.3
53.75827	0.4
55.01868	1.7
55.05510	1.8
56.05043	2.6
56.54307	0.4
56.96564	0.5
57.03435	1.8
57.07080	0.6
58.06598	1.9
58.75982	0.4
58.83622	0.4
58.99866	0.4
59.04994	0.6
59.07383	1.2
60.04529	3.9
60.08168	1.4
60.25933	0.4
61.02913	0.4
65.03941	0.6
67.05507	4.2
68.05015	0.5
69.03430	2.2
69.05799	0.4
69.07067	1.4
69.99710	1.6
70.02946	0.7
70.06592	12.7
71.06934	0.6
72.08152	8.1
73.02928	1.4
74.06081	0.8
75.09348	0.4
79.05486	0.8
81.03420	0.8
81.07048	0.6
82.01448	2.0
82.99851	1.6
83.04985	0.4
83.06110	1.0
84.04503	8.0
84.08144	28.9
84.10256	0.3
85.02908	1.6
85.06538	2.5
85.08485	1.0
86.09710	5.8
88.04004	0.4
91.05476	2.4
92.07878	4.9
93.04504	0.8
95.04972	1.6
95.06066	0.8
95.08569	0.4
96.04490	0.5
96.08128	1.5
97.01389	0.5
97.02886	1.4
97.08927	0.8
100.02480	4.6
101.00881	31.1
102.00970	0.7
103.02464	1.1
105.07030	1.5
106.06597	0.6
106.52118	0.9
108.04488	0.7
110.07166	11.5
111.05530	0.5
111.07462	0.6
112.07612	0.5
115.00633	0.9
115.02435	4.0
115.05470	1.1
115.52649	1.6
116.07079	0.9
117.07004	4.3
118.03550	2.0
119.01920	100.0
119.04900	3.1
120.02003	1.9
121.01626	0.7
121.02376	0.5
123.04394	0.6
124.07574	1.3
129.10236	4.4
130.08676	2.3
131.01903	1.5
133.01709	3.2
133.03474	9.7
133.06499	1.9
133.08490	0.6
133.10121	0.5
134.06029	0.8
136.07591	0.5
137.02956	24.2
137.05974	1.4
137.71118	0.4
138.03046	0.4
138.04045	1.1
138.06586	0.5
138.96414	0.6
139.02417	0.5
141.10213	0.8
142.03497	1.3
142.08633	1.5
143.01917	1.1
144.03725	0.7
145.06493	6.6
147.04376	4.8
147.11301	1.6
147.61278	4.7
150.06754	1.0
151.02603	0.6
151.04553	1.8
151.07558	0.7
152.07080	5.1
152.08173	0.7
155.01933	0.5
156.02094	0.5
156.03227	2.0
156.05037	5.5
156.07712	3.7
156.97496	2.0
157.03474	2.0
161.02959	28.4
161.05975	1.3
161.07898	0.5
162.09157	0.9
163.07541	6.0
163.99951	0.5
169.09724	1.6
173.02986	0.6
174.03065	0.9
174.06175	1.1
174.98550	2.0
175.04596	0.6
179.02315	1.9
179.04008	34.8
179.06898	1.4
179.09035	3.1
179.10513	0.8
179.12872	3.6
179.63014	0.5
179.99052	3.2
180.04033	0.6
180.06657	0.6
180.10201	5.1
183.11333	0.6
183.14963	1.5
184.04581	1.2
197.03169	0.6
198.00171	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02377	0.3
53.03944	0.5
55.01869	0.3
57.07079	4.4
63.02387	1.2
64.07226	0.3
65.03935	0.4
70.95589	0.5
78.04714	2.1
78.23199	0.3
79.05505	0.4
83.70464	0.2
85.06552	2.2
89.03924	34.9
90.04266	0.4
91.04066	0.3
91.05488	3.0
93.07038	0.9
93.62670	0.2
95.04963	0.4
98.97601	0.6
98.98460	0.4
102.35290	0.3
103.05499	1.9
105.03428	0.4
106.04191	3.1
107.08573	0.7
114.25526	0.3
117.03388	66.5
118.03708	0.8
119.04938	0.7
120.71825	0.3
121.06519	1.1
121.10120	0.8
129.04491	0.5
131.04924	0.4
134.03641	8.0
135.04425	3.5
145.02855	100.0
146.03217	0.8
149.05989	21.3
150.06288	0.3
158.06023	0.8
159.10202	0.6
162.03143	1.4
163.03870	1.6
177.05479	33.8
178.06183	0.3
178.08675	0.4
182.67987	0.3
186.05528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03969	0.3
56.74382	0.3
59.42234	0.3
62.95662	0.3
63.02391	1.0
64.23076	0.3
65.03935	0.4
70.68221	0.8
71.91576	0.3
77.33413	0.3
78.04708	2.5
79.05456	0.3
84.57398	0.3
89.03924	31.0
90.04276	0.4
91.05481	2.9
93.07047	0.6
103.05466	1.4
105.03396	0.7
105.07034	0.4
106.04183	2.6
117.03389	63.8
118.03690	0.5
119.08639	0.4
121.06498	1.3
129.04486	0.5
130.06578	0.4
131.04887	0.5
131.08586	0.4
134.03641	7.1
135.04437	3.8
145.02855	100.0
146.03168	1.1
149.05994	19.6
158.06009	0.4
162.03099	0.9
163.03891	1.1
177.05484	32.5
177.12579	0.5
186.05559	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03946	2.5
55.05513	10.5
60.86904	1.3
67.05505	7.9
69.07076	32.6
69.51147	6.3
79.05499	22.3
79.88976	1.4
81.07063	100.0
83.08626	8.8
89.03912	5.9
91.05482	8.1
93.07050	34.4
95.08616	50.9
97.10175	6.4
98.20792	2.4
98.98457	4.7
105.07027	4.0
107.08603	87.2
109.10168	14.4
117.03381	9.3
121.10152	75.1
135.11699	16.7
145.02850	14.7
149.05988	4.4
149.13289	6.8
159.15733	1.4
177.05478	7.0
177.06813	2.0
177.07515	1.8
177.10367	1.7
177.12936	2.9
177.16399	99.5
186.05537	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	3-indolylethylene glycol
Peak:m/z	Relative Intensity
51.43702	0.2
56.96570	0.5
68.05019	0.6
70.67435	0.5
70.67785	0.3
74.08582	0.3
79.05463	0.5
81.07063	0.2
84.08119	0.5
91.05455	0.4
103.05497	0.4
103.06150	0.2
105.07017	1.0
109.06496	0.6
110.07156	0.7
115.05437	0.7
117.05757	0.7
118.92020	0.3
119.04926	0.3
120.00643	0.3
122.09658	0.4
131.04929	0.7
131.83304	0.3
132.08098	2.1
133.06485	1.2
134.78108	0.3
135.04416	3.1
136.07509	0.3
136.93150	0.7
137.05998	1.6
143.04922	0.8
149.06015	0.7
150.09148	0.8
151.07585	0.4
154.94170	0.7
160.07596	2.1
161.05948	0.8
162.05484	0.6
162.33879	0.3
163.06290	3.7
172.95236	0.8
178.08636	100.0
179.08971	0.9
190.96333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02382	0.4
53.03947	0.5
54.44532	0.4
58.01551	0.4
63.02380	1.2
65.03922	0.4
65.59543	0.4
69.07073	0.4
69.68097	2.1
78.04713	2.2
80.57596	0.3
81.07061	0.4
82.29640	0.4
89.03922	32.5
91.05495	3.3
93.07065	1.2
95.04958	0.7
95.08588	0.7
98.21499	0.7
98.98476	0.7
103.05463	1.4
105.04494	0.5
106.04185	4.2
107.08610	0.6
117.03385	65.4
118.03709	0.6
121.06510	1.7
121.10145	1.1
124.05193	0.6
131.04959	0.5
134.03647	8.0
135.04445	2.9
145.02850	100.0
146.03181	1.3
149.05988	22.3
149.96074	0.4
150.06296	0.5
158.06067	0.7
162.03143	2.2
163.03876	1.8
177.05481	35.2
177.12794	0.4
177.16412	0.7
185.13712	0.4
186.05449	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
62.01586	0.3
63.02390	0.9
69.40265	2.2
77.03963	0.3
77.85136	0.3
78.04720	1.9
80.39662	0.3
86.00676	0.3
89.03922	34.4
91.05486	2.4
93.07057	0.5
94.71738	0.3
103.05492	1.8
106.04176	3.2
107.04963	0.4
117.03387	67.9
118.03774	0.6
119.05005	0.4
121.06518	0.8
124.05294	0.3
131.04974	0.4
131.08543	0.3
134.03647	8.1
135.04442	3.1
136.52969	0.3
145.02853	100.0
146.03146	0.7
147.04535	0.3
149.05991	20.0
158.06050	0.9
162.03119	1.2
163.03877	1.4
177.05478	31.9
186.05548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.02392	0.2
51.95461	0.2
53.03946	0.3
55.23046	0.1
62.01581	0.3
63.02351	0.9
71.11797	0.4
73.42368	0.2
74.94739	0.2
77.03923	0.3
78.04717	2.0
79.05478	0.3
81.07552	0.2
89.03918	32.9
89.58791	0.2
90.04256	0.3
91.05482	2.2
93.07059	0.4
95.04955	0.6
103.05472	1.5
105.03390	0.4
105.04521	0.3
106.04175	2.7
117.03381	67.6
118.03727	0.6
119.04953	0.4
121.06502	0.6
124.05206	0.6
131.06924	0.3
134.02832	0.1
134.03632	6.5
135.04428	3.0
145.02847	100.0
146.03192	0.9
147.04431	0.3
149.05981	20.5
150.06337	0.2
158.06007	0.3
162.03096	1.0
163.03903	1.2
177.05475	30.6
178.05815	0.2
186.05478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.43816	0.3
62.99753	0.4
63.02386	1.3
69.61464	2.3
69.61852	0.8
78.04728	2.2
79.05495	0.5
83.69147	0.4
89.03922	28.9
91.05482	2.2
93.07029	0.6
95.04987	0.6
98.20809	0.9
103.05466	1.1
105.04669	0.4
106.04177	3.4
117.03386	63.7
118.03675	0.5
119.04898	0.6
121.06492	0.5
124.05175	0.6
130.37856	0.4
134.03642	6.3
135.04428	2.9
135.96103	0.4
145.02852	100.0
146.03186	1.1
149.05986	20.8
162.03157	0.8
163.03918	1.1
177.05481	34.3
186.05518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0549
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	0.6
60.54250	0.4
63.02399	1.3
65.63052	0.4
66.54900	0.4
70.95510	0.6
78.04721	2.6
89.03923	35.8
91.05499	2.8
93.07034	0.8
103.05472	1.3
106.04194	3.8
117.03388	68.7
119.04933	0.5
121.06501	0.9
121.10210	0.4
129.04498	0.4
134.03636	8.6
135.04443	3.2
135.05385	0.5
145.02855	100.0
146.03203	1.5
147.04443	0.5
149.05992	22.7
162.03192	0.9
163.03908	1.2
177.05482	35.8
178.05814	0.7
178.08536	0.4
186.05531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29781	0.4
52.99526	0.4
53.03941	0.6
56.46440	0.4
60.90171	0.4
63.02400	0.6
70.64105	0.9
76.51105	0.4
78.04709	2.6
79.90792	0.4
84.14581	0.4
89.03919	33.4
91.05038	0.4
91.05508	3.2
93.07043	0.9
95.08636	0.8
103.05447	1.9
106.04173	4.9
117.03384	64.9
119.04935	0.5
121.06485	0.9
124.05194	0.5
134.03638	7.8
135.04440	2.1
145.02852	100.0
146.03198	1.2
149.05989	22.4
150.06421	0.4
158.06007	0.6
162.03136	1.1
163.03888	1.1
177.05481	33.4
177.16292	0.4
182.77435	0.4
186.05556	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21607	0.5
55.05514	5.6
56.26093	0.6
57.07080	1.0
58.57923	0.6
59.84551	0.6
60.05648	0.7
62.09531	0.5
67.05492	1.7
69.07075	19.3
69.85287	2.8
70.06588	1.8
77.48671	0.5
79.05474	1.7
81.07072	4.3
83.08627	3.7
87.04460	0.5
91.05487	7.6
93.07042	2.5
95.08609	4.0
97.02910	1.8
98.21476	0.6
98.98464	3.6
103.05463	0.8
105.07044	19.5
107.08611	5.5
117.07021	2.1
119.08592	70.0
120.08881	0.5
121.10159	2.3
131.08554	3.2
133.10143	62.1
134.10623	0.7
135.11699	0.7
145.10153	4.4
146.10928	1.5
147.08040	1.2
147.11694	8.3
148.12141	0.6
148.38374	0.6
160.12506	3.1
173.13277	1.7
175.06125	0.6
175.07587	1.7
175.14841	100.0
176.15204	1.3
186.68803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42914	1.0
60.05656	1.1
66.43839	1.1
70.06585	2.1
70.72324	2.5
71.06927	1.5
98.20896	1.1
118.08657	1.2
120.02023	1.1
132.02121	100.0
134.03633	1.3
176.01109	29.6
176.04622	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	176.0709
Annotation	3-Indoleacetic acid
Peak:m/z	Relative Intensity
50.01580	0.1
56.96587	0.2
57.17223	0.1
57.50829	0.1
69.47131	0.3
69.47554	0.6
77.03910	0.2
89.03915	0.9
91.05482	0.3
92.50392	0.2
103.05469	1.9
106.04185	0.3
117.03377	1.7
117.05787	0.2
118.06537	0.1
120.08891	0.4
121.06462	0.2
130.06537	100.0
131.06841	1.3
134.03682	0.3
134.10550	0.2
145.02856	2.4
148.07468	0.2
149.05977	0.7
158.05980	0.3
161.05891	0.2
171.09186	0.3
176.07072	6.6
176.10579	0.2
176.15230	0.3
177.05478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05654	41.5
69.94115	0.6
69.94462	1.6
70.06597	100.0
71.04997	1.3
72.08162	4.7
84.08154	3.1
96.90971	0.4
97.07687	0.7
98.06041	1.0
112.08741	4.4
113.07152	0.7
114.10327	1.0
115.08698	0.9
116.07102	36.6
119.48977	1.0
128.49530	1.7
130.08719	1.1
130.09767	15.6
130.12291	0.4
130.99779	0.8
133.03442	0.5
137.50031	1.8
138.00078	0.7
140.00310	2.8
140.50365	0.8
149.00830	3.5
149.50803	0.7
156.97537	0.8
157.10849	2.4
158.09261	10.5
158.39003	0.4
165.76131	0.4
169.70645	0.4
174.89609	0.6
175.11920	40.4
175.14388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05515	6.7
57.07072	0.9
59.05018	0.5
60.05654	0.9
67.05517	1.6
69.03432	1.0
69.07072	19.4
70.06597	3.1
70.56087	1.5
77.03899	0.5
79.05495	1.6
81.07057	5.2
83.04960	0.5
83.08630	3.3
83.79114	0.5
85.02885	0.6
91.05485	8.7
93.07058	2.0
95.08614	4.3
97.02899	2.1
98.98470	3.8
103.05462	0.9
105.07037	22.7
107.08609	4.9
111.04447	0.7
115.05450	1.6
116.07072	0.9
117.07007	3.3
119.08588	76.0
121.10152	3.0
122.38571	0.4
127.03883	0.8
129.07037	1.0
130.09784	0.5
131.08594	3.1
132.05710	0.5
132.09306	0.9
133.10135	66.2
134.10452	0.7
135.11639	0.6
145.10139	5.7
146.10907	1.3
147.04366	0.7
147.08049	0.6
147.11697	9.5
158.10934	0.6
159.11719	0.7
160.05191	1.6
160.12482	3.5
173.13272	3.2
175.06140	0.6
175.07536	4.5
175.14833	100.0
176.15160	1.1
194.45477	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
55.05499	0.6
56.96559	0.6
57.03441	0.5
57.07077	14.1
58.06608	2.8
60.04513	1.1
61.02409	0.3
62.06092	13.8
64.13971	0.3
68.05036	0.3
69.07053	0.8
69.27875	1.4
69.28300	1.0
70.06577	0.5
70.95842	0.4
71.08636	10.9
73.02925	0.3
79.05470	0.3
81.07045	0.7
82.06577	0.5
82.66939	0.3
84.04498	0.5
84.08131	0.6
85.02892	0.6
91.05482	0.7
96.04521	0.8
97.02892	1.7
98.20735	0.6
98.98470	0.6
105.07008	0.9
107.08587	0.3
111.98457	0.4
114.05500	1.1
115.03901	0.7
115.05451	0.3
116.05794	0.4
118.06515	0.7
119.08593	2.0
128.07092	0.3
128.10716	0.4
130.06535	0.9
132.08093	0.9
132.95844	0.9
133.10114	3.0
139.46744	0.4
146.06012	0.9
147.11717	0.5
148.47179	0.3
150.96887	0.8
156.17488	10.3
160.05382	0.3
169.61856	0.3
174.05470	0.5
174.07660	1.7
174.08952	0.5
174.12701	2.8
174.18541	100.0
175.07512	1.0
175.14804	1.9
175.18927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
50.03751	0.6
51.55112	0.6
60.05650	41.0
63.26425	0.5
67.83846	0.5
70.06594	100.0
70.34984	1.4
71.05003	1.5
71.06924	0.9
72.08162	5.5
82.99840	0.7
84.08158	1.6
85.01416	1.7
98.06068	0.7
101.00876	3.9
103.02454	3.8
104.82623	0.5
112.08720	5.1
113.00829	0.7
113.07122	0.7
114.10279	1.4
115.02435	1.9
115.08703	1.0
116.07094	34.7
119.01929	6.1
121.03532	1.1
130.08818	0.5
130.09766	14.0
131.01935	1.0
132.04399	0.6
133.03473	9.9
137.02988	0.6
145.03442	3.2
151.04491	1.7
157.03493	0.8
157.10838	2.0
158.06039	1.0
158.08015	0.8
158.09258	9.5
175.04538	20.3
175.11906	41.2
176.04782	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
55.05505	0.6
60.05649	40.8
70.06593	100.0
70.51821	0.9
70.52148	0.7
71.04995	1.4
72.08156	15.1
84.08139	1.7
85.01414	1.1
94.04888	0.5
97.07663	0.9
98.06043	1.2
98.20837	0.5
101.00880	2.2
103.02467	1.3
105.07998	0.6
112.08713	5.2
114.10308	0.8
115.02467	1.0
115.08673	0.9
116.07096	33.4
118.08639	1.8
119.01949	2.8
126.51639	0.5
127.10974	0.5
129.10231	1.6
130.08766	0.5
130.09756	13.7
130.10738	0.7
133.03479	3.9
139.52592	0.6
141.06636	0.8
145.03513	0.8
151.04581	0.6
157.10863	2.1
158.09256	8.9
175.04546	7.4
175.11911	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
50.02316	0.7
53.03947	2.4
55.05512	11.1
56.05035	2.0
56.96554	1.5
57.07073	1.0
57.45932	0.8
58.06602	0.8
59.04991	1.8
60.04527	4.2
62.63195	0.6
65.03912	1.6
67.05524	5.1
69.03445	0.9
69.07050	2.6
69.37024	5.7
70.06596	4.0
70.07419	1.1
71.04979	1.8
72.08148	2.3
72.93789	19.6
74.06070	1.0
79.05485	5.9
81.07056	4.8
83.04984	9.4
84.04507	1.6
84.08153	5.5
85.06553	1.0
86.09711	11.2
87.05585	4.4
87.10055	0.8
89.02418	1.2
90.90394	1.4
90.94831	16.9
91.05480	22.5
93.07043	2.5
95.04973	1.1
95.08601	1.8
98.97617	1.1
99.04472	1.1
100.11242	1.0
101.06037	6.8
101.07140	2.0
103.03288	0.9
103.05444	2.0
105.07043	18.3
107.04944	0.7
108.95859	2.8
109.10160	1.4
110.09682	2.1
111.04443	13.9
111.08128	0.9
111.98443	1.1
113.05988	1.4
113.07983	0.8
113.96375	2.2
114.05534	1.0
115.05446	4.7
116.06290	4.2
117.07024	8.9
118.06543	0.9
119.08579	20.9
120.55508	1.3
127.05510	0.8
127.07560	2.2
128.06204	7.2
128.10733	7.6
129.05475	3.2
129.07008	22.1
129.55974	1.6
130.07799	7.1
131.08574	51.5
131.92981	1.5
132.95825	2.1
133.10118	6.7
141.07021	2.1
142.07782	3.2
143.08562	59.5
143.55763	2.3
144.09343	11.9
145.06493	1.4
145.07646	1.3
145.10127	26.4
149.94049	2.2
149.96115	8.7
151.06302	0.9
155.05974	1.4
155.07066	9.8
155.97464	0.9
156.09354	2.3
157.10114	2.5
158.10916	52.8
167.97156	4.4
171.11671	2.4
173.05896	1.4
173.08185	16.8
173.13266	100.0
174.07510	0.8
174.13704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.5721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40133	0.5
56.05032	1.6
57.03430	1.5
58.99881	3.5
69.03438	1.0
71.03004	3.0
71.05002	0.9
71.50848	0.9
72.04530	0.9
73.02903	0.7
77.00914	8.2
80.36084	0.6
80.52193	1.2
81.03427	1.5
82.01448	10.1
82.53773	2.3
84.08157	0.8
85.01390	1.5
86.52686	1.1
87.95935	0.7
88.96960	0.7
89.07162	0.9
89.52704	3.4
93.63947	0.6
95.01965	3.5
96.04305	1.9
97.07655	2.7
98.53256	42.3
99.03337	3.6
100.00105	0.8
100.02489	29.2
100.05186	0.7
101.00887	5.3
101.02560	3.0
101.03493	3.8
103.02452	4.7
104.52686	1.0
105.04848	4.0
107.53777	31.3
108.03853	4.0
109.03139	0.7
110.04044	100.0
110.07166	1.4
110.54118	10.5
111.03925	2.0
111.05569	5.1
113.53208	1.7
114.05367	2.3
116.54316	2.6
116.55635	0.8
118.03585	18.2
118.53828	1.4
119.01936	7.0
119.04562	47.3
119.54626	5.8
120.02032	0.9
120.53976	1.8
121.03443	0.9
121.54843	2.9
122.53789	1.4
122.76936	0.6
123.04042	1.0
123.99100	1.2
124.02486	1.5
127.01163	0.6
127.04301	10.3
127.54415	1.1
128.01939	1.5
128.95107	0.9
129.00420	0.8
129.02133	1.1
129.04028	1.7
129.54507	2.8
133.03548	0.8
136.04820	7.7
137.05887	0.8
138.06628	7.3
138.55069	12.0
139.05103	1.1
139.54076	0.7
140.04430	2.0
141.02713	1.7
142.03525	4.9
144.03238	0.6
146.02945	5.2
147.01384	2.4
147.03090	3.2
147.04991	4.6
147.54433	1.5
147.55606	20.8
148.02759	1.4
148.05707	3.3
149.08234	4.6
150.08946	0.8
151.09799	15.2
155.06880	0.9
156.05177	0.7
156.56165	2.0
159.06403	4.2
165.01828	0.8
165.06143	1.0
165.07587	0.7
170.03021	1.1
170.06767	1.4
170.08147	1.6
170.09639	1.3
170.11780	1.1
171.01407	1.3
171.05032	1.2
171.09880	0.8
171.14940	1.0
188.07706	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03944	3.9
55.01853	3.4
55.05515	40.7
56.05746	1.5
56.47042	1.5
56.96569	25.1
57.03446	7.8
57.07075	3.2
59.05005	1.9
67.05511	51.1
69.03422	1.8
69.07072	96.4
71.05000	16.3
71.52100	2.1
78.04722	11.0
79.05497	32.0
81.03410	2.3
81.07062	71.5
83.04967	5.5
83.08624	86.0
84.96027	5.9
85.06543	10.0
91.05473	6.3
93.06495	3.1
93.07050	48.7
94.06533	1.6
95.04960	5.3
95.08617	20.6
97.06532	22.6
97.10155	5.7
99.08086	4.8
102.02239	1.7
103.00613	6.0
105.04507	2.0
105.07030	4.6
106.04154	6.0
107.04941	6.1
107.07887	2.6
107.08598	40.7
109.02934	2.4
109.06545	3.7
109.10165	5.4
111.04466	2.4
111.08086	27.1
112.01575	1.9
120.02111	1.7
121.01686	16.7
121.05919	5.9
121.07662	3.3
121.08437	10.5
121.10147	20.3
121.51271	1.5
122.05992	3.3
123.03724	1.8
123.04446	20.1
123.11698	7.9
124.05256	8.8
124.07630	1.7
125.06021	3.0
125.09624	5.4
127.05948	2.7
130.06485	5.5
131.08585	2.4
134.66699	1.5
135.04419	3.7
137.06004	2.2
139.02728	7.8
139.07599	12.0
144.03267	18.4
147.04326	1.7
149.02332	6.5
149.06001	2.4
149.07051	3.4
149.09637	3.0
149.13269	97.0
150.05479	2.8
151.03893	7.1
152.04660	4.4
162.04294	3.9
167.03317	4.5
167.07036	100.0
167.08200	3.5
167.10681	6.0
167.14319	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
55.05509	9.1
57.03420	4.7
57.07077	19.1
59.04987	3.4
65.03934	4.4
67.05507	35.0
68.99774	2.1
69.03433	39.8
69.07072	14.3
69.82702	4.4
69.83083	2.5
71.04993	22.4
79.05489	6.9
81.03406	3.8
81.07056	55.2
81.07536	2.8
83.04984	15.8
83.08627	5.4
85.02893	7.1
85.06544	98.3
91.05486	3.2
93.03398	2.3
93.07053	8.9
95.04973	11.5
95.08596	14.6
97.06517	5.1
99.04436	4.5
99.08089	3.2
105.07034	6.1
107.08599	10.9
109.02871	7.8
109.06516	17.0
109.10160	65.9
111.00800	5.0
111.04449	2.6
111.08083	13.5
113.06004	16.2
121.10151	24.5
123.08080	13.2
123.11707	74.4
124.12018	1.6
125.09630	4.8
126.03151	6.9
133.10104	4.8
139.11180	26.4
141.05470	26.2
151.11179	31.5
152.07100	1.3
169.04980	9.8
169.07524	1.7
169.12239	100.0
170.12566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	Piquerol B
Peak:m/z	Relative Intensity
51.02381	0.6
53.03947	2.1
55.01874	9.9
55.05515	4.0
56.96569	0.7
57.03435	1.5
65.03933	1.8
67.05506	11.3
67.05840	0.9
68.99744	0.6
69.03436	1.6
69.07064	1.7
69.99110	1.1
69.99476	2.5
70.06599	1.2
70.68108	0.5
71.04966	0.9
77.03925	1.4
78.04712	8.9
79.05496	55.6
81.03435	1.4
81.07059	4.9
83.04992	3.4
83.08619	0.6
84.08162	1.1
84.99615	0.7
91.05485	22.1
93.03397	0.9
93.07047	43.6
94.06595	0.8
94.07336	0.7
95.04971	6.5
95.08612	2.3
96.05749	1.2
97.06533	6.9
103.00636	2.1
103.05483	1.1
105.03383	1.0
105.04541	1.1
105.07035	50.3
106.04167	3.8
107.04962	8.0
107.08598	94.7
108.05779	0.7
109.02943	0.7
109.06508	4.2
109.10149	1.3
111.04435	1.2
111.08064	1.5
115.05476	0.6
116.06234	1.7
119.05003	0.6
119.06046	1.4
119.08581	5.8
120.08119	1.0
121.01687	4.2
121.02808	0.8
121.06513	14.7
121.08453	4.2
121.10147	34.5
122.03654	1.3
123.04427	17.1
123.08054	4.0
124.05258	4.5
125.06010	1.3
125.09618	1.3
129.07001	1.8
131.08571	40.9
133.06476	0.6
134.03598	0.9
134.07265	1.3
135.04416	1.6
137.09622	16.0
139.02731	1.5
139.07558	3.7
139.11182	1.1
141.85399	0.6
144.03264	5.4
149.02348	0.9
149.09625	100.0
150.05461	1.1
150.09952	1.7
151.03914	3.6
152.04700	4.8
162.04344	0.9
167.03378	1.8
167.07045	83.6
167.10675	43.8
168.07381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	L-(-)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01873	1.2
55.05511	1.0
56.96567	0.8
65.03931	1.2
66.04712	1.2
67.05495	2.3
69.03415	0.9
69.35359	5.6
71.16591	0.7
78.04716	8.1
79.05499	10.2
81.03411	1.2
81.07067	6.4
83.04976	1.7
84.96020	1.3
91.05479	3.0
93.03423	1.7
93.07047	5.8
94.04147	0.9
94.06551	1.1
95.04961	1.9
95.08595	1.2
97.06539	1.8
103.00647	3.7
103.01220	0.7
105.03391	1.5
105.07035	2.8
106.04187	4.6
107.04967	6.3
107.08608	13.5
109.06528	1.5
110.03677	3.2
111.04510	1.5
111.08083	1.0
121.01683	5.7
121.02431	0.7
121.02906	1.7
121.06501	3.2
121.08461	3.5
121.10149	12.7
123.04442	18.6
123.08038	1.0
123.11745	1.9
124.05222	5.9
125.05994	8.0
126.02238	0.9
131.08609	1.1
134.03654	0.9
135.04419	1.9
137.06087	0.8
139.07545	3.0
139.11143	2.0
144.03221	5.2
149.02368	1.5
149.06018	0.9
149.09645	4.9
151.03932	3.6
152.04701	3.5
162.04311	1.3
167.03360	3.0
167.07053	100.0
167.10614	4.2
168.07458	0.9
168.10065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02377	0.2
53.03939	0.1
54.63008	0.1
60.31469	0.1
62.95863	0.1
70.62670	0.1
70.63011	0.1
77.03916	0.2
79.05493	1.1
82.93498	0.1
91.05475	0.9
93.07054	2.1
95.04980	0.1
103.05466	9.9
107.04965	2.1
118.06566	0.1
120.08108	100.0
121.08460	0.9
131.04922	2.2
131.66191	0.1
148.44527	0.1
149.05977	1.0
166.08647	2.3
166.09967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.2
52.70105	0.1
53.03938	0.2
65.42681	0.1
65.46440	0.1
65.59607	0.1
70.15566	0.4
70.15956	0.3
71.59602	0.1
77.03912	0.2
79.05501	1.1
90.97713	0.1
91.05463	0.8
93.07043	1.7
95.04980	0.2
103.05476	7.8
103.69475	0.1
107.04970	1.8
109.25573	0.1
117.71567	0.1
120.08114	100.0
121.08459	1.3
131.02110	0.1
131.04037	0.2
131.04942	2.7
132.14987	0.2
149.05989	1.0
151.14906	0.1
166.08653	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.73204	0.7
52.37133	0.7
52.88276	0.7
53.03942	1.6
55.01876	1.6
55.05518	4.9
56.96552	2.2
57.03432	7.5
57.07085	1.5
59.04980	1.3
59.66887	0.7
61.02906	3.2
61.74367	0.8
67.05507	8.6
69.03431	22.7
69.07058	3.1
71.04971	1.0
71.08611	1.3
73.02921	1.5
79.05134	0.8
79.05499	8.1
81.03413	3.2
81.07057	13.7
82.01440	1.5
82.99832	2.8
83.04976	8.1
83.08611	1.2
85.02913	7.0
91.05481	14.8
93.07044	9.9
94.04169	1.8
95.04984	6.2
95.08614	11.1
97.06515	1.2
98.21514	2.5
99.04449	3.5
100.02478	3.1
101.00888	25.4
101.02579	4.0
102.02245	1.1
103.03932	1.1
103.05450	2.0
105.03403	1.5
105.07037	9.5
107.04960	2.0
107.08607	8.9
109.06525	15.4
109.10145	10.4
111.04434	3.5
117.07057	1.4
119.01928	74.0
119.03636	2.4
119.04920	8.0
119.07728	0.8
119.08581	16.7
120.02032	1.4
120.08120	7.7
121.06496	2.7
121.10144	17.9
122.03613	1.1
122.07311	7.3
123.04427	3.0
123.08056	10.3
123.10008	2.9
123.11721	4.1
124.02460	7.0
127.07626	0.9
129.05457	2.9
130.04672	1.0
133.02853	17.9
135.08029	2.5
137.02974	16.2
137.06000	9.1
137.09618	100.0
138.09929	1.5
142.03503	73.4
147.04411	22.1
147.06435	1.8
147.08041	1.8
147.11710	6.1
148.83423	1.0
150.10390	2.3
160.04564	19.8
165.01826	1.3
165.05461	10.4
165.07501	4.6
165.09111	11.1
165.12762	42.3
166.08675	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02367	0.3
52.03165	0.3
53.03946	0.8
53.23877	0.2
55.01867	0.4
55.05501	0.4
56.96550	0.3
65.03939	0.6
66.04723	0.5
67.05491	0.7
68.99794	0.2
69.03436	0.4
69.07071	0.4
70.06588	0.3
70.31853	0.7
70.32189	0.2
73.02872	0.3
78.04716	11.2
79.05495	5.1
81.03404	0.4
81.07062	1.3
83.04996	1.2
83.06898	0.3
84.08159	0.7
84.82475	0.2
84.96049	0.4
85.02886	0.4
91.05508	1.2
93.03405	0.7
93.07055	1.9
94.04185	0.5
95.04972	1.8
95.08635	0.3
96.05743	1.0
97.06498	0.6
103.00641	1.3
103.01234	0.3
103.05439	0.3
105.03369	1.0
105.04505	0.4
105.07005	0.4
106.04176	5.9
107.04956	3.3
107.06055	0.3
107.08612	1.4
109.02868	1.2
109.06509	0.9
110.30187	0.2
111.04444	0.3
119.97292	0.3
120.02087	0.4
121.01664	2.9
121.02861	4.2
121.06510	1.3
121.08460	0.8
121.10158	1.1
122.03664	1.4
122.06840	0.7
123.04437	20.2
123.08052	0.4
124.05232	5.8
125.05988	0.8
126.02214	0.3
128.97839	0.4
131.08591	0.2
134.03635	0.9
135.04419	0.6
137.02339	0.4
137.05946	1.1
139.02679	0.8
139.07578	1.3
144.03200	3.0
149.02351	0.7
149.05951	1.3
149.09639	0.9
150.03055	0.4
151.03905	3.8
152.04694	5.0
162.04297	0.8
165.05429	0.3
167.07042	100.0
168.07405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59627	0.5
70.70267	1.2
82.01450	0.8
82.99847	12.3
100.02484	0.6
101.00890	74.7
102.00977	1.0
111.00406	0.7
119.01931	88.6
120.02020	1.7
124.02455	13.0
130.04858	0.5
137.02965	10.4
142.03511	100.0
143.03568	1.9
160.04572	13.9
165.05127	1.3
173.32033	0.5
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
56.05020	0.8
59.23204	0.5
61.47651	0.5
66.06672	0.5
69.87296	2.7
82.01440	1.1
82.99847	8.0
94.06009	0.5
95.04972	2.4
100.02465	2.2
101.00888	65.6
102.00981	0.7
103.45704	0.6
115.02339	0.6
119.01926	87.0
120.02037	1.6
120.08134	1.1
123.04428	3.7
124.02453	16.0
137.02963	11.4
137.05981	1.0
142.03505	100.0
143.03653	1.8
147.04413	0.6
160.04553	15.5
165.05110	2.4
166.08627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99659	0.6
63.74353	0.6
65.89806	0.6
67.40289	0.6
68.05072	0.7
70.71028	1.6
70.81831	0.6
82.01436	1.2
82.99849	9.2
83.41663	0.7
88.88268	0.7
90.12546	0.7
90.64080	0.6
91.99290	0.6
100.02487	0.8
101.00885	68.0
102.00927	1.6
111.00359	0.7
119.01924	88.9
120.02010	1.4
124.02460	16.7
137.02951	10.8
138.03264	0.7
142.03505	100.0
143.03572	2.5
144.14668	0.6
160.04556	16.5
165.05136	0.7
165.07425	1.2
175.24512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02400	0.8
53.03947	4.3
55.01870	2.0
55.05512	7.3
56.96564	5.4
57.03429	2.3
57.07076	1.6
61.02925	2.0
65.03921	1.5
67.05514	4.1
69.03089	1.3
69.03436	19.7
69.07065	5.0
69.48059	3.0
69.48480	2.4
71.04988	1.4
71.43089	0.7
73.02924	0.9
77.03932	1.4
79.05499	18.4
81.03418	1.5
81.07062	10.3
82.01449	1.4
83.00771	1.4
83.04987	2.5
85.02883	1.7
89.03936	8.8
89.06016	1.1
91.05486	23.9
92.01305	1.1
92.02650	1.3
93.07054	31.0
94.51575	1.8
95.04969	7.5
95.08611	4.2
96.01551	1.0
98.01270	0.8
98.97596	5.1
99.04436	1.4
100.02486	5.5
101.00784	1.3
103.05479	49.1
103.52114	1.7
105.02082	1.0
105.03381	1.1
105.04549	2.0
105.07038	26.7
105.54965	1.0
107.04294	1.4
107.04960	14.3
107.08603	67.0
109.06504	5.4
110.01262	1.7
110.97561	1.0
115.05451	1.6
116.98628	1.8
117.03388	8.5
117.05701	0.8
117.07021	9.9
118.03530	2.9
119.01801	3.1
119.06104	1.3
119.08604	7.5
120.06293	1.5
120.09402	1.0
121.05674	1.2
121.06522	19.4
121.10146	20.7
122.07305	4.9
122.09692	3.8
123.08080	2.9
128.02342	1.7
128.06166	1.2
129.07024	3.4
130.06569	1.9
130.07785	10.5
130.52599	1.9
131.04942	60.2
132.08073	2.2
133.02876	4.9
133.06503	1.9
133.10138	1.3
135.04436	20.0
135.08066	71.4
135.11697	23.6
141.05110	1.0
143.08571	2.5
145.02908	7.2
145.03931	1.5
145.06569	1.0
145.10138	43.7
147.08043	1.3
148.08832	6.1
161.09630	0.9
163.03918	45.7
163.07550	20.6
163.11189	100.0
163.14856	2.4
164.07085	3.3
164.10738	2.7
177.00703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47096	0.9
54.15931	0.9
56.05040	61.6
63.02736	0.8
71.36119	1.1
74.02448	20.1
74.06085	24.4
82.01451	0.9
82.99834	2.0
84.04505	9.9
85.02898	2.6
100.02494	4.0
101.00895	8.8
102.05550	100.0
116.66695	0.8
119.01942	12.3
124.02476	2.7
127.84710	0.9
137.02934	2.3
141.36060	0.9
142.02428	1.6
142.03503	14.2
146.55342	0.9
160.04543	1.5
164.07413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02979	1.2
55.05496	2.5
55.45346	1.5
56.05043	7.8
56.42898	1.2
56.96566	17.9
57.03386	1.2
58.50539	3.7
59.05012	1.7
59.06122	4.5
59.99930	2.2
67.51060	2.1
70.01332	2.1
70.73321	1.9
70.73653	2.6
72.08170	1.9
74.02440	2.9
74.06092	1.6
76.51595	1.2
79.01862	3.9
82.01167	1.4
82.99850	4.4
83.01510	8.9
84.01201	1.7
84.04536	2.2
84.08146	5.8
88.02382	2.7
89.00235	1.5
89.01347	1.2
89.52387	2.3
98.97604	1.9
100.02506	1.7
101.00888	47.3
101.02552	22.0
102.02232	3.1
102.05547	2.2
119.01925	100.0
119.03662	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93742	1.4
55.05504	5.0
56.05046	11.5
56.96299	2.3
56.96566	32.2
58.50543	5.2
59.04997	2.6
59.06115	4.6
59.99935	2.4
60.04544	1.9
60.95856	1.6
67.03710	1.3
67.51081	10.1
70.01327	4.6
71.50816	2.0
72.08139	4.6
73.02943	1.8
74.02453	3.5
76.51577	2.1
79.01859	11.9
81.38377	1.4
81.50796	1.6
82.01181	6.3
82.99841	5.8
83.01503	15.4
83.04999	3.0
84.01210	3.3
84.04510	3.1
84.08147	11.8
85.02891	3.4
85.65140	1.7
88.02388	3.0
89.52321	5.3
89.94035	1.3
100.02469	2.8
101.00884	44.5
101.02550	30.0
101.06025	2.2
101.10771	3.4
102.00934	1.5
102.02229	3.7
102.05554	4.0
108.15818	1.7
117.96018	2.1
119.01928	100.0
119.03648	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	1018.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92979	1.6
71.01342	3.4
72.08155	1.1
73.02923	2.7
77.02415	1.3
78.77257	0.7
79.05496	7.0
81.03422	4.5
81.07062	20.5
83.01337	1.4
83.04975	1.0
83.08616	4.3
85.02907	29.2
86.09684	1.0
91.05457	4.7
93.07044	14.0
95.01338	12.6
95.04985	1.1
95.08608	31.5
97.02894	11.6
97.10172	3.4
99.00803	1.9
99.04426	0.9
101.02396	1.5
103.03959	2.5
103.05469	0.9
105.01851	1.9
105.07030	18.6
107.08599	21.2
109.02898	3.7
109.10158	20.8
111.04446	0.7
111.11703	1.1
113.02368	7.7
115.03951	1.4
117.07030	1.3
119.08586	15.0
120.08121	0.7
121.06493	0.9
121.10148	24.4
123.00789	1.0
123.11718	13.0
125.02377	2.7
127.03928	8.7
129.07042	1.9
131.03407	2.8
131.04970	1.1
131.08577	13.1
133.10136	12.5
135.11694	16.6
137.13266	7.3
141.01833	54.7
142.07799	1.4
143.03458	1.0
143.08565	9.1
145.02951	1.0
145.04962	3.8
145.10123	10.8
147.11684	15.4
147.12811	1.1
149.13271	15.9
151.07512	1.1
151.14767	0.8
153.01825	0.9
155.03375	1.1
155.08507	1.4
157.04932	1.2
157.10130	13.2
158.10881	2.8
159.02898	27.4
159.11702	15.1
161.13245	12.0
163.02376	2.3
163.06047	1.0
163.07588	2.7
163.14836	4.2
169.10161	3.1
171.02921	4.4
171.11700	10.6
173.13268	44.0
175.14844	6.5
177.03969	7.8
177.05415	1.1
177.16374	3.9
181.03490	1.3
183.02881	1.3
183.10204	0.7
183.11642	3.3
185.04462	1.5
185.13264	41.7
187.13454	0.6
187.14824	36.3
189.16376	6.0
191.17955	50.3
197.13289	3.0
199.02324	0.9
199.14818	13.2
201.12781	1.4
201.16403	5.4
203.17961	24.7
205.07022	0.8
205.19525	18.9
205.21457	1.0
207.13759	3.4
207.20895	0.8
211.14877	2.5
213.12827	1.7
213.16315	4.7
215.14423	1.1
215.17998	1.9
216.11510	0.7
217.03442	2.8
217.19470	6.9
219.05103	0.9
219.13843	4.1
221.15408	3.1
225.16345	3.5
227.17989	6.5
229.19609	1.8
231.05098	2.3
231.13718	3.6
231.21121	1.6
233.15366	18.7
235.04424	0.8
235.16844	1.4
239.17969	3.1
241.19592	2.7
243.21115	2.0
245.02896	8.9
245.15387	19.0
245.22624	1.0
247.16925	19.1
249.05930	3.5
253.19533	2.4
255.21094	1.9
257.15445	2.1
257.22769	0.8
259.16919	8.6
263.03983	14.6
269.22562	3.3
273.18466	1.7
281.04996	7.2
285.18527	2.5
287.20117	3.6
291.15921	7.6
299.20062	1.9
304.18924	0.8
305.17542	2.1
313.21588	1.9
321.04529	2.8
321.07983	0.9
339.05658	5.6
377.32059	21.2
387.25296	1.4
399.25415	0.9
407.08487	0.9
423.32446	3.1
425.09338	1.4
432.79700	0.7
437.34174	53.7
438.34525	2.6
455.35257	4.2
465.33643	4.0
483.34702	100.0
484.35068	3.2
765.56671	0.9
1018.37207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52162	0.4
79.05441	0.7
81.07054	2.2
83.01048	1.0
83.08585	0.4
84.08096	0.3
84.51565	0.3
85.02840	0.6
86.09647	0.4
91.05448	0.6
93.07055	2.1
95.08607	4.8
97.02823	0.3
97.10085	0.4
99.00580	17.9
105.07028	1.8
107.08620	2.3
109.10159	2.0
119.08578	2.0
120.23834	0.3
121.10140	2.4
121.11615	0.3
123.11611	1.2
126.99200	0.4
127.00043	6.6
131.08498	0.9
133.10063	1.4
135.11679	1.3
137.13196	1.1
141.01611	1.9
143.08485	0.8
145.10066	1.3
147.11673	1.8
149.13240	1.6
157.10071	0.9
158.10785	0.3
159.01297	0.3
159.11673	1.9
161.13187	1.2
163.00008	0.6
163.14732	0.3
169.10143	0.3
171.11693	0.6
173.13275	4.4
174.13559	0.4
175.14767	1.1
177.05449	0.5
181.01079	2.8
183.11676	0.3
185.00565	1.7
185.04144	0.9
185.13297	2.8
187.14830	3.4
188.15089	0.5
189.16287	0.5
191.17950	3.9
192.18263	0.6
196.65002	0.3
197.13205	0.5
199.02136	3.5
199.14754	1.2
201.16364	0.5
203.01636	23.9
203.17955	1.5
205.19508	0.7
206.15294	0.3
207.13809	0.3
210.01176	0.3
213.16249	0.5
215.17758	0.4
217.03140	1.1
221.05031	0.7
221.45421	0.3
225.16292	0.4
233.15347	1.8
234.69679	0.3
239.17947	0.4
241.03203	4.0
241.19478	0.4
245.15323	1.1
247.16937	0.8
253.19720	0.4
259.04230	1.1
259.16913	1.0
261.04453	0.4
287.19897	0.4
289.04120	0.3
303.03070	0.3
317.73511	0.3
361.03784	45.8
362.04202	0.7
377.32175	0.6
379.04807	2.4
437.34024	2.0
438.34570	1.0
479.34879	0.7
483.34909	2.3
484.35049	1.4
485.35355	0.8
505.32886	1.3
523.08795	0.4
523.33948	4.4
667.37848	1.8
670.06354	0.3
677.89063	0.4
685.39227	37.1
686.39667	1.3
701.13922	0.4
741.37842	0.7
795.83362	0.3
861.41260	3.3
903.43188	6.0
979.40631	0.3
1023.44110	100.0
1024.44250	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	1028.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.2
71.08643	0.1
71.41056	0.1
73.01147	0.6
73.02926	0.2
74.00661	1.6
74.01051	0.2
74.02452	0.1
75.01438	0.1
76.02235	0.1
79.05489	1.3
80.05018	2.1
80.35882	0.1
81.03427	0.3
81.05799	0.8
81.07059	4.9
82.02938	1.3
83.01339	0.2
83.03718	0.2
83.08619	1.1
84.04504	1.9
85.01130	0.2
85.02916	0.5
86.00656	0.4
86.99060	1.7
88.02217	0.6
88.03994	0.3
89.03931	0.1
91.05478	1.4
93.05790	0.2
93.07047	3.1
95.01328	0.1
95.04976	0.2
95.08610	8.7
96.04488	0.6
97.01122	1.0
97.02885	0.2
97.05227	0.1
97.10167	0.8
98.00074	0.2
98.00645	1.9
98.99044	11.8
99.01418	0.7
99.02619	0.2
100.02205	18.6
100.03989	0.3
101.00578	0.5
103.00928	0.2
103.05437	0.1
105.00093	1.8
105.07036	2.2
107.08591	5.1
108.04475	0.9
109.05278	0.5
109.10158	4.9
111.11762	0.1
112.02181	1.1
112.03963	0.4
113.02970	0.4
114.03763	4.5
116.01679	3.6
116.02505	0.2
117.03374	0.3
117.07010	0.3
118.03210	0.8
119.08584	3.9
120.01173	1.1
121.06502	0.3
121.10146	4.9
123.11706	3.0
124.02177	3.4
125.00553	0.5
126.00105	1.9
126.03717	0.3
128.01669	11.7
128.03391	0.4
129.07004	0.2
130.03229	6.4
131.08562	1.0
132.01164	0.3
132.04706	0.3
133.10136	3.2
133.11095	0.2
135.11694	3.6
136.03896	0.2
137.13263	2.1
139.07535	0.1
141.01770	0.2
142.03227	18.2
143.08543	0.2
144.01167	1.3
145.01854	0.2
145.02859	0.3
145.10130	1.8
146.02708	6.1
147.11684	2.2
149.13268	4.0
151.14818	0.2
152.01656	6.4
153.02460	0.1
153.09105	0.5
154.03224	0.4
157.10144	0.2
158.02681	0.5
159.11691	1.1
160.04289	0.7
160.12587	0.1
161.09578	0.1
161.13261	1.7
162.02206	0.8
163.14828	1.0
170.02719	17.5
171.01118	1.2
171.02689	0.2
171.03029	0.2
171.11685	0.3
173.13264	1.1
174.02211	7.9
175.02982	4.0
175.14848	1.1
177.05466	0.8
177.16408	1.5
178.05804	0.1
179.10687	0.4
179.17992	0.6
185.13245	0.3
186.02274	0.5
187.03000	2.9
187.14856	0.8
188.03773	19.8
189.16385	4.5
191.06952	0.1
191.10797	0.1
191.17958	5.9
192.44865	0.1
193.12198	0.2
193.19412	0.1
198.02208	41.1
199.02533	0.4
199.14850	0.4
201.16391	7.0
203.17960	4.4
204.03210	0.1
204.18239	0.1
205.19525	5.9
206.04947	0.1
206.19722	0.1
207.17456	0.2
213.16367	0.7
215.17952	4.2
216.03267	25.1
217.03561	0.2
217.19545	1.6
219.17404	0.2
221.15375	0.3
227.17944	0.4
229.19553	0.4
231.21126	0.5
233.15359	0.2
234.04315	100.0
235.04701	0.7
235.16975	1.2
241.19597	0.7
243.21088	1.4
245.22551	0.5
247.16939	4.0
249.18506	0.5
252.05304	0.2
255.21069	0.6
257.22644	0.4
259.16919	0.3
261.18512	2.2
269.22794	0.6
273.18405	0.1
275.20081	0.2
283.24091	0.2
287.20151	0.2
289.21661	0.8
301.21649	0.2
303.23096	0.1
315.23151	0.5
325.10733	0.1
329.24768	0.2
343.26349	0.2
351.08710	0.1
351.30353	0.2
355.26401	0.2
393.35175	2.7
396.09406	0.2
410.07501	6.4
421.34607	0.3
428.08588	3.6
439.35727	12.7
440.35904	0.4
629.93945	0.1
785.41370	0.1
852.34857	0.1
941.40546	0.1
1010.46753	0.2
1028.48022	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.6
50.93650	0.6
51.02380	2.0
53.03953	20.7
55.01869	1.0
56.96567	1.7
58.74584	0.6
58.90230	0.5
61.30349	0.7
65.25746	0.7
70.74510	2.0
77.03932	5.7
79.39238	0.7
81.03424	2.0
82.66077	0.6
85.02932	0.7
95.04977	18.2
102.04670	3.8
103.05476	100.0
104.10747	2.2
105.04516	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	104.1075
Annotation	Choline
Peak:m/z	Relative Intensity
52.65097	0.2
58.06605	3.2
59.07386	1.1
60.08168	33.9
69.03428	0.7
70.51521	0.7
83.18986	0.2
85.47895	0.2
87.04485	1.4
90.63824	0.3
97.10175	0.2
98.21371	0.3
104.10750	100.0
105.11089	0.3
114.25337	0.2
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	Unknow
Peak:m/z	Relative Intensity
54.54746	0.2
56.05041	0.3
58.06599	2.9
59.07372	0.9
60.08164	33.1
61.01145	0.7
67.02146	0.2
69.03423	0.7
70.52065	0.7
74.69833	0.2
76.77819	0.2
81.76839	0.2
86.06055	0.6
87.04475	2.2
104.10742	100.0
105.11084	0.5
105.88777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.9
51.02383	7.6
53.03952	84.8
55.01871	3.9
59.06929	1.1
60.95877	1.2
61.51580	0.9
66.93218	0.9
67.65668	1.0
70.84198	2.7
77.03931	20.0
79.05504	4.8
81.03429	7.4
92.84650	1.0
95.04976	79.5
101.53329	0.9
103.05472	3.2
105.03406	100.0
105.04496	42.7
105.07033	13.9
105.11110	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	1054.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02916	1.8
74.00631	0.4
76.02196	0.5
79.05487	1.6
80.05003	0.7
81.07066	5.8
81.97233	0.3
83.08595	1.0
84.04486	1.0
85.02874	0.6
85.29467	0.3
86.00665	3.6
86.09698	0.4
86.99056	2.7
88.02201	0.9
91.05461	1.7
93.07044	3.6
94.02921	4.5
94.84979	0.3
95.01303	1.4
95.04949	0.4
95.08607	9.5
96.04506	0.8
97.01078	0.4
97.10151	0.7
98.00628	1.0
100.01595	0.6
100.02203	6.6
105.00086	2.9
105.07022	4.5
107.08597	6.3
108.04440	0.4
109.09486	0.4
109.10168	4.9
112.02171	0.7
112.03963	4.4
112.73756	0.3
114.00104	1.0
114.03770	2.6
115.05421	0.4
116.01669	0.9
117.07006	0.5
118.03237	0.4
119.08585	3.6
121.10149	5.4
123.11710	3.5
124.02174	6.5
126.00081	3.7
126.03660	0.4
126.98512	0.5
128.01663	1.4
129.06961	0.3
131.04861	0.4
131.08560	3.7
132.01115	1.1
133.10133	3.8
134.02733	0.4
135.11690	4.2
136.03944	0.4
137.13240	2.2
140.01663	2.0
141.01865	0.4
142.03223	4.1
143.08554	2.2
144.01140	9.8
145.10127	3.0
146.02696	2.7
147.11696	3.9
149.13251	4.4
152.01659	17.9
153.02420	0.7
157.10114	4.2
158.02660	0.6
158.10844	0.5
159.11694	3.4
160.04297	0.4
161.13258	3.5
163.07561	0.8
163.14795	1.3
169.10115	0.8
170.02719	16.7
171.11682	2.6
172.00632	2.3
173.13264	10.5
174.02211	4.2
174.10654	0.3
175.14844	1.4
177.16385	1.3
179.18004	0.3
183.11632	1.1
185.11610	0.7
185.13268	11.2
186.02200	8.5
187.14825	5.6
188.03769	19.8
189.16367	1.0
190.01707	1.4
191.16220	0.5
191.17955	9.4
193.12257	0.5
197.13254	1.4
198.02203	59.3
199.00685	0.3
199.14841	4.3
201.12744	0.7
201.16402	1.0
203.17934	5.5
205.19527	5.4
207.13838	0.8
211.14818	0.9
213.16382	0.9
215.17976	0.4
216.03264	100.0
217.03572	0.7
217.19502	1.6
219.13776	1.3
221.15343	0.6
225.16333	0.9
227.17934	1.9
229.19501	0.7
231.13831	0.8
231.21127	0.4
233.15396	3.9
234.04221	0.4
235.16797	0.4
239.17894	1.1
241.19565	0.8
245.15390	5.3
245.22714	0.4
247.16945	2.8
253.19513	0.6
257.15375	0.6
259.17029	2.7
267.20865	0.4
269.22675	1.2
271.17099	0.4
273.18567	0.5
285.18420	0.5
287.20053	1.5
291.15909	1.5
299.19952	0.6
301.21591	0.5
305.17599	0.7
313.21671	0.6
377.32019	5.1
387.25275	0.4
392.06445	6.0
399.25055	0.5
410.07507	4.9
423.32587	1.3
437.34149	14.2
465.34070	1.5
471.23013	0.3
483.34732	14.7
484.35043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
76.39871	0.2
79.05496	1.5
80.04998	0.3
81.03374	0.4
81.07051	3.5
83.08566	0.5
84.04459	0.4
85.02842	0.9
86.09657	0.3
89.03913	0.3
91.05477	3.0
93.07050	2.5
95.08607	7.2
97.02831	0.8
97.10130	0.4
98.20834	0.5
103.05464	1.6
104.40218	0.2
105.07031	1.8
107.08607	2.9
109.02903	0.3
109.10152	3.5
112.03928	0.8
115.05469	2.0
117.03326	0.3
117.05711	0.3
117.06955	0.8
119.04881	1.2
119.08586	2.7
120.08105	0.3
121.06442	0.7
121.10153	3.1
123.04414	0.6
123.11684	1.4
127.03875	0.5
128.06169	0.4
129.06995	1.8
129.10233	0.3
130.06479	0.8
131.04922	2.2
131.08530	0.7
132.08017	0.6
133.06509	0.3
133.10110	1.7
135.04321	0.3
135.11705	2.4
136.02423	0.2
136.05139	0.3
137.05978	9.4
137.13255	2.2
143.04910	1.7
145.02820	0.9
145.06462	2.1
145.10071	1.0
147.04366	1.2
147.06812	0.4
147.11673	1.3
148.05096	0.4
148.07504	0.5
149.05968	3.1
149.13261	2.5
151.07500	0.6
152.07120	0.3
153.09048	0.3
154.06454	0.3
155.04825	0.4
156.08092	1.9
157.06528	1.7
157.09987	0.3
158.05977	0.9
159.06802	0.3
159.11670	0.8
160.05156	0.5
160.07585	1.7
161.05986	3.6
161.13240	0.8
162.05478	1.0
163.06310	0.5
163.07506	1.5
163.14804	0.5
164.07048	3.3
166.08614	0.5
167.07002	0.5
171.11736	0.4
172.07480	1.2
173.05966	3.0
173.13211	0.8
174.09079	0.9
175.06279	0.3
175.07578	2.9
175.14821	0.8
176.07028	2.0
177.05504	1.6
177.07848	4.6
177.16377	0.7
178.08636	16.8
179.07018	0.5
183.04399	0.3
184.07611	2.1
184.44615	0.3
185.05965	1.8
187.07539	0.4
187.14795	0.4
188.07024	0.9
189.05386	0.4
189.16386	3.6
190.08620	3.0
191.07011	1.1
191.17979	1.4
192.06519	0.9
192.10178	1.4
194.08130	24.1
196.09612	0.3
199.14873	0.3
200.07088	2.2
201.05496	1.9
201.07774	0.7
201.16408	3.6
202.08627	9.2
203.07045	1.9
203.17949	1.8
204.06465	0.9
205.19473	1.2
206.08138	5.7
207.08891	3.0
212.06989	0.8
213.05396	1.2
213.16342	0.7
215.05750	0.8
215.17938	3.4
217.07278	1.8
217.19528	0.5
218.08119	18.6
219.06502	2.6
219.08855	0.8
220.09676	6.1
224.09114	1.0
230.08124	15.1
231.06564	1.3
231.08528	0.5
235.08409	1.2
236.09157	1.8
241.19739	0.4
243.21115	0.7
247.16859	0.9
248.09190	29.0
255.21017	0.6
257.22714	0.4
261.18512	0.9
266.10236	100.0
267.10590	0.8
284.11240	2.9
393.35217	0.8
439.35794	1.1
442.13477	7.9
460.14432	2.0
513.68677	0.3
598.31464	0.3
656.75897	0.3
689.48035	0.3
898.48834	0.4
1060.54822	91.6
1061.55273	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	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02387	0.8
53.03952	4.7
56.96568	1.5
59.07461	0.3
62.99072	0.5
64.01198	0.3
70.57224	0.7
75.01051	0.9
77.03927	1.4
77.35929	0.3
79.05498	100.0
80.05840	0.4
84.01569	2.1
84.08142	1.6
91.05488	0.6
93.02080	0.7
95.04974	4.5
105.04524	2.4
107.04959	9.6
107.08586	0.7
123.02042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1072.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00668	1.1
77.03923	0.2
79.05477	0.8
80.04642	0.2
80.05018	2.5
81.03418	0.3
81.05783	0.6
81.07059	3.4
81.40855	0.2
82.02934	0.9
83.03708	0.2
83.08614	0.7
84.04492	1.8
84.98629	0.2
85.02890	0.4
85.25399	0.2
86.00635	0.6
86.99070	1.2
87.02666	0.2
88.02201	0.5
88.03952	0.2
89.75780	0.2
91.05475	1.1
93.05792	0.2
93.07047	2.6
95.08607	5.7
96.04465	0.8
97.01134	1.3
97.10158	0.4
98.00647	2.2
98.99044	10.4
99.01414	0.6
100.02203	18.4
101.00592	0.7
105.00095	1.3
105.07034	2.7
107.08589	3.7
108.04482	1.1
109.05232	0.5
109.10156	4.0
111.11718	0.2
112.02189	1.2
112.03954	0.4
113.02957	0.6
114.03761	4.2
116.01683	3.0
117.07030	0.2
118.03221	1.0
118.08616	0.3
119.08592	2.0
120.01195	1.1
121.10140	3.6
123.11711	2.2
124.02177	3.4
125.00563	0.3
126.00120	2.0
126.03724	0.2
126.54047	0.2
128.01666	10.6
128.03250	0.4
129.06973	0.3
130.03227	6.7
131.08540	1.7
133.10139	2.1
135.11690	2.8
137.13234	1.4
141.01814	0.3
142.03226	17.7
142.07770	0.4
143.08565	1.7
144.01141	1.3
145.10114	1.5
146.02704	5.8
147.11685	2.6
149.13263	2.6
152.01659	5.6
154.03192	0.6
155.08528	0.3
157.10124	3.0
158.10855	0.4
159.11710	1.9
160.04265	0.6
161.13268	2.2
162.02177	0.7
163.07457	0.3
163.14850	0.7
169.10170	0.2
170.02718	15.5
171.01096	0.9
171.11714	1.6
173.11781	0.3
173.13266	5.9
174.02213	8.0
175.02992	4.0
175.14815	1.0
177.16409	0.8
183.11685	0.6
185.13258	7.1
186.02216	0.4
187.02997	2.7
187.14806	3.7
188.03777	19.8
189.16406	0.7
191.17946	5.8
197.13255	0.7
198.02205	40.9
199.02505	0.4
199.14821	3.1
201.16403	0.8
203.17970	4.0
205.19531	3.0
207.13860	0.3
211.14893	0.4
213.16396	0.6
215.18031	0.2
216.03262	25.4
217.19507	1.0
219.13808	0.6
221.15517	0.2
225.16394	0.8
227.17894	1.1
231.13805	0.8
233.15349	2.4
234.04314	100.0
235.04628	0.9
239.17947	0.6
241.19580	0.6
245.15398	4.1
245.22650	0.2
247.16953	1.7
253.19540	0.6
255.21112	0.3
257.15335	0.6
259.16940	1.9
269.22574	0.6
273.18408	0.4
274.58878	0.2
285.18396	0.3
287.20090	1.0
291.16000	0.9
299.20016	0.3
305.17514	0.4
313.21533	0.4
377.32001	3.5
396.09824	0.7
399.25247	0.2
410.07550	6.1
423.32718	0.8
428.08615	4.2
437.34167	9.0
438.34821	0.2
465.33728	0.4
483.34717	9.4
484.34964	0.3
956.55518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04473	0.2
77.03923	0.1
79.05492	0.8
81.03415	0.4
83.04992	0.4
84.08116	0.1
85.02903	6.6
86.11916	0.1
87.04452	0.2
89.03913	5.8
91.03955	0.2
91.05470	0.2
95.04967	0.3
97.02890	1.0
99.04449	0.2
103.05485	0.1
105.03391	0.3
105.04488	0.2
107.04958	1.4
109.02880	0.4
111.00844	0.5
111.04456	0.4
111.05082	0.1
115.05470	0.1
117.03379	6.0
118.03791	0.1
119.04897	0.1
120.97905	0.1
121.02866	3.8
121.03854	0.1
123.04411	0.2
127.03915	3.5
128.06326	0.1
129.05482	1.8
129.06973	0.1
131.04994	0.1
133.02844	0.5
135.04414	12.5
136.04729	0.1
137.02336	0.7
145.02843	10.5
145.06500	0.2
146.03159	0.1
147.04411	1.2
147.06497	0.6
153.00591	0.1
153.01826	2.3
157.06456	0.4
158.06003	0.1
161.05991	0.3
163.03897	100.0
164.04219	0.9
165.01820	1.0
171.02924	0.1
171.04462	0.2
173.06000	0.2
175.03888	0.2
175.07689	0.1
177.05481	0.2
181.04950	1.5
183.02914	0.5
185.06010	0.4
186.05521	0.2
189.05478	0.3
191.03419	0.1
193.05037	0.1
197.05978	0.2
199.03888	0.1
201.05548	0.5
203.07155	0.2
213.05457	1.0
217.04990	0.2
218.05785	0.1
219.06511	0.3
229.04999	0.2
231.06424	0.6
241.04916	1.0
243.06421	0.1
245.04388	0.3
247.06058	0.2
255.08842	0.2
258.05249	0.7
259.06100	0.3
269.04407	0.2
271.05942	0.1
285.03900	0.1
286.04593	0.1
287.05490	99.9
288.05826	1.6
299.05600	0.6
300.06274	0.1
303.04764	0.1
307.08127	7.0
308.08844	0.1
309.09790	0.3
311.05383	0.2
317.06528	0.1
325.09174	31.2
326.09418	0.4
329.06567	1.1
353.06445	0.6
379.07907	0.1
383.07764	0.1
395.07870	0.2
397.09116	0.3
413.08823	0.2
415.10156	0.3
431.09604	0.4
433.11398	0.6
435.12845	0.1
449.10800	12.1
450.10934	0.3
471.15067	0.6
487.14450	0.2
491.09552	0.1
611.14337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04474	0.2
79.05490	0.1
79.72192	0.0
81.03422	0.6
83.01331	0.1
83.04984	0.7
85.02905	10.6
87.04478	0.2
89.03905	0.1
91.03962	0.8
94.56278	0.0
95.04977	0.1
97.02896	2.1
97.03522	0.1
97.06646	0.0
98.21503	0.1
99.04459	0.4
101.02422	0.1
101.06049	0.1
103.03959	0.1
105.03394	0.2
107.04970	0.2
109.02874	0.7
111.00811	0.5
111.04445	0.6
115.03920	0.2
117.03413	0.1
119.04912	0.1
121.02868	2.8
123.04505	0.1
127.03919	2.2
129.04524	0.1
129.05486	2.3
133.02870	0.3
135.04433	0.3
137.02351	0.6
145.02853	0.2
145.04965	2.5
147.04446	0.7
147.06516	1.2
151.03929	0.1
153.01826	2.3
157.06433	0.3
161.05937	0.1
163.02550	0.1
163.03920	2.1
163.06003	1.1
165.01833	1.1
165.07590	0.0
169.04965	0.0
169.06476	0.1
171.02888	0.1
171.04384	0.2
171.06612	0.1
173.05951	0.1
175.03773	0.1
177.05502	0.2
183.02902	0.6
184.97968	0.0
185.05968	0.3
189.05547	0.1
197.06012	0.1
201.05597	0.1
203.03418	0.1
203.07057	0.1
213.05486	0.8
219.06615	0.1
231.06503	0.5
241.04936	0.7
241.07211	0.1
243.06470	0.1
243.08813	0.1
245.04387	0.1
255.08742	0.3
258.05255	0.7
259.06058	0.2
263.05566	0.1
269.04453	0.2
273.09750	0.3
283.06033	0.1
285.99033	0.1
286.04639	0.1
287.05499	100.0
288.05832	1.5
289.09201	0.1
291.10870	0.1
299.05502	0.6
300.06372	0.1
303.04977	0.2
307.08118	0.1
309.11823	0.4
311.05545	0.3
325.09137	0.4
329.06564	1.5
353.06470	0.6
365.06390	0.1
377.06403	0.1
379.07993	0.1
383.07465	0.1
388.46356	0.1
395.07654	0.2
397.09161	0.2
413.09021	0.2
415.10339	0.1
431.09683	0.5
433.11304	0.5
449.10809	12.8
450.11163	0.2
491.11572	0.1
595.16010	0.1
611.16083	2.0
612.16437	0.1
741.75537	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	1088.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03886	0.3
79.05489	2.6
80.33353	0.1
81.03378	0.5
81.07051	9.3
83.08619	1.1
85.02907	1.6
87.04413	0.2
89.03885	0.2
91.05476	5.3
93.07040	5.6
95.04949	0.5
95.08603	14.2
96.08894	0.2
97.02880	0.8
97.10141	1.0
99.06153	0.1
101.70582	0.2
103.05450	1.0
105.04512	0.2
105.07025	5.6
106.06547	0.2
106.07250	0.2
107.04924	0.1
107.08590	7.9
108.08909	0.3
109.02851	0.1
109.06461	0.5
109.10149	7.7
110.10467	0.3
111.11670	0.5
113.02381	0.2
115.05418	0.4
116.06314	0.2
117.07025	0.7
118.06516	0.5
119.04942	1.1
119.08577	5.1
120.08113	0.2
121.10134	6.9
122.10448	0.4
123.11692	4.0
127.03915	0.3
128.05161	0.1
128.06195	0.5
129.07007	0.8
130.06497	0.6
131.04874	1.1
131.08556	4.6
132.08893	0.4
133.10129	3.8
134.06018	0.4
135.04422	0.8
135.11691	5.2
136.03906	0.2
136.11975	0.2
137.05965	5.2
137.12184	0.3
137.13248	4.3
141.01851	0.2
141.06911	0.4
142.07765	0.6
143.08557	3.1
144.09331	0.4
145.04942	0.1
145.06404	0.2
145.10115	4.0
146.05997	1.4
147.04407	0.9
147.11681	4.0
148.03944	1.8
148.07541	0.4
148.11996	0.2
149.04698	0.4
149.05960	1.0
149.13257	4.9
151.03947	0.1
151.14761	0.2
155.08542	0.7
156.09315	0.5
157.10126	3.9
158.05992	0.3
158.10876	1.0
159.11682	5.4
160.07590	0.3
160.12076	0.4
161.05873	0.2
161.11986	0.3
161.13248	3.6
162.05460	1.2
162.13559	0.3
163.03926	0.4
163.06224	0.5
163.07532	0.7
163.14818	1.4
164.07059	12.8
164.15169	0.1
165.07326	0.2
167.07071	0.2
169.10078	0.5
170.10866	0.2
171.11684	3.0
173.13252	16.3
174.05501	0.8
174.13612	0.8
175.06239	0.4
175.14816	2.2
176.07112	1.5
176.15182	0.3
177.07832	0.4
177.16306	1.1
178.08643	0.2
183.11620	0.9
185.13249	11.1
186.13622	0.5
187.14816	10.1
188.15158	1.2
189.16428	1.5
190.05072	0.2
190.16714	0.2
191.05791	0.3
191.17946	7.3
192.06544	51.8
192.18301	1.2
193.07054	0.8
193.12172	0.4
194.08093	0.5
197.13240	1.5
199.14810	6.3
201.12749	0.4
201.16402	1.1
202.16652	0.2
203.17940	3.1
204.06548	4.9
204.18269	0.4
205.12151	0.2
205.19510	2.4
206.08133	0.5
207.13849	0.7
210.07588	0.2
211.14774	0.9
213.12723	0.3
213.16362	1.2
215.17958	0.6
216.18205	0.1
217.07368	0.7
217.19511	1.2
218.19849	0.2
219.13765	1.8
220.06035	16.7
221.06543	0.2
221.15338	0.5
222.07594	0.7
223.14812	0.2
225.16374	1.2
226.17087	0.3
227.17947	1.5
229.19641	0.2
231.13820	1.0
231.20895	0.2
232.05997	0.3
233.15350	4.0
234.15749	0.3
235.16933	0.4
239.17908	1.4
241.15749	0.2
241.19531	1.6
243.13646	0.2
243.21182	0.2
245.15375	4.4
245.22563	0.2
247.16942	3.6
248.17307	0.7
250.07104	14.5
251.17865	0.2
253.19432	1.0
255.21103	0.4
257.15494	0.7
259.16931	3.8
267.21161	0.4
268.08151	2.7
269.22684	0.4
271.17047	0.3
273.18430	0.7
275.20013	0.3
285.18536	0.6
287.20184	0.9
291.15848	0.5
299.20032	0.9
301.21689	0.5
313.21683	0.4
322.09152	0.9
335.27185	0.2
350.08652	2.6
368.09741	3.5
377.31998	2.3
378.32434	0.3
379.33200	0.2
395.33304	0.3
405.31564	0.2
423.32623	0.5
424.33029	0.2
426.10266	4.6
437.34143	4.1
438.34354	1.3
444.11414	1.6
455.35123	1.0
456.35724	0.4
483.34674	5.8
484.34958	2.3
485.35464	0.4
850.43726	2.7
926.45770	1.5
933.77698	0.2
1012.48987	12.3
1013.49731	0.6
1088.50574	100.0
1089.50891	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	1088.508
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03886	0.2
79.05489	1.5
81.03360	0.3
81.07055	4.0
81.64897	0.1
83.08581	0.4
85.02447	0.1
85.02901	1.4
91.04914	0.1
91.05475	2.0
93.07043	2.3
95.04913	0.3
95.08607	6.4
96.11533	0.1
97.02899	0.6
97.10136	0.4
102.04642	0.1
103.04810	0.1
103.05455	2.0
105.04504	0.2
105.07030	2.3
106.06556	0.1
107.04922	0.1
107.07901	0.2
107.08595	2.6
109.02874	0.1
109.06484	0.1
109.10154	2.5
111.11694	0.2
113.02350	0.4
115.05415	0.1
116.93602	0.1
117.06995	0.3
119.04946	0.7
119.08579	1.6
120.08065	0.4
121.06535	0.7
121.10143	2.6
123.04446	0.6
123.10971	0.1
123.11710	1.6
127.03852	0.2
128.06201	0.3
129.06955	0.4
130.06523	3.4
131.03409	0.2
131.04921	2.4
131.08559	1.9
133.05168	0.3
133.09277	0.1
133.10146	1.5
134.06052	0.1
135.04376	0.2
135.11687	1.6
137.05972	4.6
137.13248	1.7
141.01842	0.1
142.07733	0.3
143.08554	1.4
144.09300	0.1
145.02931	0.1
145.10135	1.3
147.04402	2.6
147.11674	1.3
148.03934	0.2
148.05116	0.1
148.07555	1.2
149.05981	4.3
149.13254	1.6
155.08469	0.3
155.16173	0.1
155.92471	0.1
156.09305	0.2
157.10127	1.5
158.06010	2.8
158.10866	0.3
159.02916	0.2
159.06789	0.9
159.10478	0.1
159.11700	1.9
160.07549	0.2
161.05962	0.1
161.13255	1.0
162.05411	0.2
163.06244	0.2
163.07515	0.3
163.14787	0.4
164.07002	0.4
165.05421	0.5
166.08636	2.0
169.09996	0.2
171.11687	1.4
173.13264	6.4
174.13437	0.1
175.06212	0.5
175.14822	0.7
176.07066	5.5
177.05402	0.2
177.07845	3.1
177.09344	0.2
177.16302	0.3
178.08614	1.4
179.17921	0.1
183.11656	0.4
185.13255	5.2
187.13136	0.2
187.14810	2.8
189.16315	0.4
191.17940	1.4
192.06573	0.8
192.18358	0.2
193.07253	0.3
194.08124	100.0
195.08476	1.1
197.13242	0.6
199.14818	2.9
201.12700	0.1
201.16370	0.4
203.17934	0.7
204.06546	2.3
205.12424	0.1
205.19524	0.7
206.08072	0.7
207.13753	0.1
211.14748	0.5
213.16368	0.4
215.17906	0.2
217.19498	0.1
219.13814	0.6
220.06065	0.3
222.07608	20.8
223.07916	0.2
225.16333	0.7
227.17889	0.9
229.19463	0.1
231.13789	0.4
233.15337	1.1
239.17924	0.7
241.19611	0.7
243.13753	0.1
245.15410	1.7
247.16872	0.5
250.07109	9.7
253.19624	0.2
257.15329	0.3
259.16943	1.6
261.18610	0.1
267.20941	0.2
268.08157	36.2
269.08475	0.5
273.18405	0.3
278.21234	0.4
285.18488	0.2
287.20026	0.3
299.20047	0.4
301.21591	0.2
313.21671	0.1
321.25876	0.1
377.32016	0.7
398.10803	0.8
426.10303	22.3
427.10605	0.3
437.34338	0.7
438.34500	0.1
444.11401	4.6
483.34644	0.7
484.35114	0.2
926.45325	4.1
926.63776	0.2
927.45807	0.2
1088.50610	85.8
1089.50769	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03949	7.9
55.05512	9.6
61.36587	0.9
65.03944	4.2
65.99348	1.0
67.05507	100.0
69.07071	5.3
69.64659	1.7
69.65066	3.1
71.94134	0.8
74.99825	1.9
77.00172	0.9
77.50119	1.6
77.99915	1.3
79.05484	8.6
80.06273	1.3
81.03421	16.2
81.06594	1.8
81.07063	31.4
82.06588	2.3
86.00693	4.3
86.50616	4.9
87.00472	11.1
91.05493	1.4
94.07828	1.0
97.37440	0.9
98.51243	1.0
107.08610	3.6
109.02853	2.4
109.06524	9.5
109.07661	4.1
109.10159	69.3
110.06040	8.2
110.10547	0.9
111.96878	1.6
112.96687	1.4
113.96411	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03948	13.1
55.01875	1.2
55.05511	9.5
65.03944	4.7
66.36730	0.8
67.05505	100.0
69.07054	5.1
75.49734	0.8
77.00195	2.1
77.99944	2.6
79.05496	11.9
81.03420	22.4
81.07059	35.0
82.06577	1.3
86.00701	8.4
86.50613	5.6
87.00468	19.3
88.66598	0.9
91.05486	4.2
94.04191	2.1
94.07828	0.9
95.01223	1.0
96.00983	2.0
97.51519	1.4
98.51271	2.0
107.04981	1.1
107.08617	4.1
109.02896	8.1
109.04832	1.2
109.06526	16.3
109.07669	4.6
109.10159	63.1
110.06053	10.8
111.96890	3.3
113.96404	5.5
129.97894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03942	0.1
78.04331	0.1
78.04681	0.3
79.05477	0.1
81.03429	0.3
83.01344	0.1
83.04995	0.3
84.08113	0.1
85.02903	6.2
87.04459	0.2
89.03912	5.7
91.03966	0.3
91.05445	0.3
95.04961	0.2
97.02898	1.1
99.04446	0.2
100.85247	0.1
101.76032	0.1
103.05474	0.4
105.03388	0.4
106.04150	0.3
107.04948	0.2
109.02905	0.6
111.00807	0.4
111.04453	0.3
115.05437	0.1
117.03376	13.1
118.03696	0.1
119.04939	0.2
121.02867	3.7
121.03852	0.1
121.06458	0.1
123.04425	0.1
124.05211	0.1
127.03910	3.5
128.06206	0.1
129.04504	0.1
129.05476	1.9
129.06969	0.1
131.04926	0.3
133.02878	0.5
134.03653	0.9
134.12601	0.1
135.04424	0.8
137.02347	0.7
137.06023	0.3
141.07001	0.1
145.02841	39.9
146.03159	0.4
147.04417	1.0
147.06516	0.4
149.05975	4.4
151.03854	0.1
153.01828	2.3
157.06438	0.4
158.06030	0.1
159.04439	0.1
161.05966	0.3
162.03127	0.2
163.03906	0.7
163.06122	0.1
163.07571	0.1
165.01831	1.3
169.06528	0.1
171.02998	0.1
171.04433	0.3
172.05174	0.1
173.05948	0.2
175.03952	0.2
175.07710	0.1
177.05461	90.7
178.05801	1.0
183.02890	0.6
183.04358	0.1
185.06001	0.4
186.05482	0.8
187.07622	0.2
189.05415	0.3
195.06516	1.6
195.08252	0.1
197.06012	0.2
199.03893	0.1
199.07625	0.2
201.05524	0.3
203.03540	0.1
203.07033	0.2
205.04977	0.2
207.06409	0.1
213.05457	1.1
214.06105	0.1
215.07062	0.3
217.04951	0.2
217.08571	0.1
218.05754	0.1
219.06493	0.2
229.04956	0.1
231.06479	0.8
233.08115	0.4
241.04932	1.1
243.06529	0.2
245.04362	0.2
245.08223	0.1
258.05228	0.9
259.06119	0.4
261.07617	0.6
263.05496	0.1
269.04349	0.2
285.07349	0.1
286.04706	0.1
287.05487	100.0
288.05814	1.5
291.08527	0.1
299.05533	0.7
300.06140	0.1
303.05280	0.1
303.08414	0.1
305.09863	0.1
311.05548	0.3
313.06967	0.1
321.09686	8.2
322.10172	0.1
323.11298	0.3
325.07062	0.2
329.06512	1.1
339.10736	33.1
340.11044	0.6
353.06516	0.5
365.06049	0.1
383.07761	0.1
395.07455	0.1
397.08926	0.3
413.08588	0.2
415.10254	0.2
431.09439	0.3
433.11157	0.6
449.10779	12.3
450.11020	0.3
485.16550	0.8
501.16037	0.4
595.16852	0.1
625.15240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.299
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03925	0.2
79.05491	0.8
81.03417	0.5
83.04971	0.3
85.02904	6.0
87.04455	0.1
89.03915	6.2
91.03960	0.3
91.05465	0.1
93.03397	0.2
95.04962	0.3
97.02884	1.0
98.20875	0.1
99.04446	0.2
107.04955	1.5
109.02876	0.7
111.00801	0.6
111.04450	0.2
111.37894	0.1
115.05496	0.1
116.23915	0.1
117.03379	6.2
118.03737	0.1
119.04987	0.1
121.02883	0.7
123.04437	0.3
125.02370	0.1
127.03912	3.7
129.05479	1.9
129.06967	0.1
131.04929	0.1
135.04416	12.2
136.04716	0.1
137.02341	4.1
137.03352	0.2
143.04884	0.1
145.02846	10.2
146.03210	0.1
147.04436	0.2
147.06491	0.5
149.02324	0.4
153.01822	2.3
155.04910	0.1
157.06471	0.2
159.04468	0.1
161.06013	0.3
163.03899	100.0
164.04219	1.0
165.00529	0.1
165.01814	1.5
166.02628	0.2
171.02905	0.1
171.04391	0.1
173.05949	0.4
175.03883	0.2
177.01854	0.1
177.05446	0.4
178.05949	0.1
181.04932	1.2
183.02885	0.6
183.04422	0.2
186.05423	0.1
187.03920	0.4
191.03398	0.2
191.07077	0.1
193.05054	0.1
195.02934	0.2
197.06155	0.1
199.04022	0.1
201.05469	1.1
205.04965	0.3
211.03969	0.1
213.05400	0.2
215.03416	0.2
217.04953	0.2
219.02859	0.3
219.06508	0.3
228.04213	0.1
229.04959	3.2
233.04463	0.1
247.06023	0.9
257.04465	2.2
261.03900	0.2
274.04761	0.5
275.05399	0.2
285.03946	1.0
287.05515	0.2
289.06787	0.1
302.04340	0.1
303.04980	89.7
304.05322	1.5
307.08109	6.4
309.09692	0.3
315.04895	0.7
316.10199	0.1
325.09164	31.9
326.09521	0.5
327.04984	0.4
341.06564	0.2
345.06012	1.1
345.09802	0.1
369.06055	0.4
393.05798	0.1
394.31189	0.1
411.07202	0.1
413.08542	0.2
429.08151	0.1
431.09735	0.3
435.12820	0.2
447.09302	0.4
449.10831	0.8
465.10303	12.5
466.10562	0.2
471.15048	0.7
487.14404	0.3
507.09329	0.2
627.13806	0.4
1083.64185	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	1097.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	0.7
83.01366	0.1
83.04986	0.9
85.02904	11.8
86.03217	0.0
87.04453	0.2
89.03938	0.0
91.03951	0.8
93.03415	0.2
95.04980	0.2
97.02891	2.4
99.04446	0.3
101.02409	0.1
101.06047	0.0
103.03960	0.1
103.05499	0.0
107.01364	0.0
107.04916	0.1
109.02874	0.9
109.03599	0.1
111.00793	0.6
111.04449	0.6
113.02241	0.0
115.03934	0.1
115.05444	0.0
117.03422	0.0
117.05507	0.0
117.07013	0.0
121.02853	0.7
123.04422	0.2
127.03915	2.5
129.05478	2.8
129.69778	0.0
131.04880	0.1
135.04439	0.1
137.02336	3.3
137.05931	0.1
139.03896	0.0
145.02899	0.1
145.04955	3.0
147.04521	0.1
147.06516	1.5
149.02341	0.5
149.05966	0.1
151.03957	0.1
152.59306	0.0
153.01819	2.4
155.04889	0.1
159.04420	0.1
161.02339	0.0
161.06010	0.1
163.03944	0.7
163.05997	1.4
165.01831	1.6
165.07513	0.1
166.02654	0.2
169.04973	0.0
171.03015	0.1
173.02454	0.0
173.06033	0.3
177.02000	0.1
177.05521	0.2
178.05656	0.0
179.03386	0.1
183.02902	0.5
183.04430	0.1
185.05927	0.1
187.03954	0.3
189.05574	0.0
191.03424	0.2
191.07047	0.1
193.05016	0.1
195.02872	0.3
199.04036	0.1
199.06111	0.0
201.05467	1.1
205.05043	0.1
207.02911	0.1
211.04001	0.1
213.05473	0.1
215.03384	0.2
219.02916	0.1
219.06580	0.3
225.07729	0.1
226.83546	0.0
228.04213	0.1
229.04956	3.2
233.04546	0.1
234.05212	0.0
237.07584	0.1
239.03406	0.1
243.03046	0.0
245.04547	0.0
246.05389	0.0
247.06044	0.7
255.08636	0.3
257.04440	2.5
258.04749	0.0
261.03970	0.1
271.08182	0.1
273.09662	0.3
274.04736	0.7
275.05283	0.2
279.05066	0.1
285.03943	1.3
286.04651	0.1
287.05649	0.1
291.10641	0.1
299.05450	0.1
302.04376	0.1
303.04977	100.0
304.05319	1.5
309.11841	0.5
313.06985	0.0
315.04965	0.6
316.05835	0.1
325.11517	0.2
327.04852	0.3
329.06625	0.0
341.06857	0.2
345.06012	1.7
353.06635	0.1
355.08194	0.1
369.06131	0.5
379.45016	0.0
393.06241	0.0
395.07837	0.1
399.07233	0.1
411.07385	0.2
413.08380	0.2
429.07837	0.2
431.09854	0.2
447.09183	0.5
449.10733	0.7
465.10287	15.0
466.10291	0.2
489.10223	0.1
507.11234	0.1
611.15833	0.1
627.15601	2.2
819.64612	0.0
838.22333	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.61226	1.9
55.05518	30.3
58.06595	5.1
67.05526	2.4
68.05029	7.7
69.07070	100.0
70.06589	10.1
82.05333	2.6
83.04983	4.2
83.06103	8.1
88.00484	4.0
99.51308	2.5
111.04424	6.0
111.05573	16.2
111.06379	9.8
111.08073	3.2
111.09208	29.6
111.57808	1.8
112.05096	2.9
112.08771	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	1111.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03935	0.1
79.05487	0.7
81.03415	0.4
83.04975	0.5
85.02906	5.7
87.04449	0.1
89.03912	6.4
91.03954	0.3
91.05443	0.1
92.02627	0.2
93.03421	0.3
95.04958	0.3
97.02889	1.1
99.04465	0.2
103.05495	0.1
105.04533	0.1
105.63108	0.1
107.04960	1.4
107.05637	0.1
108.02087	0.1
109.02876	0.5
111.00792	0.2
111.04446	0.3
117.03381	6.1
121.02899	0.3
123.04432	0.3
126.03163	0.1
127.03911	3.4
129.04518	0.1
129.05486	1.9
129.07005	0.2
131.04883	0.1
135.04417	12.1
137.02344	0.7
137.06116	0.1
139.03871	0.5
143.04932	0.1
145.02846	11.3
146.03192	0.1
147.04352	0.1
147.06520	0.7
149.02324	0.1
149.06004	0.1
151.03900	2.0
151.05008	0.2
153.01831	3.3
157.06512	0.1
159.04459	0.1
161.05951	0.2
163.03902	100.0
164.04208	0.9
165.01768	0.4
166.02609	0.1
171.02911	0.1
173.05975	0.2
175.03787	0.1
177.05481	2.2
181.04936	1.5
183.02931	0.1
185.05925	0.1
186.05484	0.1
187.03940	0.1
191.03398	0.1
199.03873	0.1
201.05518	0.6
203.03458	0.2
203.07086	0.1
211.03909	0.1
215.07167	0.1
217.04926	0.5
218.05806	0.3
219.02859	0.1
219.06590	0.2
228.04207	0.6
229.04980	1.6
231.02885	0.2
231.06569	0.1
233.04541	0.2
239.03305	0.1
243.02765	0.1
243.06511	0.2
245.04512	0.6
246.05261	0.8
247.06125	0.3
256.03720	0.1
257.04453	1.4
259.06177	0.1
260.03220	0.2
261.07547	0.2
271.06070	0.3
273.03922	0.9
274.04739	2.6
275.05185	0.1
284.03217	0.3
285.03925	2.6
286.04599	0.1
288.06305	0.2
289.07086	0.1
299.05524	0.1
301.03433	0.1
302.04221	10.0
303.04968	1.9
307.08124	7.3
308.08456	0.1
309.09732	0.3
314.03989	0.1
315.05032	0.1
316.05850	0.1
317.06555	89.3
318.06906	1.6
321.09689	0.2
325.09171	31.0
326.09485	0.6
329.06540	0.7
339.10764	0.7
341.06668	0.3
355.08328	0.1
359.07611	1.1
383.07623	0.5
395.07745	0.1
413.09180	0.1
425.08469	0.1
427.10284	0.3
435.12912	0.1
443.09647	0.2
445.11279	0.3
449.77298	0.1
461.10742	0.4
463.12491	0.6
465.10526	0.2
471.14771	0.5
479.11850	12.5
480.12158	0.3
487.14435	0.2
521.11334	0.1
625.18018	0.1
641.15192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03910	0.1
78.04710	0.4
81.03425	0.6
83.04987	0.4
85.02903	6.9
89.03913	6.8
91.03979	0.3
91.05472	0.4
93.03389	0.1
95.04948	0.2
97.02886	1.1
99.04455	0.3
103.05449	0.3
106.04170	0.3
107.04934	0.1
109.02873	0.7
111.00793	0.7
111.04440	0.3
115.05471	0.2
117.03376	15.2
118.03703	0.1
119.04933	0.2
121.02876	0.8
121.06465	0.1
123.04384	0.2
125.02344	0.1
127.03914	4.1
129.04515	0.1
129.05476	2.1
129.06941	0.1
131.04918	0.3
134.03621	1.1
135.04428	1.0
137.02339	4.6
137.03331	0.2
137.05952	0.4
141.06987	0.1
143.04964	0.1
145.02843	42.8
146.03149	0.5
147.04399	0.2
147.06519	0.6
149.02345	0.6
149.05977	4.9
150.06348	0.1
151.03889	0.1
151.04994	0.1
153.01820	2.5
155.04895	0.2
157.06487	0.2
158.06027	0.2
159.04402	0.1
160.05183	0.1
161.05951	0.4
162.03127	0.2
163.03914	1.7
163.06017	0.1
165.01826	1.4
166.02641	0.2
171.02925	0.1
171.04430	0.2
172.05179	0.1
173.05975	0.4
175.03810	0.2
175.07527	0.1
177.05463	97.6
178.05817	1.2
178.07339	0.1
181.06621	0.1
183.02872	0.6
183.04407	0.2
185.05948	0.1
186.05484	0.8
187.03877	0.4
187.07544	0.3
188.04707	0.1
189.05450	0.2
191.03329	0.2
191.07066	0.2
195.02901	0.2
195.06517	1.9
195.08258	0.1
199.03889	0.1
199.07593	0.1
201.05453	1.2
203.07072	0.1
205.04970	0.3
207.06476	0.1
211.03964	0.1
213.05536	0.2
215.03450	0.2
215.07008	0.3
217.04984	0.1
217.08530	0.1
219.02899	0.2
219.06557	0.4
228.04187	0.2
229.04961	3.1
231.06479	0.3
233.08156	0.4
235.06042	0.1
239.03563	0.1
243.02835	0.1
243.06526	0.2
245.08054	0.1
247.06030	0.7
255.08446	0.1
257.01767	0.1
257.04446	2.5
261.04059	0.2
261.07599	0.7
273.07510	0.1
274.04745	0.6
275.05563	0.2
279.05267	0.1
285.04034	1.0
285.07266	0.1
286.04553	0.1
291.08670	0.2
299.05432	0.1
302.04254	0.2
303.04977	100.0
304.05313	2.0
305.10303	0.1
315.04935	0.8
316.05533	0.1
317.06494	0.4
321.09683	9.7
322.09952	0.1
323.11243	0.3
325.09219	0.2
327.05008	0.4
339.10736	37.3
340.11011	0.7
341.06702	0.2
345.06058	1.3
369.06003	0.7
395.07599	0.1
406.12561	0.1
411.06821	0.1
413.08820	0.3
417.96408	0.1
429.08286	0.2
431.09573	0.3
447.09183	0.3
449.10611	0.9
465.10287	13.7
466.10574	0.4
472.29367	0.1
479.12222	0.1
485.16559	1.0
501.15961	0.5
521.11047	0.1
542.78772	0.1
611.15649	0.1
627.15875	0.1
641.15198	0.3
681.18768	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	1111.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04713	0.4
79.05526	0.1
81.03423	0.5
83.04964	0.4
85.02905	6.4
87.04458	0.1
89.03915	6.3
91.03963	0.1
91.05485	0.3
93.03392	0.2
95.04974	0.3
97.02885	1.0
99.04464	0.3
103.05463	0.3
105.03431	0.1
106.04180	0.4
107.04974	0.2
109.02876	0.6
111.00813	0.6
111.04448	0.2
115.05473	0.1
117.03378	15.4
118.03677	0.1
119.04924	0.2
121.02889	0.6
121.06512	0.1
123.04445	0.2
124.05241	0.1
127.03914	3.4
129.04530	0.2
129.05466	2.1
129.06984	0.2
131.04907	0.3
134.03627	1.2
135.04414	1.7
137.02342	2.1
137.03401	0.1
137.05994	0.5
145.02844	45.5
146.03218	0.5
147.04405	0.1
147.06477	0.4
149.02319	0.4
149.05978	4.9
151.03825	0.1
153.00572	0.1
153.01817	2.4
153.03003	0.2
155.04875	0.2
157.06496	0.1
158.06007	0.1
159.04462	0.1
161.06007	0.3
162.03160	0.2
163.03909	4.8
165.01842	1.7
166.02576	0.2
173.06000	0.3
174.96187	0.1
175.03841	0.1
175.07545	0.2
177.05466	100.0
178.05815	1.4
183.02913	0.7
183.04353	0.2
186.05507	1.1
187.03932	0.3
187.07594	0.1
188.04590	0.1
189.05499	0.2
191.03473	0.1
191.07056	0.2
195.06540	1.4
199.07553	0.2
200.04709	0.1
201.05458	1.1
203.07048	0.1
205.04980	0.4
205.66695	0.1
207.06462	0.2
211.03905	0.1
213.05652	0.1
215.07048	0.2
217.04857	0.1
219.06500	0.3
229.04967	3.1
229.08516	0.1
230.05460	0.1
231.06560	0.3
233.08084	0.3
239.03467	0.1
243.06583	0.2
247.06108	0.8
257.04437	2.4
261.07526	0.8
273.07428	0.1
274.04797	0.7
275.05533	0.2
285.03958	1.2
287.05658	0.1
302.04056	0.4
303.04980	85.1
304.05338	1.5
305.10056	0.1
307.07956	0.3
315.04922	0.2
317.06558	3.8
321.09680	8.8
322.10257	0.2
323.11337	0.3
325.09225	0.8
327.04980	0.2
339.10739	31.2
340.11108	0.6
345.05945	0.4
369.06421	0.2
413.08191	0.1
449.10809	0.3
465.10303	18.5
466.10431	0.5
479.11874	1.0
485.16586	1.5
611.15961	0.3
627.15344	0.2
641.16205	0.1
963.53192	0.1
1073.39844	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	1111.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
78.07005	0.0
81.03417	0.6
83.04984	0.9
85.02906	11.9
87.04472	0.2
89.03904	0.3
89.05901	0.1
91.03950	0.8
92.02616	0.3
93.03404	0.4
94.04192	0.0
95.04987	0.1
97.02893	2.4
99.04442	0.4
101.02362	0.1
101.05919	0.1
103.03948	0.1
105.03396	0.0
107.04985	0.1
109.02884	0.7
111.00820	0.2
111.04453	0.6
115.03947	0.1
117.03391	0.6
117.05462	0.0
117.74972	0.0
121.02886	0.6
123.04433	0.1
124.05156	0.0
126.03181	0.1
127.03920	2.3
129.05484	2.6
131.08118	0.0
135.04408	0.2
137.02330	0.5
137.05994	0.1
139.03908	0.7
145.02873	1.5
145.04956	2.8
147.06516	1.4
149.02409	0.1
149.06007	0.2
151.03900	1.4
151.04982	0.1
153.01831	4.0
155.04922	0.1
159.04520	0.0
161.05905	0.1
163.03928	1.6
163.06046	1.1
163.07419	0.1
165.01828	0.6
165.05577	0.0
165.07486	0.1
166.02670	0.1
169.04970	0.1
171.02936	0.1
171.04359	0.1
173.06049	0.1
177.05478	3.3
178.05852	0.0
182.85194	0.0
183.02963	0.2
187.03946	0.1
189.05482	0.1
191.03482	0.1
192.04108	0.0
195.06520	0.1
199.04027	0.1
200.04701	0.1
201.05470	0.5
203.03430	0.2
205.04988	0.1
207.06473	0.1
211.04057	0.0
213.05533	0.1
213.07535	0.0
217.04996	0.4
218.05806	0.3
219.02946	0.1
225.07657	0.1
228.04187	0.7
229.04976	2.0
230.05496	0.1
231.02788	0.2
233.04526	0.1
237.07498	0.1
239.03476	0.1
243.06575	0.1
245.04460	0.5
246.05264	1.1
255.08630	0.3
256.03766	0.1
257.04489	1.8
258.05176	0.1
260.03232	0.3
261.07480	0.3
267.02969	0.0
271.05905	0.3
271.08411	0.1
273.03915	1.2
273.09680	0.2
274.04727	3.3
275.05264	0.1
284.03128	0.4
285.03955	3.4
286.04596	0.2
287.02161	0.1
287.05444	0.1
288.06180	0.2
299.05496	0.1
301.03503	0.1
302.04218	11.9
303.04962	3.1
307.08142	0.1
309.11899	0.4
313.07196	0.1
314.04346	0.1
315.05118	0.1
316.05872	0.1
317.06561	100.0
318.06906	1.5
321.09784	0.3
325.08746	0.3
329.06555	0.7
339.10760	0.9
341.06659	0.3
355.08209	0.1
359.07632	1.7
360.08258	0.1
383.07648	0.5
395.07822	0.1
409.09314	0.1
413.08508	0.2
425.08627	0.2
427.10263	0.2
443.09631	0.2
445.11319	0.2
461.10779	0.5
463.12381	0.6
465.10400	0.4
479.11856	14.6
480.11969	0.3
521.12714	0.2
625.17438	0.1
641.17065	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
56.29398	0.4
56.37352	0.4
56.96580	1.0
57.64669	0.4
58.06589	0.6
59.07367	0.4
67.03001	0.5
68.05025	0.8
69.04556	6.2
70.02944	0.9
70.06596	14.5
71.50700	0.5
71.93733	0.6
71.94106	8.1
82.01446	1.0
83.06097	0.9
89.52337	0.6
94.04067	2.6
95.02460	18.6
95.06097	8.9
96.00875	0.4
100.02485	1.4
112.05097	100.0
112.07632	1.1
112.08682	1.8
112.11254	0.6
113.02368	1.1
113.03473	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.9672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93838	1.3
55.01885	0.4
56.96563	0.9
57.03426	0.6
59.52200	0.4
67.01863	0.9
67.05508	0.6
68.05029	1.2
69.01950	0.4
69.03410	0.4
70.02958	4.5
70.06596	0.6
71.06935	0.9
71.50950	0.5
71.51369	0.5
71.52216	0.5
71.94102	100.0
72.93781	0.6
78.52957	1.7
79.03046	0.4
80.52695	0.9
81.01905	0.9
82.01448	1.3
82.05312	0.4
83.06098	0.7
86.52709	0.5
89.95135	6.0
90.01532	0.4
95.01339	0.8
95.02448	0.4
95.06094	11.3
96.00859	2.4
96.02811	0.4
96.04475	0.5
96.05814	1.2
96.06419	6.7
97.91740	0.4
100.02479	2.8
101.00888	2.5
101.53988	0.5
112.96719	7.0
113.02384	25.5
113.03504	7.2
113.04736	0.8
113.05423	3.7
113.07140	4.3
113.09089	1.0
113.10764	0.6
119.01942	3.2
130.97787	1.1
131.01898	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1125.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
78.04722	0.4
81.03415	0.4
83.04977	0.4
84.02106	0.1
85.02902	6.8
87.04456	0.2
89.03912	7.4
91.03942	0.2
91.05460	0.2
92.02615	0.3
93.03400	0.4
93.07008	0.1
95.04966	0.2
97.02886	1.1
99.04431	0.2
103.05494	0.4
105.03396	0.2
106.04166	0.3
107.04963	0.1
108.02094	0.1
109.02888	0.7
111.00790	0.2
111.04451	0.3
113.02406	0.1
115.05444	0.1
117.03375	15.1
118.03721	0.2
119.04913	0.1
121.02876	0.7
121.06463	0.1
122.03651	0.1
123.04421	0.1
124.05202	0.2
126.03145	0.2
127.03913	3.4
128.06216	0.1
129.04527	0.1
129.05470	2.0
129.06929	0.1
131.04938	0.3
134.03627	1.3
135.04419	1.2
136.01556	0.1
137.02332	0.8
137.05966	0.6
139.03896	0.6
144.05679	0.1
145.02841	44.4
146.03172	0.5
147.04416	0.2
147.06517	0.6
149.02357	0.1
149.05972	5.2
150.06380	0.1
151.03902	2.6
151.05013	0.2
153.01822	4.3
155.04927	0.2
157.06494	0.1
158.06039	0.1
159.04469	0.1
161.05928	0.1
162.03148	0.2
163.03896	0.9
163.06128	0.1
163.07628	0.1
165.01797	0.4
169.06464	0.1
171.02908	0.1
171.04410	0.1
171.08012	0.1
172.05159	0.2
173.05984	0.2
175.03917	0.2
175.07553	0.2
177.05461	100.0
178.05804	1.2
183.02985	0.1
183.04393	0.1
184.05202	0.1
186.05478	0.6
187.07553	0.2
189.05449	0.2
191.07068	0.2
195.06512	1.9
197.05974	0.1
199.03908	0.2
199.07523	0.2
200.04588	0.1
201.05429	0.6
203.03384	0.2
203.07074	0.2
204.04192	0.1
205.05020	0.4
207.06477	0.1
211.04025	0.1
215.03369	0.1
215.07072	0.4
217.05019	0.5
217.08533	0.2
218.05849	0.3
219.06497	0.2
227.07072	0.1
228.04153	0.7
229.04967	1.8
231.02879	0.2
231.06430	0.4
233.04451	0.2
233.08055	0.6
239.03369	0.1
241.05063	0.1
243.02887	0.1
243.06493	0.4
245.04456	0.6
245.08131	0.1
246.05186	0.9
256.03674	0.2
257.04468	1.8
260.03168	0.2
261.07574	1.2
267.02829	0.1
271.06070	0.4
273.03882	1.1
274.04715	3.5
275.05273	0.1
284.03122	0.3
285.03934	3.1
286.04504	0.2
287.02002	0.1
288.06232	0.2
291.08557	0.1
299.05478	0.1
301.03418	0.1
302.04202	12.2
303.04517	0.3
303.08173	0.1
315.04990	0.1
316.05801	0.1
317.06543	96.7
318.06885	2.1
321.09677	8.6
322.10052	0.1
323.11148	0.2
329.06564	0.6
339.10730	33.7
340.11139	0.7
341.06784	0.3
355.08142	0.1
359.07623	1.1
383.07626	0.6
409.09238	0.1
413.08798	0.1
425.08472	0.1
427.10233	0.3
443.09656	0.2
445.11374	0.3
461.10464	0.3
463.12445	0.5
479.11844	12.8
480.12131	0.4
485.16690	0.8
501.16199	0.3
502.38354	0.1
535.12305	0.1
604.04645	0.1
641.16443	0.1
655.16125	0.2
688.98737	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	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
58.06602	21.5
59.07383	23.5
61.61838	0.2
61.86726	0.1
67.14442	0.1
71.42122	0.2
77.15012	0.1
118.08658	100.0
119.08994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.0
58.06601	23.0
59.07383	23.1
71.41898	0.4
71.42235	0.2
72.08158	13.4
83.23976	0.2
104.21409	0.2
118.08658	100.0
119.09016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Betaine
Peak:m/z	Relative Intensity
55.05500	0.5
58.06602	19.5
59.07384	21.7
68.65531	0.2
69.03425	0.5
70.11100	0.6
72.08160	3.6
73.06048	0.2
78.87947	0.2
82.01447	0.4
84.08146	0.3
100.02480	0.7
106.05056	1.8
106.55083	0.2
112.07632	0.9
115.05560	0.3
118.08658	100.0
119.09014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
58.06601	21.1
59.07384	24.0
61.55244	0.3
71.36198	0.5
72.08157	20.8
80.19045	0.3
84.32296	0.3
118.08659	100.0
119.09021	0.8
125.74334	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89458	2.7
63.81990	2.5
66.06004	2.6
67.05502	4.2
69.03090	3.1
69.03434	30.8
71.02984	5.6
71.50140	6.3
71.50517	3.1
71.77704	2.9
80.02940	3.5
82.01456	31.2
82.99860	4.0
83.01513	3.3
83.95131	2.8
84.52978	3.4
85.53738	6.4
87.53501	4.6
91.05479	6.2
93.53491	10.5
100.02494	42.1
101.00890	48.8
101.02563	5.7
102.02216	4.1
103.02450	5.2
107.05264	7.2
107.53219	7.2
115.02421	3.6
116.05768	3.8
118.03514	11.1
119.01929	100.0
121.03527	3.4
133.03502	5.4
137.02971	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	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03967	2.4
59.06973	0.7
60.07734	1.5
65.03967	2.0
69.14082	6.5
69.14485	1.3
73.08504	2.5
74.06125	0.9
79.05505	3.2
91.05490	100.0
92.05846	0.8
93.07063	1.7
95.04968	1.4
98.44183	0.7
103.05476	5.0
104.06254	5.1
105.04507	1.0
115.05450	1.9
117.07037	13.1
119.06059	2.3
119.06836	1.6
119.08570	65.1
120.08886	0.9
136.47974	0.6
138.40195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98200	0.7
58.99862	1.1
70.17077	2.8
77.00905	0.7
82.01447	56.6
82.99844	1.1
91.43184	0.7
97.92788	0.6
100.02485	100.0
101.00876	7.1
118.03525	24.9
119.01927	12.9
123.04066	1.5
123.05522	1.2
130.01799	0.6
137.02977	2.6
142.03523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02383	2.2
51.31657	0.1
51.45716	0.2
53.03949	3.2
55.01874	1.8
55.05501	0.2
57.03442	0.9
57.87234	0.2
58.99868	0.2
61.02918	0.7
62.54881	0.2
65.03951	0.7
65.52169	0.2
67.05508	6.0
68.02641	0.2
68.98291	0.2
69.01926	0.2
69.03436	1.2
69.30390	0.7
69.30814	0.5
70.06579	0.2
70.99869	0.2
73.02905	0.7
75.01915	0.2
77.03937	7.7
78.52958	0.8
79.02162	0.3
80.05027	0.2
80.52709	0.3
81.01908	0.6
81.03423	1.1
82.01450	6.6
82.52767	0.2
82.99854	0.4
84.08133	0.4
84.52966	0.3
85.02905	0.6
86.52688	0.3
87.53504	0.2
88.02666	0.7
90.02428	0.2
90.52990	0.2
92.52697	0.4
93.01892	0.6
93.53482	0.2
95.04977	8.1
97.02882	0.8
99.53462	0.2
100.02489	15.2
101.00894	2.8
101.02608	0.5
101.53236	0.2
102.00948	0.2
102.02379	0.7
103.03944	0.2
105.03402	9.6
105.04470	2.1
109.02886	0.6
111.02950	0.3
113.00873	0.7
115.02446	0.4
118.01147	0.2
118.03533	5.0
119.01932	5.2
120.02071	0.2
121.01625	0.1
123.04436	100.0
124.02466	0.5
124.03929	0.4
124.04675	0.8
129.03922	0.2
131.01930	1.4
133.03479	0.4
137.02972	0.7
142.03522	1.3
143.01933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58842	0.7
65.74153	0.7
70.71114	1.5
82.01451	54.1
82.99876	1.2
83.01517	1.5
83.76508	0.8
100.02490	100.0
101.00891	10.3
101.02593	1.8
102.02934	0.9
118.03536	27.0
119.01933	19.2
123.04063	1.2
124.21387	0.7
137.02995	2.9
142.03510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.5
51.02380	2.4
53.03949	4.4
53.73953	0.3
55.01864	1.0
57.03436	0.3
58.99846	0.3
60.34515	0.3
65.03939	0.8
67.05509	4.9
67.72840	0.3
69.03399	0.2
69.62236	1.1
69.62644	0.5
73.02928	0.4
77.03938	7.8
81.03401	0.7
82.01452	6.7
95.04379	0.4
95.04972	5.9
97.02888	0.5
100.02490	10.2
101.00876	1.0
105.03398	9.0
105.04467	2.1
112.47328	0.3
118.03538	2.8
119.01919	1.2
123.04435	100.0
124.03983	0.3
124.04783	0.6
137.02988	0.3
142.03523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01585	0.7
51.02379	2.9
53.03714	0.3
53.03947	3.6
55.01875	1.0
65.03931	0.8
67.05507	4.3
68.67550	0.2
70.86153	0.2
77.03933	9.2
81.03414	0.4
82.01446	0.9
95.04973	6.8
100.02497	1.4
101.00916	0.4
105.03397	9.9
105.04469	2.0
118.03522	0.3
119.01932	0.4
123.04433	100.0
124.04796	0.5
128.26396	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01868	0.8
55.05507	3.4
56.96552	1.4
57.07076	3.5
64.72533	0.7
65.03951	0.7
67.05508	14.8
68.60212	0.8
69.07056	1.9
69.46926	2.0
69.47330	4.1
70.38170	0.6
72.84715	0.6
76.45135	0.7
77.84161	0.7
78.03448	1.2
79.01860	1.6
79.05500	11.3
80.05025	8.7
81.07063	100.0
82.01450	9.6
82.07407	0.9
91.05492	0.9
93.07055	1.1
95.04987	7.8
95.08614	12.4
96.04506	3.7
98.20801	0.9
99.00672	0.8
100.02490	24.6
103.53164	0.8
105.07034	1.0
106.07369	1.1
108.05754	1.1
108.07692	1.7
118.03518	9.7
123.04456	8.9
123.05576	32.1
123.08055	7.5
123.10035	4.3
123.11710	21.0
124.03955	9.3
142.30208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
57.03429	0.6
58.06604	0.6
58.99861	0.7
63.61193	0.3
69.03446	0.5
69.92461	0.3
70.99848	1.0
71.50646	0.2
72.08184	0.5
74.09720	4.7
82.01411	0.4
82.99842	3.2
83.01524	1.5
84.01200	0.4
84.08150	0.6
85.02930	0.3
85.52853	0.4
86.99064	0.2
89.00890	0.4
89.02542	0.5
94.63402	0.3
97.02898	0.4
98.09643	0.3
100.02462	1.8
101.00886	33.0
101.02553	3.5
102.00940	0.4
102.02247	1.4
103.00653	0.5
103.02365	0.3
111.00449	0.3
112.03720	0.5
118.03514	0.6
118.08639	0.5
119.01926	100.0
120.02020	1.4
120.03252	0.6
121.01677	0.7
121.02435	0.3
121.29551	0.2
124.02466	0.9
124.03982	1.1
124.07603	0.4
124.09469	3.7
126.02246	0.3
133.01697	0.6
137.02963	25.2
138.03134	0.5
142.03503	7.3
142.10435	0.6
143.03600	0.3
144.03166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.5
57.03442	0.5
58.06598	0.6
58.99855	0.8
61.02938	0.5
67.77941	0.2
69.03426	0.4
69.93806	0.5
69.94209	0.5
70.87239	0.3
70.99866	1.0
72.08164	0.4
74.09724	2.3
77.00918	0.5
78.04289	0.3
78.04717	1.0
81.03477	0.3
82.01441	0.9
82.99860	3.3
83.01525	1.7
84.01205	0.7
84.08150	0.9
89.00922	0.7
94.01746	0.3
96.04445	0.3
96.65402	0.2
97.02898	0.3
98.20836	0.4
100.02486	2.5
101.00890	34.7
101.02573	5.2
102.00964	0.3
102.02235	1.6
103.00626	0.7
103.01257	0.3
103.02357	0.4
110.04808	1.5
115.00583	0.3
118.03503	0.4
118.08671	0.7
119.01931	100.0
120.01995	1.4
120.03262	0.8
121.01658	0.8
121.02428	0.3
121.03297	0.3
121.04164	0.3
124.02496	1.1
124.03956	2.8
124.04789	3.3
124.07594	0.8
124.09479	2.6
125.07123	1.0
131.01862	0.3
133.01660	0.8
134.37505	0.3
137.02974	23.9
138.03052	0.4
142.03510	8.0
142.10547	0.3
143.03696	0.3
144.03323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
50.31540	0.3
53.03956	0.6
56.05042	1.8
57.03438	0.6
57.07069	1.4
65.65604	0.3
67.05502	0.4
69.03432	11.3
69.07063	1.9
69.66995	1.0
69.67411	0.8
70.06602	2.0
71.05001	0.6
74.06083	3.1
74.09720	0.6
82.06580	1.5
82.36590	0.3
84.04508	12.6
84.08145	89.8
85.08464	0.9
95.04984	0.7
103.05466	8.1
105.04524	0.3
112.07607	37.3
113.07957	0.3
114.41253	0.3
117.48383	0.3
128.04913	1.4
130.06532	100.0
130.08624	30.0
130.12271	3.1
130.15936	1.7
131.06868	1.4
131.08551	0.8
146.06009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0654
Annotation	Quinoline
Peak:m/z	Relative Intensity
53.03941	0.6
56.05043	0.2
57.07066	0.2
57.68558	0.1
67.05484	0.1
69.03432	3.0
69.07070	0.4
69.47371	0.8
70.06592	0.2
77.03951	0.3
82.06590	0.5
84.04510	2.4
84.04987	0.2
84.08145	24.7
85.08490	0.2
91.28318	0.1
95.04985	0.7
102.04681	0.3
103.05470	7.5
105.04523	0.4
112.07610	8.5
128.04999	1.2
129.05824	0.1
130.06532	100.0
130.08580	8.2
130.15926	0.5
131.04903	0.2
131.06886	1.4
133.56552	0.1
135.30377	0.1
146.05983	0.8
146.88510	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03949	2.5
53.04162	0.4
56.96572	1.7
57.03426	0.5
69.03429	0.9
69.07074	0.5
69.23875	3.2
69.24228	0.6
70.03751	0.8
75.73445	0.3
77.03928	0.7
84.08156	3.6
85.02866	0.4
85.08476	2.5
86.09715	10.3
95.04955	1.9
98.97604	1.5
102.04675	0.7
103.05474	100.0
104.05803	1.1
105.04529	1.3
113.07199	0.5
113.07935	4.6
130.08633	0.4
131.04951	2.1
131.09018	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50753	0.4
53.03951	0.8
58.75208	0.4
65.03925	0.4
69.03416	0.5
69.86129	2.1
80.84328	0.4
84.08140	1.6
85.04857	0.4
85.08466	3.9
86.09707	5.3
86.41473	0.4
91.05482	59.8
92.05792	0.8
98.50042	0.4
103.05470	9.2
104.05842	0.5
105.07005	0.6
113.07925	2.2
115.05453	5.0
116.06236	17.9
128.06216	0.9
129.06044	0.6
129.07001	12.2
131.04942	2.1
131.08562	100.0
131.16208	0.6
132.08881	1.8
133.06418	0.5
143.06013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
53.05660	0.4
54.05243	0.3
57.03417	0.4
65.03935	0.4
67.88779	0.3
68.95277	0.6
69.03447	0.5
69.07087	0.7
70.03761	0.9
71.14796	0.7
84.08158	0.9
85.08488	5.8
86.09712	5.9
91.05490	60.9
92.05845	0.8
95.04970	0.5
103.05480	17.9
104.05804	0.4
105.04562	0.5
105.07032	0.5
113.07965	2.8
115.05471	4.9
116.06250	19.4
128.06230	0.8
129.07021	13.6
131.04953	3.6
131.08577	100.0
132.08943	1.9
133.06496	0.9
140.33954	0.4
143.06076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.06602	4.9
59.07376	2.4
60.04228	0.4
62.64712	0.4
69.07072	8.2
69.62746	0.9
69.63145	1.6
70.47507	0.4
79.32536	0.4
86.09711	100.0
87.10046	0.7
122.32425	0.4
128.61752	0.4
132.10210	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.91249	0.2
57.05800	0.3
58.06593	0.5
61.01138	0.3
67.05502	0.3
69.07070	15.0
70.94829	0.4
74.50197	0.3
86.09708	100.0
87.10031	0.9
87.31987	0.3
132.10217	1.4
146.95892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.05499	0.8
56.96564	0.5
58.06637	0.4
61.03961	0.4
63.60335	0.4
69.07075	6.5
71.00758	1.0
72.08157	4.8
85.50734	0.5
86.09710	100.0
87.10050	1.2
104.05017	0.4
104.05789	0.8
112.58610	0.4
123.07912	0.5
132.10223	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0319
Annotation	THTC
Peak:m/z	Relative Intensity
53.03954	4.7
57.03435	6.3
58.99584	10.7
59.96713	2.6
61.01152	68.1
69.81492	3.7
70.06577	3.8
72.00343	2.5
73.02924	2.2
73.29888	1.0
74.02448	12.5
74.06075	1.2
74.99070	4.3
75.02700	3.1
77.00614	3.1
85.01127	7.6
85.02914	14.3
86.09712	2.4
86.52711	1.2
87.02693	100.0
87.05608	5.2
87.10027	7.4
88.02664	2.4
88.07614	1.3
91.02192	3.6
95.53275	1.1
100.02493	1.7
101.00897	1.4
102.00950	1.0
102.09200	1.2
105.00096	6.9
105.03759	5.0
116.03442	2.2
116.07083	1.1
119.01907	1.3
124.02470	1.1
126.44367	0.8
131.01874	1.0
133.03197	32.6
133.10594	1.5
136.00525	1.0
139.27043	0.8
142.03484	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02376	0.5
53.03948	0.9
53.50307	0.3
55.01885	0.4
55.04248	0.3
55.05515	2.4
56.96564	0.8
65.03943	0.4
67.05501	0.6
70.75795	0.6
74.02462	0.4
77.03935	0.7
79.05495	5.1
80.48704	0.4
81.04562	0.6
82.05331	0.6
84.15166	0.3
86.09672	0.3
87.09578	0.4
87.10051	2.7
91.05485	15.2
93.07047	2.8
95.04976	0.9
97.02902	0.3
103.05473	2.9
104.06219	0.3
105.03419	0.6
105.07037	48.6
106.07386	0.6
107.08593	1.1
110.84291	0.3
112.02175	1.5
113.02982	0.6
115.05457	4.8
117.07035	5.1
118.04160	1.0
118.07812	5.6
123.07919	2.3
129.07002	0.5
131.08575	5.9
133.02853	1.1
133.06551	8.5
133.10136	100.0
134.05992	0.6
134.10493	1.6
144.04823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.17344	0.5
53.03940	1.3
55.05509	1.5
56.96566	1.0
58.47173	0.5
65.03960	0.6
67.05516	2.8
69.03432	0.8
70.07425	0.6
70.99878	1.1
73.02927	0.6
74.02449	0.8
77.03938	0.8
78.54899	0.4
79.05497	8.4
81.04556	1.6
82.05322	0.9
85.08440	0.4
86.09708	1.7
87.02670	0.7
87.09468	0.8
87.10036	7.4
88.02192	0.9
91.05484	40.6
92.05807	0.7
93.07050	0.7
94.82426	0.5
95.04984	1.5
97.02894	1.2
103.05473	3.7
105.03397	1.1
105.07034	100.0
106.06590	0.7
106.07315	0.9
109.05457	0.5
112.02187	3.1
113.02972	1.7
115.05464	0.9
117.07030	1.5
118.07793	1.8
123.07961	5.1
131.08597	4.8
133.02858	1.5
133.06494	9.8
133.07614	5.0
133.10133	36.7
134.06009	0.8
134.10486	0.6
144.04811	1.3
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
53.03936	1.3
55.01860	0.4
55.05502	1.5
70.75638	1.0
77.03930	0.5
79.05494	4.8
86.09702	0.8
87.10023	2.1
91.05483	14.4
93.07053	4.1
103.05465	2.3
105.03391	0.5
105.07033	44.7
107.08596	1.0
112.02182	1.0
113.03005	0.7
115.05457	4.4
116.06229	0.9
117.07022	4.7
118.07819	6.3
123.07949	1.4
131.08563	6.2
133.02908	1.0
133.06616	3.8
133.10133	100.0
134.05983	0.5
134.10478	1.5
144.04739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02365	0.6
53.03936	1.6
55.05508	1.5
56.96545	0.5
69.03436	0.6
70.06582	0.4
70.41845	0.6
70.42216	1.0
74.02456	0.4
74.18855	0.4
77.03954	0.9
79.05499	3.2
79.27905	0.4
81.04546	0.8
86.09703	0.8
87.02724	0.5
87.10035	3.2
88.02190	0.7
91.05484	14.0
92.15793	0.4
93.07043	4.3
95.04960	1.0
97.02900	1.2
103.05505	2.1
105.03417	1.0
105.07038	43.7
106.07326	0.5
107.08611	1.0
112.02168	2.1
113.02972	1.2
115.05450	3.8
116.06237	0.9
117.07019	5.5
118.07812	5.4
123.07929	3.8
129.07083	0.5
131.08571	5.6
133.02867	1.7
133.06490	3.4
133.10138	100.0
134.06056	0.5
134.10481	1.3
144.04813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	1.5
56.96564	0.8
64.54504	0.3
65.03941	0.5
67.05499	0.5
69.03429	0.6
69.07058	0.3
71.52325	0.3
74.02450	0.6
77.03929	0.7
79.05498	4.3
81.04557	0.9
82.05316	0.6
86.09695	0.7
87.10039	2.9
91.05482	13.4
93.07049	4.2
95.04969	1.1
97.02904	0.5
103.05482	3.0
105.03401	0.6
105.07033	42.7
106.07357	0.5
107.08598	1.2
112.02210	1.5
113.02985	1.3
115.05444	3.9
116.06268	0.7
117.07015	4.5
118.04147	0.4
118.07809	5.6
122.07191	0.3
123.07938	3.0
131.08565	4.9
133.02858	1.9
133.06564	6.6
133.10132	100.0
134.10495	1.8
144.04796	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	p-Methoxystyrene
Peak:m/z	Relative Intensity
51.02382	0.5
53.03952	6.0
55.01875	1.1
56.96558	1.4
67.05502	0.5
70.12940	1.1
77.03939	1.8
79.05499	43.6
81.07057	0.4
89.03909	1.4
91.05476	6.0
92.06286	2.4
93.07074	1.3
95.04980	5.2
97.68451	0.5
98.20737	0.6
98.97570	0.5
103.05474	36.6
105.04591	2.4
105.07037	100.0
106.07373	1.7
107.04974	4.5
107.08585	2.0
109.06554	0.5
114.37689	0.4
115.05432	0.8
116.01241	0.4
117.03425	0.7
117.07078	0.5
119.03539	0.5
119.04950	1.3
120.05730	16.1
121.00497	0.7
135.04468	5.5
135.08061	75.1
136.02142	1.9
136.03928	0.5
136.06201	9.1
136.08414	1.6
137.04582	0.6
138.97049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03947	7.0
55.01858	2.5
55.05515	11.2
55.85802	1.0
56.96567	1.6
61.93973	0.9
65.03936	1.5
67.05508	20.2
67.26589	1.1
69.07067	6.7
72.30297	1.1
74.21885	1.0
77.03924	1.8
79.05496	51.5
81.07056	14.9
88.98777	1.0
91.05482	35.8
93.07047	100.0
94.04012	1.0
94.07865	1.4
95.04979	6.7
97.00544	1.1
103.05492	1.4
105.04524	3.2
105.07041	10.9
107.04968	5.8
107.08594	68.1
108.08929	1.5
109.06534	2.2
112.01025	1.3
115.05420	1.8
119.03533	1.6
119.08588	5.0
120.09327	1.1
121.01560	1.3
135.04395	5.3
135.05531	2.6
135.06543	2.0
135.08055	7.4
135.11697	53.5
136.02188	8.7
136.03961	1.2
136.06184	31.2
136.07452	1.9
137.04614	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.13962	0.9
53.03952	6.7
55.05514	5.8
56.96541	1.3
57.07061	1.3
65.03946	2.1
67.05494	2.7
69.03416	1.3
69.07056	2.6
70.65732	1.0
70.66047	2.1
79.05498	24.5
80.05847	0.9
81.07048	1.5
84.33576	1.0
89.03927	3.9
91.05488	49.0
93.07049	47.1
95.04982	6.1
100.26077	0.9
105.04516	2.8
105.07037	23.4
106.07763	1.1
107.04961	7.6
107.08601	100.0
108.08907	1.0
109.06522	5.4
115.05451	1.7
117.03355	2.3
117.07016	4.3
119.03525	1.7
119.06070	5.4
119.08579	18.0
119.30733	0.9
120.09368	5.8
133.10101	2.0
135.04419	12.1
135.05525	2.4
135.08066	18.0
135.11697	39.4
135.12737	2.1
136.02182	5.8
136.03928	1.3
136.06195	23.3
136.07460	1.3
136.12038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02364	1.0
53.03954	5.5
55.05521	6.1
56.96555	1.1
57.07064	1.1
57.42717	1.0
65.03935	2.1
67.05492	4.2
69.03412	1.2
69.07068	1.4
71.05739	1.8
71.06071	1.1
79.05500	22.7
80.97726	1.0
81.07051	2.0
82.82921	1.0
89.03921	1.5
91.05485	39.0
93.07052	49.0
95.04980	4.5
105.07041	22.9
107.04987	5.1
107.08605	100.0
109.06520	4.1
115.05476	1.4
117.07035	3.0
119.06050	4.6
119.08599	16.8
120.09346	4.0
123.03432	1.0
133.10152	1.3
135.04416	6.7
135.05460	2.2
135.08084	15.4
135.11702	48.1
135.12730	2.3
136.02174	7.0
136.03922	1.1
136.06192	19.0
136.07280	1.3
136.07671	1.0
137.32610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
50.37480	0.2
57.94497	0.2
62.92434	0.2
64.15120	0.2
71.42756	0.2
75.82687	0.2
91.05493	1.7
92.02486	0.3
94.04053	2.5
109.05138	0.5
119.03558	7.3
119.04939	0.7
121.37920	0.2
136.06187	100.0
137.04607	2.8
137.05775	0.4
137.06668	0.5
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
57.47689	0.6
61.67561	0.6
63.71562	0.6
65.03932	0.6
66.04719	3.4
69.16715	0.5
71.13840	0.9
77.03923	0.6
79.05496	2.5
81.07070	1.2
91.05514	3.0
94.04196	26.0
94.04794	1.3
97.42194	0.6
101.35035	0.6
102.68681	0.6
105.03425	0.6
107.04968	1.4
113.24782	0.6
122.03661	45.2
123.04029	0.9
137.05988	100.0
138.06322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
52.30464	0.4
54.83455	0.4
65.03942	5.7
71.19890	0.6
71.20227	0.4
79.05511	0.9
81.07055	2.4
91.05485	100.0
92.05833	1.9
94.04221	0.6
109.06522	3.5
110.42015	0.5
119.04947	40.0
121.39065	0.4
125.66515	0.4
137.05966	43.7
138.05504	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02389	0.2
53.03961	0.2
63.02361	0.2
65.03944	6.9
67.42305	0.1
71.01752	0.3
79.05494	0.8
81.07056	2.1
88.05296	0.1
89.15670	0.1
91.05484	100.0
92.05828	1.3
94.04214	0.2
107.04964	0.3
107.98472	0.1
109.06520	2.8
119.04946	39.2
120.05299	0.5
137.05969	37.9
138.06335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01861	0.8
55.05500	1.9
60.38274	0.6
65.03931	2.6
66.04721	1.3
67.05508	20.3
69.03418	1.8
69.67971	3.4
69.68333	1.3
77.03912	0.9
79.05502	5.2
81.03411	1.0
81.07060	11.9
88.29641	0.6
90.10391	0.6
91.05488	31.8
92.05837	0.8
93.07054	4.3
94.04193	15.3
95.04961	2.7
95.08617	5.9
98.21491	1.2
102.01400	0.7
103.05472	1.3
107.04959	12.7
107.08591	1.6
109.06537	4.6
109.10168	30.8
110.95389	0.6
116.67303	0.7
117.06992	1.9
119.04945	10.2
119.08582	12.3
121.06519	6.1
122.03659	25.8
122.07293	70.1
123.03993	0.6
123.07612	1.2
129.70363	0.6
135.08052	2.6
137.02475	1.5
137.05978	63.2
137.09622	100.0
138.05479	1.9
138.06381	1.3
138.09996	0.8
151.27692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.90712	0.6
53.03935	2.2
55.01878	1.0
55.05502	1.8
65.03936	3.1
66.04720	2.5
67.05506	21.9
68.99822	0.6
69.03402	1.7
69.07054	0.8
69.68108	3.4
79.05492	6.8
81.03397	1.0
81.07057	14.9
89.89523	0.5
91.05482	27.7
93.07040	3.7
94.04189	22.1
94.06524	0.8
95.04971	3.3
95.08603	6.6
98.20834	1.0
103.05434	0.9
105.03342	0.7
105.04509	0.9
107.04950	12.5
107.08585	0.9
109.06516	3.9
109.10160	31.6
109.88126	0.7
117.07013	1.6
119.04939	6.1
119.08586	13.5
121.02988	0.7
121.06528	6.6
122.03654	40.4
122.07288	71.2
123.03938	0.9
123.07641	0.9
128.91010	0.6
135.08087	3.0
137.02524	1.5
137.05978	97.2
137.09616	100.0
138.05496	2.4
138.06384	1.5
138.10019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57297	0.9
56.96865	1.0
57.22698	1.2
58.06600	1.5
60.57287	0.9
70.38750	1.0
70.39096	2.1
74.09723	78.5
80.99527	1.3
82.06333	1.4
96.07895	5.6
98.97585	1.8
102.01611	0.9
114.08938	11.1
140.06834	100.0
155.97095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65576	4.5
60.20389	4.5
71.44393	4.9
78.91438	4.7
82.99832	9.3
101.00888	63.0
101.01517	8.0
119.01930	100.0
119.02777	4.0
124.02476	6.4
125.64796	4.2
137.02969	12.6
139.56186	4.9
142.03487	53.3
160.04546	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.52537	5.1
68.77697	5.4
70.47285	10.0
70.47619	9.3
70.58478	7.7
81.51923	5.8
82.99855	14.6
96.02774	6.6
101.00880	72.5
119.01919	100.0
124.02429	9.1
137.02954	14.0
137.50092	6.8
142.03496	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
55.05501	0.5
56.05047	0.5
57.03441	0.5
58.06600	1.9
60.05643	0.3
69.03423	0.3
69.89669	1.4
70.06600	1.0
71.19100	0.3
73.02923	0.5
74.08691	0.3
82.01444	0.4
84.08147	100.0
85.02922	0.7
85.08474	1.0
86.09714	0.4
97.02895	0.4
98.06051	2.2
98.09683	0.8
101.41676	0.3
102.01008	0.5
102.02255	0.3
103.00632	0.3
118.93152	0.3
119.01920	0.5
120.02039	0.5
121.01672	0.5
121.61516	0.4
143.03535	0.3
144.06541	0.9
144.10201	45.5
145.10538	0.5
156.30472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
57.04989	0.3
58.06601	1.0
68.21987	0.3
70.06593	0.5
70.10438	1.0
70.10825	0.5
84.08147	100.0
85.08492	0.7
98.06072	1.6
98.09711	0.4
127.70142	0.3
139.65912	0.3
144.06519	0.7
144.10204	44.5
145.10547	0.6
147.31801	0.3
152.27513	0.3
156.20195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11546	0.3
55.05514	0.6
57.03434	0.4
58.06600	0.7
59.07395	0.6
64.81976	0.3
70.06590	1.1
70.55506	0.8
71.04991	0.5
73.02911	0.6
82.29874	0.4
84.08146	100.0
84.99528	0.4
85.02894	0.8
85.08471	0.9
88.11786	0.3
96.29995	0.3
98.06050	1.6
98.09695	0.7
99.04456	1.6
101.00893	0.5
102.00953	0.5
102.05510	0.3
103.00647	0.5
103.02312	0.3
119.01945	0.4
120.01999	0.4
121.01648	0.9
121.55561	0.3
127.03828	0.4
144.05156	0.4
144.10201	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
56.05038	2.8
56.96556	0.6
58.06588	0.3
59.54840	0.2
60.04529	0.3
66.95297	0.3
66.99659	0.2
67.05493	1.3
69.03429	0.6
70.06586	0.9
71.04977	0.3
72.08147	2.1
73.07864	0.4
73.08487	1.8
74.02445	0.3
82.01435	0.4
82.05310	0.4
83.04991	0.3
84.01561	0.3
84.04506	12.7
84.08144	100.0
85.02912	0.8
85.04884	0.2
85.06537	0.6
85.08470	1.5
91.05486	2.6
96.50571	0.4
100.02489	0.7
101.55859	0.4
102.05560	1.1
102.09214	0.4
103.05488	0.6
110.07162	0.9
112.07584	0.3
113.11609	0.6
114.13825	0.2
115.52620	0.3
119.04951	3.8
120.04485	0.6
120.08109	3.2
121.01669	0.4
123.49255	0.5
129.10237	0.6
130.05005	4.9
130.08643	18.5
131.09013	0.3
133.03511	0.5
147.04398	1.9
147.06543	0.3
147.11343	1.1
148.04031	0.3
149.01189	0.4
164.07091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94448	0.2
55.05531	0.2
56.05036	1.8
67.05505	1.2
70.51052	0.4
70.51423	0.4
74.02444	0.2
84.04508	0.7
84.08146	100.0
85.06532	0.6
85.08478	1.3
95.05000	0.2
101.10802	0.2
102.09213	0.3
112.07617	0.4
129.10263	0.5
130.08643	18.0
147.11273	1.1
163.78177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1129
Annotation	L-Lysine
Peak:m/z	Relative Intensity
51.12328	0.4
56.05042	2.4
63.75142	0.4
67.05526	0.8
69.03442	0.6
70.85381	0.8
84.04514	24.1
84.08150	100.0
85.02911	0.7
85.04831	0.4
85.06561	0.6
85.08483	1.3
88.82166	0.4
91.05498	1.3
101.01775	0.5
101.07153	0.7
102.05550	1.3
102.09177	0.4
103.03181	0.6
107.85964	0.4
112.07656	0.4
119.04962	2.0
128.75723	0.4
129.10252	0.8
130.05014	9.8
130.05974	0.6
130.08647	18.1
133.03526	0.9
133.59319	0.4
136.44498	0.3
147.04478	0.7
147.07703	0.4
147.11327	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81430	1.0
53.03942	1.5
55.01871	4.5
56.05042	4.2
57.03438	12.4
58.99860	2.4
60.04539	1.0
60.05642	2.5
61.02933	15.8
61.11237	0.8
66.01399	1.7
67.02174	1.7
67.05487	1.4
69.01931	1.1
69.03080	1.5
69.03431	16.2
70.06599	13.3
70.20190	1.7
70.20576	1.9
70.99841	1.0
71.04996	5.2
72.01368	0.9
72.08143	0.8
73.02182	1.9
73.02925	20.8
74.00674	10.0
74.02462	1.4
75.01914	3.0
76.02711	10.5
77.00922	1.3
79.02149	2.4
80.02935	2.3
81.01907	6.5
81.02325	1.1
81.03424	6.9
81.52006	1.5
82.02687	4.1
83.01338	1.4
84.04509	91.5
84.08144	11.9
85.01423	10.0
85.02155	1.3
85.02888	28.9
85.04844	8.0
85.06544	2.9
85.07935	1.7
85.08472	28.4
86.02937	3.1
87.01895	4.1
87.04488	1.3
87.25748	0.8
88.02688	39.2
88.07622	4.3
88.52728	5.4
89.03474	1.7
90.02427	1.8
90.52554	0.8
91.03941	1.6
92.02934	2.1
93.01881	2.2
94.02679	32.6
94.52746	2.7
95.02554	1.1
95.03461	13.6
95.53540	1.9
96.02421	3.1
97.01453	1.0
97.03193	15.2
97.53289	2.4
99.04470	2.4
99.53492	1.1
100.02679	11.6
100.03278	1.4
101.00900	6.4
101.02419	1.4
101.03447	5.6
101.53536	1.0
102.00153	2.1
102.02427	3.7
102.04226	1.5
102.05547	21.3
102.09192	4.1
103.02450	26.5
103.03200	34.6
103.53264	3.3
104.02544	2.2
104.03970	1.8
106.54237	1.4
107.03470	3.2
108.02415	1.1
108.53970	2.0
109.03254	11.5
109.53281	2.5
110.03965	1.3
111.02927	6.9
111.53093	1.0
112.03729	4.3
112.53791	1.1
113.00877	3.0
114.53978	2.5
115.02439	7.1
115.03149	1.8
116.02659	1.0
116.03989	1.5
117.02932	1.8
118.03724	6.1
119.01926	10.4
120.01148	5.5
120.01991	1.7
120.08110	1.4
120.53962	1.4
121.03498	12.9
123.54485	1.1
124.03647	1.4
127.02441	1.6
127.03925	5.1
130.05016	12.2
130.08774	1.6
130.09776	8.5
131.01921	10.8
131.05347	3.2
131.08989	6.4
133.03474	100.0
134.03590	9.0
135.03174	1.6
137.02943	1.3
139.04153	1.1
143.01942	2.0
145.03448	7.7
146.84933	0.9
148.04305	3.4
148.06102	1.6
148.09727	8.6
148.11517	1.3
148.13350	1.2
149.02998	1.6
151.04533	41.4
152.04655	3.5
153.04321	1.2
156.05055	2.5
157.03464	4.2
159.05026	2.0
161.03008	3.1
164.07092	1.8
169.03444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0598
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
52.01614	0.5
53.03951	3.6
56.05037	0.8
65.03950	3.6
65.08729	0.5
70.10612	2.4
77.03930	1.3
79.05497	39.3
80.05807	1.1
81.03391	0.7
91.05481	9.5
93.03413	1.0
93.07047	33.9
95.04985	3.9
103.05469	100.0
104.05811	1.9
105.04515	1.6
105.07052	1.4
107.04958	27.5
121.02872	4.9
121.03989	2.4
121.06508	17.5
122.06028	1.4
123.07947	1.1
126.59472	1.2
131.04942	7.8
132.04463	0.8
149.02338	12.3
149.05984	9.5
150.05508	2.3
155.82765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
51.02372	1.5
53.03933	3.0
55.01872	10.4
55.05506	2.4
56.96552	3.8
65.03618	1.9
65.03944	27.1
67.05492	3.5
69.03424	1.6
69.07071	1.4
69.35765	7.7
78.04700	4.2
79.05493	23.5
80.02651	1.3
81.07059	2.7
85.04874	1.3
89.03923	22.2
91.05486	23.3
93.03389	5.7
93.07055	27.7
95.04968	3.4
103.04842	1.6
103.05447	6.9
105.04508	1.4
105.07032	26.9
106.04202	2.5
107.04982	5.8
107.08601	36.3
108.04497	1.6
111.04440	3.1
116.06223	1.8
117.03393	11.2
119.08573	1.4
121.02867	38.7
121.03971	10.7
121.06516	15.5
121.10158	10.1
122.06010	3.5
123.07935	1.2
126.59469	1.2
129.06978	2.6
131.04944	3.0
131.08569	17.1
132.04439	2.1
133.06494	1.2
134.03636	5.0
134.07312	1.2
135.04449	1.1
148.83035	1.0
149.02351	100.0
149.05997	28.5
149.07062	1.6
149.09627	64.1
149.13297	2.1
150.02702	1.3
150.05481	5.7
150.10043	1.2
167.03377	1.1
169.03468	1.3
169.51953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03960	2.4
55.01878	5.8
55.05512	1.7
56.96552	3.0
65.03945	16.9
67.05501	4.1
69.07042	2.2
69.82270	3.3
77.03918	1.4
78.04721	0.9
79.05500	19.9
81.07060	2.7
89.03937	5.1
91.05491	19.9
93.03407	4.2
93.07050	30.6
95.04956	2.7
98.03697	1.2
103.05490	5.7
105.07040	28.1
106.07813	1.1
107.04956	3.8
107.08605	15.7
108.04483	1.2
111.04440	2.8
115.05489	1.0
116.06237	3.4
117.03413	3.2
118.90537	1.0
119.08568	3.5
121.02872	24.7
121.03988	7.8
121.06503	9.4
121.10162	20.3
122.06066	2.2
123.08040	2.0
131.04961	2.2
131.08580	9.5
132.04404	1.3
133.07622	2.2
134.03607	1.2
149.02362	63.7
149.04872	1.5
149.05981	8.9
149.09633	100.0
150.02663	1.6
150.05507	3.7
150.10010	1.4
162.90572	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03950	2.8
55.01871	13.0
55.05508	5.7
57.03418	2.1
65.03949	25.4
67.05163	1.9
67.05502	9.5
69.03425	2.8
70.32037	5.6
70.32386	3.0
77.77448	2.0
79.05497	43.3
81.07058	3.7
83.04922	1.8
89.03891	4.7
91.05486	42.2
93.03397	4.5
93.07047	46.0
95.04991	5.3
103.05471	7.0
103.26664	2.2
105.07042	49.7
105.07702	4.5
107.04958	25.6
107.08596	56.0
108.04515	2.2
110.03297	2.0
111.04461	3.1
116.06219	4.7
117.03413	3.9
119.08580	3.5
121.02869	33.4
121.03975	10.7
121.06497	15.4
121.10120	16.8
122.06087	2.2
129.07027	7.0
131.04955	5.6
131.08588	32.1
149.02351	93.5
149.06042	12.3
149.07072	3.9
149.09631	100.0
149.13208	2.0
150.05522	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03936	3.0
55.01682	1.0
55.01874	10.5
55.05507	3.4
56.96559	2.1
57.03413	1.3
65.03947	31.6
67.05513	5.1
69.03422	1.8
71.08122	2.6
73.77971	1.1
78.04711	2.2
79.05074	1.7
79.05499	26.4
79.05941	1.0
80.05000	1.1
81.03429	1.2
81.07036	3.3
83.04980	1.6
87.70277	1.0
89.03917	13.9
91.05486	27.1
93.03418	9.5
93.07044	31.5
94.06597	1.6
95.04959	4.4
98.03632	1.2
103.05473	7.1
105.07037	32.6
106.04166	3.3
107.04983	9.1
107.08602	36.8
108.04489	1.3
109.06531	1.2
111.04412	5.2
116.06238	3.9
117.03392	8.3
119.08572	1.8
121.02869	41.2
121.03975	11.6
121.06516	16.0
121.10159	12.7
122.06025	3.2
123.07951	1.3
129.06960	2.1
131.04938	2.9
131.08578	17.8
132.04428	3.4
134.03639	3.1
134.07295	1.6
149.02350	100.0
149.05988	26.6
149.07063	2.4
149.09622	67.8
149.13260	3.2
150.02745	1.5
150.05501	5.8
150.09050	1.2
150.18433	0.9
157.96538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03937	3.8
55.01874	8.0
55.05489	2.8
56.78272	0.8
56.96566	3.1
58.06591	1.7
65.03616	1.5
65.03940	27.1
65.98019	0.9
67.05486	3.1
68.50146	0.9
69.07064	1.4
69.76192	5.3
70.06575	1.3
78.04713	2.4
79.05493	16.8
81.07063	2.3
83.04972	1.0
83.97308	0.9
89.03918	19.7
89.54590	0.9
91.05484	24.8
93.03413	6.0
93.07043	23.9
94.06585	1.4
95.04987	4.4
98.03696	2.1
98.20775	1.4
103.05481	6.7
105.03398	1.4
105.07034	21.6
106.04162	2.6
107.04964	10.2
107.08595	24.2
108.04482	2.0
111.04472	5.5
116.06239	3.1
117.03375	9.2
119.08586	2.2
121.02867	39.1
121.03973	11.8
121.06502	10.3
121.10129	12.4
122.03154	1.1
122.06017	3.2
123.07959	1.7
129.07004	1.5
131.04887	3.2
131.08569	10.6
132.04489	2.2
133.77477	0.9
134.03676	6.1
135.04390	1.7
138.84406	1.0
149.02350	100.0
149.03369	3.6
149.05986	28.4
149.07062	2.4
149.09615	54.0
149.13263	2.5
150.02716	1.8
150.05508	4.0
150.07788	1.2
150.09109	1.5
169.03456	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.41175	0.8
53.03937	2.5
55.01858	1.5
55.05502	2.0
62.06622	0.7
65.03947	5.9
67.05502	1.1
69.03443	1.1
69.61485	5.3
77.60397	0.8
79.05504	10.4
81.07050	1.7
81.52950	0.8
89.03922	2.8
91.05488	23.7
93.03436	1.5
93.06489	1.6
93.07050	26.7
93.07642	1.5
95.04951	1.8
98.20738	0.9
99.39744	0.8
103.05482	5.5
105.07038	23.4
106.07816	3.1
107.04949	1.4
107.08591	5.0
109.06470	1.4
115.05447	2.3
116.06256	7.4
116.18939	0.8
117.03374	1.4
119.08585	4.2
121.02868	10.7
121.03979	2.7
121.06519	6.8
121.10149	25.7
123.08067	2.7
129.07033	2.5
131.04906	1.1
131.08572	11.7
133.07578	1.8
134.07188	1.3
142.99506	0.9
147.08072	2.1
149.02356	21.3
149.05992	3.8
149.09625	100.0
150.05444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01866	2.0
55.05505	2.1
59.29086	0.7
65.03943	27.4
65.04286	1.6
66.46468	0.7
67.05497	1.5
69.07056	3.1
69.44273	0.7
78.04682	1.0
79.05495	5.6
80.02619	0.8
81.07055	6.4
88.45065	0.7
89.03927	1.8
91.05488	9.1
91.24958	0.8
93.03432	7.3
93.07047	20.7
94.38606	0.7
95.04996	0.9
95.08615	1.0
98.03677	1.1
103.05475	3.6
105.07026	4.8
106.04173	2.1
107.04945	1.1
107.08598	18.6
107.09304	1.5
108.04473	3.2
111.04482	4.2
117.03342	1.0
117.32800	0.7
119.06043	1.1
119.08592	1.2
121.02869	40.7
121.03980	12.5
121.06475	5.0
121.10156	13.3
122.06050	1.8
131.04936	1.6
131.08601	0.8
132.04416	1.0
133.19421	0.8
149.02351	100.0
149.05977	6.1
149.07114	2.7
149.09625	4.0
149.10690	0.9
149.13271	11.8
150.02692	1.6
150.05515	3.1
150.09132	0.8
155.26987	0.7
163.03960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
50.15088	0.3
53.03946	1.1
58.62973	0.3
70.90952	0.5
70.91277	0.5
79.05497	11.9
81.03426	2.3
89.03974	0.5
95.04979	1.0
95.30219	0.4
96.08160	0.6
96.53129	0.4
98.01317	0.6
98.97618	0.5
105.04517	0.7
106.06564	20.3
107.04961	100.0
108.05223	0.7
109.02892	9.0
111.02074	0.4
113.39488	0.3
116.05029	0.4
123.04424	1.5
125.06001	1.0
129.03111	1.0
134.06029	24.2
135.04425	60.4
152.07074	68.1
153.07484	0.8
153.84798	0.4
166.05608	0.4
171.76898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
52.51224	1.1
53.03933	3.8
56.05025	5.1
63.00718	2.0
67.05508	2.1
71.23145	2.7
77.03917	1.4
79.05495	11.3
95.04979	10.9
106.04890	1.9
106.06544	8.4
107.04966	22.3
109.02876	1.7
109.05148	2.0
110.03529	11.0
123.04439	79.3
124.07574	1.7
128.04544	3.8
134.06029	11.5
135.03006	16.4
135.04408	14.8
138.25650	1.1
152.05672	100.0
152.07048	22.5
153.04076	17.1
153.65712	1.0
162.67033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03937	1.2
55.02988	0.7
67.05496	0.9
71.39195	1.2
77.03922	0.7
79.05500	7.9
81.03424	0.8
81.87366	0.6
84.08158	0.8
95.04956	4.8
105.04500	0.8
106.06557	14.3
106.16199	0.5
107.04958	43.3
109.02873	2.8
109.05125	1.8
110.03531	10.8
123.04430	22.2
124.07570	0.8
128.04567	3.1
132.82365	0.5
134.04633	1.2
134.06013	23.5
135.03021	23.1
135.04405	25.2
135.05437	1.2
152.05672	100.0
152.07051	30.6
153.04082	14.7
153.05350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03946	1.6
56.96563	1.6
61.02923	0.7
69.03431	0.8
69.73676	3.0
72.75616	0.7
74.17580	0.6
79.05498	13.4
81.03427	2.3
82.06581	1.3
83.04990	0.6
85.33283	0.6
89.00782	0.9
95.04985	2.2
96.08127	1.0
98.01308	2.2
98.21577	0.7
98.97589	1.8
105.04501	0.8
105.50945	0.6
106.06559	23.2
107.04960	100.0
108.05321	0.9
109.02876	8.1
110.06081	1.0
110.97608	0.9
111.01979	0.9
120.02592	3.2
123.04440	1.1
124.07595	1.6
125.06026	1.4
129.03111	2.7
131.53357	0.8
134.06023	26.1
135.04420	67.1
136.03851	0.9
136.97401	0.6
152.03439	2.4
152.07074	74.3
152.10649	1.5
153.07436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03946	1.7
56.96560	1.1
77.03913	0.9
79.05499	11.0
81.03435	2.2
95.04962	1.5
96.08148	0.9
98.01322	0.8
106.06560	19.8
107.04960	100.0
108.05278	0.8
109.02879	9.1
110.06070	0.9
120.02658	0.6
120.06308	1.3
123.04425	1.8
124.07597	0.9
125.06001	1.2
126.03965	0.7
134.06021	23.0
135.04417	62.9
140.02647	0.5
152.07066	69.2
153.07454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Vanillin
Peak:m/z	Relative Intensity
65.03944	70.9
66.04276	0.6
67.05522	0.8
69.17811	2.3
69.18237	1.7
69.31995	0.4
70.94266	1.0
79.05495	1.1
83.05003	0.5
91.05508	0.7
93.03412	100.0
93.07052	0.5
94.03744	0.7
95.04946	0.7
97.06542	0.8
98.21556	0.7
107.04998	1.0
107.08589	0.6
110.03662	11.7
111.04448	79.1
112.04811	1.1
121.06537	0.6
125.06001	63.8
126.06367	0.9
127.74773	0.4
132.41905	0.4
134.06038	2.3
135.08127	0.5
137.05936	0.4
153.05473	28.2
153.09081	1.0
154.52220	0.4
154.88893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67844	0.4
54.94818	0.4
55.01873	0.5
55.05489	0.7
56.96558	0.9
65.03943	38.0
66.04240	0.4
67.05493	1.2
69.03413	0.9
69.07064	0.9
69.52222	2.9
69.78754	0.4
70.94246	1.2
70.95849	0.5
71.05011	0.5
79.05498	10.6
81.03411	0.5
81.07060	1.0
82.06545	0.4
83.01329	0.6
83.04991	1.0
84.08156	0.6
91.04906	0.6
91.05483	12.2
93.03409	48.3
93.07045	2.2
95.04967	1.8
95.08605	0.7
97.06536	1.4
105.07047	3.7
107.04947	1.6
107.08597	14.5
109.02795	0.5
109.06494	2.6
110.03669	6.9
111.04445	53.0
111.08092	0.8
111.96863	1.1
115.05474	0.8
119.04916	0.4
119.06039	1.2
121.06490	0.7
124.05191	0.7
125.05996	37.7
125.09677	0.7
126.06334	0.5
134.06006	1.0
135.04454	1.1
135.08057	100.0
136.03906	1.1
136.08418	0.8
137.05963	1.5
153.01886	0.5
153.05478	15.0
153.06522	0.6
153.09100	5.5
153.11455	0.4
153.12764	0.8
154.04942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03953	1.9
55.01865	2.6
55.05514	8.8
56.96564	6.7
57.01072	1.1
57.03436	4.8
57.07066	2.5
65.03948	11.7
67.05508	26.4
69.03443	6.3
69.07074	46.3
69.31841	8.3
70.94262	4.2
70.95866	2.6
71.04997	2.8
71.95277	5.4
79.05501	22.4
79.66342	0.9
80.05035	1.1
81.06592	1.8
81.07063	33.9
83.04977	8.7
83.08645	5.2
85.06512	1.0
88.95286	1.6
91.05483	6.9
93.03421	8.9
93.07050	37.8
95.01266	0.9
95.04967	3.5
95.08615	20.8
96.01613	1.0
97.05924	1.4
97.06543	20.3
105.07027	1.1
107.01741	1.5
107.04987	5.0
107.08604	43.8
108.04518	1.2
108.05254	1.6
108.08132	1.1
109.06501	3.0
109.10168	32.1
109.52091	1.6
110.01278	3.2
110.03686	2.0
110.09642	1.2
110.10500	0.9
111.04459	18.3
111.08105	8.1
111.11718	1.6
111.86577	1.0
111.96873	4.2
115.52045	2.0
116.00236	1.3
118.01000	1.5
119.01857	1.7
119.04926	1.2
121.52084	1.1
125.05994	10.1
125.09613	1.8
127.02837	1.3
129.97961	2.1
135.04462	2.3
135.08092	2.1
135.11703	90.0
135.19519	1.0
136.03944	17.6
136.04884	1.0
136.07562	1.6
137.05968	7.9
141.85867	0.9
142.85768	0.9
153.01976	0.9
153.05515	9.7
153.06483	2.3
153.07451	4.4
153.09132	4.3
153.12756	100.0
154.05000	3.3
154.08621	1.8
154.13142	1.1
158.99672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00312	2.1
53.03936	3.7
55.01860	1.6
55.05513	14.2
56.96559	2.8
57.03432	2.3
57.07064	1.3
58.65044	1.1
59.05000	7.8
59.05239	1.5
65.03941	16.3
67.05508	12.2
69.03419	3.3
69.07066	12.8
70.06582	2.7
70.94264	6.7
70.95864	2.1
71.04993	38.0
71.51009	1.4
73.06556	22.6
75.44492	1.2
79.05497	38.2
81.03423	2.1
81.07058	100.0
83.04984	8.0
83.08627	3.0
84.08139	2.3
85.06503	1.3
91.05479	14.7
93.03413	18.4
93.07049	49.8
93.07642	2.4
94.06604	1.6
95.04968	34.8
95.08610	8.9
96.05267	1.8
97.06528	13.9
97.07665	1.0
105.07035	4.1
107.04972	16.1
107.06899	1.8
107.08598	49.5
108.05278	4.8
109.06521	5.9
109.10172	9.3
110.03666	3.2
111.04453	25.3
111.08105	6.3
111.96868	4.0
111.98420	1.2
119.04935	1.9
119.06080	1.0
119.08570	1.9
120.05707	1.6
123.04422	1.6
124.05241	2.6
125.05992	18.4
125.09624	2.7
129.97864	1.2
134.05988	1.0
135.04440	6.1
135.06371	1.0
135.08035	4.5
135.11699	31.5
136.03856	5.1
136.04808	4.4
136.07527	1.8
137.05989	16.7
144.05855	1.5
153.05492	15.7
153.07466	6.3
153.09094	6.5
153.12740	21.6
154.04976	2.2
154.08626	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Dopamine
Peak:m/z	Relative Intensity
65.03929	1.0
65.38649	0.1
69.27798	0.2
70.86652	0.3
70.87000	0.2
71.94075	0.2
72.27549	0.1
79.05483	0.1
81.07063	0.5
91.05482	29.8
92.05811	0.2
100.86323	0.1
101.87717	0.2
109.06511	1.9
119.04941	20.4
120.05290	0.3
120.96027	0.1
131.96167	0.3
137.05977	100.0
138.06322	1.6
154.08635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
50.05623	0.6
58.06142	0.6
70.99020	0.7
71.11096	1.1
74.09724	15.4
96.96921	3.8
98.03722	0.8
112.05266	12.2
117.52801	0.6
130.06316	15.4
134.15723	0.6
156.04222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0769
Annotation	Histidine
Peak:m/z	Relative Intensity
52.74843	0.3
55.01889	0.3
55.93532	0.5
56.05059	0.6
56.28210	0.4
56.96582	0.9
61.02921	0.4
68.05034	0.5
69.07090	0.5
69.96181	0.4
70.06612	0.7
70.95862	6.5
70.96916	0.7
72.08164	0.7
72.93784	4.5
74.09720	2.1
78.52970	0.4
81.04567	1.0
82.01466	1.2
82.05308	2.3
82.99854	0.5
83.06109	8.8
84.01569	0.3
84.08163	1.2
85.01416	1.8
85.07721	0.3
87.50065	0.3
88.96915	1.1
90.94839	0.7
91.05485	1.4
92.05812	0.3
93.04530	6.9
93.05095	0.5
93.06120	0.4
95.06090	8.1
96.96906	0.6
98.02888	0.3
98.06088	0.3
98.09692	5.4
100.02479	1.5
100.38570	0.3
101.00889	3.9
103.02441	2.9
108.07087	0.3
110.07167	100.0
111.05557	0.5
111.07479	0.9
111.98464	3.9
112.05256	1.5
112.51513	0.3
113.00903	0.4
114.04066	0.5
114.94820	0.4
115.00632	0.5
115.02438	2.7
119.01151	0.5
119.01923	6.0
119.04934	0.8
121.03399	0.7
121.05562	0.6
124.02387	0.6
126.03989	0.3
128.07039	0.4
129.99484	1.2
130.06339	2.0
130.86592	0.3
131.54391	0.3
131.96132	1.0
132.05042	0.5
132.95816	12.8
133.01614	0.9
133.03467	9.4
136.07503	0.4
137.02931	0.8
138.03987	0.7
139.06494	5.4
139.08624	0.4
142.03493	3.3
149.97165	0.8
150.96858	10.2
151.04535	1.5
155.97388	1.0
156.04164	14.8
156.07690	12.5
156.10199	0.9
156.13835	1.7
173.98404	1.0
174.06113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45584	0.7
53.03947	1.2
55.05516	1.3
56.96570	7.0
57.03155	1.7
57.03441	41.7
57.07079	100.0
58.03792	0.7
59.04985	0.9
60.04528	0.8
61.02924	3.8
62.78987	0.8
67.05514	1.7
69.07046	0.8
70.06600	1.8
70.19601	0.8
71.04999	2.9
71.06936	1.1
71.95252	1.5
72.04528	1.2
72.08161	3.5
73.90189	0.8
76.93362	5.8
81.03445	3.1
81.07064	1.6
84.08163	2.3
85.02924	2.1
85.06548	43.3
86.09711	1.2
87.04510	2.3
87.05590	1.2
90.04283	1.2
91.05498	2.2
92.19758	0.8
94.94424	1.1
95.04982	0.8
95.08632	3.7
97.06586	0.8
98.09736	1.5
98.21541	2.3
98.97588	30.4
99.04478	1.7
99.93211	0.9
99.97945	1.8
103.05479	5.0
103.07590	32.0
109.02885	0.8
113.02398	3.3
113.06059	1.3
114.09219	3.1
116.98630	15.5
117.07063	2.6
117.95997	6.4
117.98972	1.3
118.06572	1.0
123.08061	1.0
130.06555	0.9
131.04964	4.4
131.08545	4.0
132.08075	4.2
134.99612	4.8
135.97079	2.8
141.01823	9.3
141.02750	1.0
141.09155	1.0
141.14685	0.8
149.06012	1.1
159.04451	2.0
159.06841	1.3
159.08095	4.0
159.09186	2.4
159.10231	33.8
159.11711	6.9
159.15771	8.6
160.05098	5.3
160.07738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0969
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.03938	0.9
55.01878	2.5
55.05511	2.5
56.05035	3.8
56.96581	0.7
57.03442	3.7
58.06588	0.7
58.99863	0.8
60.04530	1.5
60.08178	0.8
61.01146	1.8
61.02928	2.7
65.03971	0.6
68.05038	1.1
69.03435	4.7
69.07057	1.6
69.78397	2.5
70.06593	9.6
71.02989	3.6
71.05000	1.3
72.08167	4.2
73.02919	8.8
74.06083	2.9
76.02726	0.9
78.52959	2.8
79.05443	0.8
81.01907	1.1
81.03420	2.4
82.01443	2.5
82.06596	3.1
82.99869	2.1
83.04984	1.3
84.04525	2.9
84.08146	80.3
84.52995	0.7
85.01406	1.4
85.02911	4.1
85.08488	1.5
85.51938	0.5
86.02879	0.5
86.06077	2.8
86.09713	4.8
86.52702	0.9
87.04470	2.4
88.02209	0.9
88.02702	3.6
88.03979	0.7
88.07630	13.2
90.05527	0.5
91.05484	1.9
92.52688	0.7
94.02702	1.7
95.03461	2.5
96.08131	5.4
97.01405	0.8
97.02825	5.2
98.09705	8.5
98.21456	0.6
98.97589	0.7
99.04446	1.0
100.02492	7.0
100.07623	8.3
101.00888	16.7
101.02478	0.9
101.03469	2.0
101.06030	1.9
102.02411	2.7
103.02439	4.2
103.03193	2.1
104.07104	1.3
104.10754	0.7
105.07058	1.0
105.53426	0.6
106.52425	1.9
107.03446	0.7
109.03141	1.7
109.95802	0.6
110.03012	0.6
110.04008	1.0
110.54142	1.5
111.02934	2.2
112.07614	1.6
113.00882	0.5
113.02376	1.8
114.03770	4.5
114.05531	1.8
114.09171	13.4
115.02443	2.5
115.03186	1.2
116.04741	15.1
116.05614	0.9
116.07163	0.5
117.05741	1.3
117.47260	0.5
118.03522	3.8
118.06549	2.5
119.01927	46.6
119.04956	1.7
120.02058	1.8
120.04398	0.6
121.01644	0.9
121.03458	1.0
124.02472	2.6
124.03696	0.6
124.07600	0.8
125.07110	0.8
125.50239	0.6
126.03978	0.8
127.02423	0.7
127.03951	0.7
127.08559	0.5
129.03943	0.8
129.10220	1.8
130.08644	2.3
130.23964	0.6
131.01862	3.0
132.04390	3.5
132.08054	2.4
133.03468	13.4
133.04410	0.9
133.06487	0.6
134.03607	1.2
137.02965	13.0
137.03981	0.8
137.52446	1.0
139.04262	0.8
142.03503	34.7
142.08636	15.8
143.01929	1.5
143.09421	10.1
145.03503	3.6
147.11366	0.8
148.04694	1.2
151.04517	6.4
154.03490	0.6
155.01926	1.2
156.05020	0.8
157.03575	2.5
160.04637	15.1
160.07736	8.8
160.09692	100.0
160.13240	2.8
161.02948	3.9
161.09937	0.7
165.05141	1.3
173.02850	0.7
175.04520	10.4
176.04651	1.3
177.04260	0.6
178.05550	1.2
179.04074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27539	0.2
67.05497	0.2
70.78491	0.2
70.78851	0.6
79.30053	0.2
79.60122	0.2
82.99847	4.6
83.99911	0.2
84.26834	0.3
84.76680	0.2
85.01396	0.2
90.23360	0.2
100.00050	0.2
101.00886	46.0
102.00954	2.3
103.02428	0.4
107.05273	0.7
111.00430	0.4
111.04441	0.5
116.05814	1.3
119.01925	100.0
120.01995	4.1
121.01614	0.3
124.02518	0.4
125.02578	0.5
137.02963	16.9
138.03032	0.7
142.03493	1.5
143.01913	0.7
143.03641	3.1
144.03259	0.5
147.05051	0.3
159.03212	0.2
160.04495	0.3
161.02969	7.7
161.04585	0.8
170.35345	0.2
179.04016	7.8
180.04088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03941	0.9
55.05514	4.9
57.07093	0.6
67.05141	0.7
67.05503	13.6
69.07067	5.6
69.94362	2.3
70.68777	0.5
79.05495	16.3
81.07057	20.2
83.08612	0.8
91.05482	43.8
92.68472	0.5
93.07047	17.0
95.04988	1.1
95.08610	8.3
103.05496	1.2
105.07034	69.0
107.08608	4.1
115.05486	0.6
117.07001	5.6
118.06563	0.7
118.07840	0.7
119.08585	97.9
131.08543	3.1
132.09360	1.1
133.10130	64.7
134.10445	0.6
142.67371	0.5
145.10161	0.6
146.10896	1.3
159.11707	2.2
160.12556	0.5
161.05898	0.6
161.13258	100.0
162.13562	1.5
178.08852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
50.01597	0.6
51.02383	0.5
53.03944	2.0
53.11341	0.4
53.50739	0.4
53.50989	0.6
55.01868	1.0
55.05516	0.5
56.24572	0.4
57.03442	0.9
57.07059	0.5
57.10955	0.4
58.23845	0.4
58.84741	0.4
63.02385	1.8
69.03457	0.6
69.59934	1.1
69.60346	1.6
71.04989	0.8
77.03939	0.6
79.05497	10.7
79.05967	0.6
80.08547	0.5
81.02779	0.5
81.03415	0.5
81.07030	0.6
89.03919	61.4
90.04271	1.1
91.05489	4.6
93.07044	2.9
95.04971	1.7
96.52447	0.4
103.05473	14.7
105.04513	0.6
105.07013	1.8
107.04955	14.0
107.08607	2.3
115.05415	0.9
117.03381	55.5
117.07053	2.6
118.03706	0.9
119.04972	0.6
119.08606	1.5
121.06501	1.6
121.10140	2.0
130.06569	0.5
131.04932	17.5
135.04416	92.5
135.11722	1.3
136.04796	0.6
143.60493	0.5
145.02852	45.3
145.03864	2.1
145.10150	2.4
158.05992	0.6
160.88252	0.6
163.03905	100.0
163.07532	5.9
163.11171	5.5
163.12364	0.7
164.04221	0.7
168.16019	0.5
177.02675	0.5
180.42087	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.87978	0.5
53.03950	2.6
56.96564	0.6
61.75731	0.6
63.02369	1.1
69.03429	0.7
69.07078	0.8
70.75754	1.2
71.05026	0.7
77.03933	0.6
79.05495	9.9
81.07060	1.3
88.82718	0.5
89.03922	54.0
90.04275	0.6
91.05489	2.1
93.07047	3.0
95.04970	2.6
98.97599	0.7
100.02499	1.2
103.05474	12.6
105.04538	1.2
105.07037	1.5
107.04970	13.2
107.08590	3.8
117.03384	52.4
117.07010	0.7
118.03712	0.8
119.01811	0.5
119.08598	3.1
121.10146	3.0
130.06563	0.5
131.04936	16.0
132.08115	0.7
133.02951	1.1
135.04420	87.1
135.11649	0.6
136.04768	1.0
145.02855	43.3
145.03868	1.9
145.10143	2.3
163.03909	100.0
163.07486	5.0
163.11183	8.5
163.12393	0.8
163.14813	0.9
164.04222	1.3
164.07004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03955	1.2
55.01877	0.8
56.96560	0.5
57.03445	0.9
63.02389	1.2
67.05525	0.6
69.03439	1.0
69.07068	0.5
69.43136	3.1
71.04996	0.9
77.03922	0.9
79.05500	8.3
81.07053	0.8
85.02912	0.7
89.03921	45.8
91.05489	3.0
93.07043	3.0
95.04967	2.5
98.97556	0.8
100.02439	0.6
103.05473	12.2
103.06158	0.7
105.04511	0.8
105.07053	2.2
107.04964	10.8
107.08617	2.5
109.06512	0.5
115.05463	0.5
117.03386	45.7
117.07034	1.7
118.03728	0.5
119.04949	0.7
119.08615	1.8
121.06509	1.9
121.10145	2.4
122.03678	0.5
131.04929	13.2
132.02095	1.5
132.08101	0.5
133.02856	1.2
135.04419	71.2
135.08078	1.1
135.11711	1.7
136.07631	0.5
137.68344	0.4
145.02858	37.9
145.03877	1.7
145.10098	2.5
146.03191	0.8
163.03909	100.0
163.07515	4.5
163.11168	6.1
163.12352	0.6
164.04231	1.4
164.07022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.3
55.01879	1.1
55.05510	4.4
56.96571	2.3
57.03444	1.1
57.07083	1.8
61.02906	0.7
63.02370	1.0
65.03934	1.3
67.05510	1.8
69.03439	3.7
69.07076	2.6
71.51704	1.5
72.08170	0.8
75.06390	0.6
77.03938	1.7
79.05495	18.7
81.03420	0.9
81.07046	2.7
84.08153	0.9
85.02908	2.0
89.03921	47.4
89.06054	0.7
91.05482	18.8
92.05791	0.8
93.07046	41.4
95.04977	4.4
95.08590	0.9
96.01580	1.2
96.40329	0.7
97.32077	0.8
98.97606	2.0
99.04455	1.3
100.02506	2.3
102.96838	0.8
103.05471	19.8
105.02154	0.8
105.04509	1.7
105.07034	12.1
107.04958	14.9
107.08598	92.5
108.08950	1.6
109.06527	2.1
115.05447	0.8
117.03382	43.0
117.07021	3.4
118.03638	0.9
119.01773	1.1
119.06115	1.5
119.08587	10.7
120.09409	1.5
121.06519	2.5
121.09325	1.0
121.10143	17.3
128.02359	0.9
130.06529	1.8
130.07797	1.6
131.04929	23.5
132.08128	1.6
133.02844	1.8
135.04417	79.3
135.08070	2.5
135.11694	97.0
136.04742	0.9
136.12076	1.5
137.09637	0.9
139.53117	0.7
145.02852	37.6
145.03902	2.3
145.06505	1.2
145.10095	5.2
163.03906	100.0
163.07512	8.8
163.11163	18.0
163.12323	2.0
163.14862	3.2
164.04306	1.2
164.07047	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02377	1.1
53.03948	3.4
55.01867	1.3
55.05512	4.6
55.38655	0.6
56.26247	0.5
56.96559	1.5
57.03440	1.1
57.07063	1.7
63.02371	1.4
65.03938	1.1
67.05514	1.2
69.03427	4.3
69.07063	3.1
71.51847	0.7
77.03910	1.7
79.05499	20.2
81.03401	0.7
81.07055	2.4
83.00780	0.8
83.04980	0.6
83.08642	0.7
85.02905	1.7
89.03923	45.7
89.06029	0.7
91.05482	19.5
92.01297	0.6
93.07047	40.1
95.04984	5.0
97.02902	0.6
98.97589	1.6
99.04462	0.9
100.02474	1.0
102.05567	0.7
103.05473	16.5
105.03436	0.7
105.04507	2.6
105.07040	14.6
106.06535	0.6
107.04966	13.8
107.08599	90.1
108.08921	0.6
109.06515	2.3
115.05503	0.8
116.98635	0.6
117.03386	38.6
117.07024	3.7
118.03653	1.0
119.01824	1.4
119.06052	2.2
119.08583	10.7
120.09354	1.9
121.06503	2.7
121.09339	1.0
121.10149	15.5
122.07320	0.6
123.08029	1.0
130.06570	1.5
130.07759	1.4
131.04935	20.4
132.08092	1.8
133.02881	2.5
133.10129	0.8
135.04422	73.5
135.08061	1.6
135.11697	100.0
136.04713	0.9
136.12006	1.4
137.09592	0.7
145.02856	33.3
145.03932	2.0
145.06555	0.8
145.10129	5.3
163.03911	88.4
163.07536	8.3
163.11169	20.4
163.12279	1.2
163.14900	2.7
164.04231	0.8
164.07089	1.6
171.52106	0.6
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
51.02380	0.2
53.03944	1.3
55.01864	0.4
55.05512	1.2
56.96567	1.4
57.03437	1.0
57.07079	2.1
61.02910	0.3
63.02364	0.3
65.03925	0.3
65.40347	0.2
67.05500	1.5
69.03432	1.8
69.07074	2.0
69.79929	1.0
70.06572	0.3
71.04984	0.5
73.02901	0.3
77.03911	0.5
79.05497	7.1
81.03408	0.6
81.07054	2.6
82.01446	0.4
83.00783	0.4
83.04984	0.6
83.08626	0.4
84.08121	0.3
85.02901	0.7
85.47791	0.2
85.51048	0.2
89.03922	8.2
89.04479	0.4
89.06036	1.6
90.20789	0.2
91.05480	3.8
93.07055	6.2
94.51566	0.5
95.04966	2.2
95.08609	1.2
96.01567	0.5
98.97573	1.5
99.04446	0.3
100.02487	1.6
101.09644	0.3
103.05470	19.9
104.14360	0.2
105.03401	0.4
105.04498	0.6
105.07037	4.0
106.06599	0.2
107.04960	9.6
107.08596	7.1
109.06493	0.3
110.01292	0.5
110.97549	0.3
115.05466	0.8
116.98622	0.6
117.03384	7.2
117.05701	0.3
117.07021	4.1
118.03515	0.9
119.01807	1.2
119.04914	0.4
119.08577	2.5
120.06286	0.4
121.02893	0.3
121.06524	2.4
121.10150	4.5
121.52048	0.3
122.07307	0.3
127.03905	0.2
128.02275	0.3
128.98671	0.2
130.06529	0.9
130.07808	1.2
130.52588	0.8
131.04932	24.5
132.05290	0.3
132.08072	1.5
133.02888	1.9
133.06479	1.8
133.10022	0.2
135.04420	15.0
135.08051	4.1
135.11691	3.1
139.53061	0.3
140.98592	0.3
143.08583	0.4
145.01842	0.2
145.02855	6.5
145.03961	0.6
145.06479	1.3
145.10130	8.0
146.99666	0.2
147.08054	1.8
148.05214	0.4
148.08839	9.7
155.06041	0.3
155.48819	0.2
158.99658	0.3
163.03912	22.2
163.07550	8.9
163.11179	100.0
164.07018	1.5
164.11562	1.6
177.00745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
57.03450	0.5
59.01377	4.6
61.98825	1.8
65.03950	2.9
66.91259	0.3
67.01875	1.4
69.03454	0.6
71.01380	3.7
71.63349	0.4
72.99311	0.6
73.02948	0.8
75.00867	0.6
79.95738	2.4
80.96530	0.3
83.01402	0.5
85.02949	3.1
87.00877	0.9
87.04512	0.3
89.02454	1.6
91.01889	2.1
93.03451	28.1
94.03799	0.4
95.01391	0.8
95.95226	0.5
96.96012	4.4
97.02950	0.8
99.00896	0.9
101.02431	2.1
108.02151	0.4
109.02941	32.6
110.03294	0.6
111.00896	0.9
113.02436	2.2
119.03561	0.4
121.02966	0.3
123.04488	0.3
125.02426	1.0
129.01904	0.6
133.02904	0.4
134.03712	0.6
135.00874	10.1
135.04425	0.4
136.01602	1.2
137.02432	50.4
138.02740	0.9
138.97035	0.3
143.03516	0.8
149.02449	0.4
150.03172	0.4
151.03970	0.4
153.01924	100.0
154.02284	2.3
161.04471	0.7
165.05499	0.4
179.03474	1.4
193.05104	0.3
209.06676	0.7
216.61702	0.3
238.98621	0.4
241.00180	0.6
256.99719	1.7
263.05414	0.3
267.07220	1.1
281.06641	2.1
299.00784	0.5
373.08890	0.7
391.10330	0.6
443.11920	1.9
477.12439	1.0
537.30322	0.6
553.15656	2.8
596.26538	0.8
597.14423	39.5
597.25787	4.0
598.14648	3.7
598.24713	0.4
598.26398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24969	0.3
51.75249	0.3
57.03411	0.5
59.01375	5.0
61.98838	1.8
63.10197	0.3
65.03953	0.7
69.03445	0.7
71.01381	2.7
72.99306	0.4
73.02964	0.4
75.00871	1.1
79.90182	0.3
79.95742	3.6
80.96516	1.5
83.01389	0.5
85.02953	1.2
87.00865	1.2
87.04533	0.3
88.98802	0.5
89.02439	1.0
93.03450	41.1
93.62292	0.4
94.03788	0.9
95.01344	0.7
95.95217	0.7
96.96006	12.0
97.02960	0.5
99.00871	0.4
101.02431	1.5
103.81425	0.3
111.00897	1.0
113.02447	1.0
119.03471	0.4
120.99651	15.3
121.02951	2.2
123.00892	1.4
124.01651	1.7
125.02428	5.5
129.01941	0.7
133.02882	0.4
134.03725	2.0
137.02434	100.0
138.02771	2.0
138.97023	0.4
141.01962	0.4
149.06079	0.4
149.99580	4.4
151.00420	0.6
153.01906	0.7
154.96497	0.3
160.01654	3.5
167.03503	0.4
168.00630	8.0
169.01431	0.8
175.03993	4.7
193.05043	1.9
204.71268	0.4
206.38844	0.4
238.98624	1.1
241.00252	1.6
256.99759	3.4
280.99591	0.6
283.01202	0.4
299.00797	1.0
337.09152	3.0
345.96317	0.4
359.70905	0.4
417.21268	2.0
423.83539	0.4
459.09586	0.6
475.12363	5.7
476.12354	0.7
537.30615	0.5
553.19775	1.8
554.20361	0.5
597.14838	14.4
597.25964	9.8
598.15729	1.2
598.26624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50148	0.9
55.01873	0.9
56.29033	0.8
56.33493	1.0
57.03437	3.2
58.00600	1.0
58.02963	2.4
59.01093	2.0
59.01377	29.9
61.98838	2.0
63.33985	0.9
67.82336	0.9
68.99812	3.4
69.03450	3.4
70.02983	0.9
71.01378	17.9
71.62385	1.7
72.99316	3.6
73.02950	1.3
74.02471	11.2
77.82562	0.9
83.01382	3.2
84.04529	0.8
85.02945	15.0
87.00882	3.1
89.02441	9.3
95.01377	2.9
96.95995	2.8
97.02955	7.5
98.02461	4.6
99.00865	3.6
99.04494	1.5
101.02418	6.9
108.02140	3.3
109.02944	1.5
111.00858	1.7
113.02448	4.9
115.03981	2.1
116.03536	5.8
116.05061	2.1
118.10174	0.8
119.03484	3.3
123.04531	3.5
128.03511	1.3
129.01945	11.1
132.04538	3.0
134.03671	0.9
135.11790	2.4
137.02408	3.4
138.03169	1.1
141.01932	2.6
144.04546	1.3
146.03728	2.8
150.03189	2.5
157.07675	1.1
159.02930	2.1
161.02342	1.5
161.06169	1.0
161.09686	2.3
162.03276	1.2
163.03970	1.0
164.04765	2.8
177.05533	3.6
178.02711	6.2
179.03470	1.0
179.05673	1.5
179.07153	4.3
179.10762	15.8
180.11111	0.9
191.05644	4.3
193.05026	9.5
203.08289	7.1
209.06671	5.2
215.08144	1.6
223.09724	12.5
228.15781	0.9
245.09279	17.9
246.09286	0.9
261.08765	9.7
270.48923	0.8
283.10858	1.4
300.03033	1.0
315.75934	0.9
343.11847	1.8
371.16980	2.0
373.12869	35.9
374.13049	2.2
403.11102	1.3
403.15967	7.4
403.20486	1.2
415.16061	15.8
416.16275	1.4
433.15182	1.5
497.64905	0.9
545.19025	1.7
595.22339	100.0
596.22760	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	595.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03447	4.3
58.00576	1.6
58.58590	0.6
59.01377	30.9
67.01883	1.6
68.99807	1.8
69.03462	3.8
69.78471	1.8
69.78880	1.1
71.01379	17.6
72.99306	4.4
73.02963	0.8
75.00851	0.6
78.69426	0.6
83.01373	2.5
85.02946	16.1
87.00874	4.2
87.04488	1.4
89.02436	12.7
95.01350	1.9
96.50587	0.5
96.96003	2.9
97.02942	5.4
98.19872	1.1
99.00889	4.0
101.02444	8.0
103.08746	0.6
111.00865	2.3
113.02444	6.9
115.03990	2.5
119.03493	4.2
121.06610	0.6
129.01071	0.7
129.01939	10.3
131.03494	0.6
135.04497	1.8
135.11774	2.5
137.02448	0.8
138.05640	0.7
140.87801	0.7
141.01912	2.6
143.03458	0.7
154.06537	0.6
157.42674	0.6
159.02998	0.9
161.02396	0.9
161.09674	1.1
162.03209	0.7
177.05547	1.0
179.03482	0.7
179.05557	1.6
179.10773	14.2
189.33800	0.6
191.05611	5.5
198.10359	0.6
209.06639	6.5
223.09727	7.0
241.00316	0.7
255.02815	0.7
267.06610	0.6
271.02435	1.6
295.06042	2.3
300.02701	2.7
301.03366	1.0
310.08478	2.4
313.06708	0.6
325.10864	1.4
371.17020	2.0
373.12872	3.7
403.11206	1.0
403.15979	2.6
415.16049	9.6
535.27521	6.9
536.27942	0.8
545.18707	1.3
577.21124	0.8
595.22363	100.0
596.22742	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	595.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53041	1.9
54.04549	1.9
59.01373	41.8
61.98821	5.6
66.91804	1.7
68.23951	1.7
71.01374	13.6
71.63531	2.2
72.99312	3.7
73.02956	2.3
75.00860	4.3
79.95734	5.0
83.01369	2.4
85.02952	7.7
87.00865	5.8
89.02437	9.1
95.01376	1.7
96.96013	20.7
97.02959	2.3
101.02440	9.2
111.00854	3.6
113.02448	6.4
119.03500	2.0
135.04437	3.8
137.02455	1.7
140.01147	1.7
145.02960	2.9
149.02438	3.1
161.02415	3.6
175.03851	2.1
192.96194	1.8
193.05013	2.7
209.06598	5.5
227.05507	2.3
238.98834	2.2
239.07091	5.7
241.00275	3.2
251.06990	2.1
255.06549	2.5
256.99649	3.2
257.91690	1.9
262.63736	2.0
266.05807	6.8
267.06610	20.3
277.05081	3.6
278.05865	2.1
279.06625	3.8
280.07330	4.0
281.08090	3.1
282.08951	2.7
283.06131	6.9
293.08206	2.7
294.05380	6.3
295.06076	47.8
296.06503	4.8
297.07721	5.1
298.08417	10.6
307.06122	2.0
309.07639	10.9
310.08395	42.3
311.08884	4.2
313.10751	23.6
323.09393	2.1
324.09995	2.2
325.07120	9.5
325.10699	50.2
326.11099	2.7
337.11057	1.8
339.08618	2.4
340.09506	11.3
353.08731	2.4
355.11865	13.9
371.09775	2.9
373.12885	23.6
374.13147	2.5
487.15930	2.6
517.17120	7.5
535.18140	100.0
536.18207	8.3
595.23541	12.8
596.26471	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03433	1.3
58.00580	2.3
58.29472	1.1
59.01376	100.0
69.68153	2.4
69.68558	4.2
71.01377	55.1
72.99297	4.0
73.02930	3.4
78.95946	1.3
83.01367	1.9
85.02944	12.8
87.00863	3.0
89.02438	58.6
95.01386	3.7
96.96009	10.6
99.00872	2.0
101.02438	31.2
113.02448	23.2
119.03491	30.5
125.02389	2.3
131.03473	2.5
134.03717	1.3
143.03461	6.5
149.04495	3.0
161.04541	8.8
179.05589	26.1
206.08022	1.8
269.20258	1.2
272.36710	1.2
384.28265	1.3
389.22110	1.3
533.18872	2.5
533.25934	51.4
534.26147	3.8
593.14587	2.0
594.53278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03086	1.0
57.03440	1.5
59.01374	46.4
59.78876	1.0
61.98813	2.7
68.99799	1.5
69.03445	2.3
71.01376	12.8
71.73228	1.2
72.99279	3.9
73.02934	2.6
74.02444	1.7
75.00861	4.2
79.95731	77.2
80.96065	1.4
80.96510	23.3
81.03458	1.4
83.01367	3.4
85.02939	7.1
87.00871	6.4
89.02437	3.8
95.01365	1.3
95.95216	12.2
96.96003	100.0
97.02925	1.3
98.20649	1.9
99.00833	3.9
99.04494	3.9
101.02410	4.3
111.00874	12.0
113.02442	7.4
115.00365	1.8
116.05069	1.5
119.03430	2.3
119.92635	0.9
120.96010	5.9
122.41516	1.0
125.02442	1.2
129.01924	4.8
138.97066	7.6
141.01909	2.5
150.97060	1.2
152.25505	0.9
153.01889	1.7
159.02937	1.2
161.13319	1.9
163.53502	1.1
179.05559	1.3
192.98082	2.2
193.05035	1.5
201.04034	3.0
205.12233	4.3
222.99190	1.3
238.98549	5.1
241.00186	5.0
249.11131	2.5
251.16301	1.9
253.00090	2.4
256.99731	10.3
270.03705	1.0
280.99677	14.2
283.01273	9.0
284.03192	4.4
285.03494	3.7
286.03571	3.5
299.00760	44.6
299.05692	1.9
300.00885	2.3
300.05804	2.4
301.06155	1.7
342.99570	3.4
360.09866	6.4
360.59961	2.8
361.09375	1.2
372.16241	1.1
377.13345	1.1
411.20807	1.2
429.21442	2.6
437.14584	1.6
445.47379	1.1
471.22168	8.8
472.22583	1.5
509.16791	4.5
509.61066	1.3
535.28510	1.4
551.17987	89.1
551.30969	4.6
552.18475	7.6
595.16663	78.6
595.23773	5.0
596.16730	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	593.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03434	2.6
58.00576	1.4
59.01095	1.6
59.01375	29.1
60.32185	1.0
61.98821	1.3
69.03465	1.3
69.48827	6.2
71.01378	44.4
72.99277	2.5
73.02935	12.4
79.93173	1.2
79.95746	1.7
83.01389	7.1
83.07025	1.1
85.02946	21.4
87.00864	4.2
88.98824	4.9
89.02439	12.8
95.01397	4.1
96.96002	7.0
97.02950	3.2
99.00884	6.5
101.02438	34.8
109.02972	2.1
111.00822	1.9
113.02455	18.1
119.03515	5.0
125.02445	2.9
129.01915	3.5
131.03482	1.3
133.02885	1.2
134.03705	1.8
143.03506	2.7
149.06096	1.1
151.03937	1.1
152.03537	2.7
159.02956	3.1
161.02364	1.1
161.04568	14.0
165.01875	1.1
167.03528	1.0
175.03998	1.2
177.02003	1.5
179.05562	3.3
193.05067	3.0
209.06656	9.1
209.15530	1.9
210.06938	3.4
218.71304	1.0
227.03546	5.3
229.05096	2.5
241.00215	2.8
242.00644	1.4
242.99919	3.8
255.02885	10.5
256.03583	1.8
257.04303	1.2
284.03278	12.5
285.04004	16.8
286.04306	1.6
323.09842	1.3
345.13486	2.5
349.19913	2.2
371.11243	1.2
371.20700	24.3
395.29288	1.1
431.18576	1.8
471.80151	1.0
533.25964	100.0
534.26501	9.6
593.14349	18.9
593.22412	3.8
594.15283	2.9
620.69293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2808
Annotation	Dictamnoside G
Peak:m/z	Relative Intensity
52.67119	0.5
55.01865	1.6
57.03434	2.1
58.00592	3.5
58.11753	0.6
59.01375	86.7
60.01701	0.6
61.98815	0.7
69.43016	0.8
69.43422	3.9
71.01377	51.9
72.99306	4.7
73.02943	4.3
79.85501	0.6
79.95755	1.0
83.01389	4.8
85.02943	13.0
87.00852	2.8
89.02439	43.2
89.57734	0.5
90.02793	0.8
95.01373	4.4
96.96014	3.0
97.07388	0.5
98.19910	1.1
99.00884	2.2
99.04537	1.1
101.02432	30.6
103.38963	0.6
113.02441	19.4
119.03487	15.3
129.01970	1.4
131.03500	1.4
143.03474	2.7
147.04562	1.7
149.04532	0.6
150.03305	0.7
152.03456	0.7
159.02998	1.4
161.04567	2.6
162.03212	1.7
167.38411	0.6
172.18315	0.5
177.05548	1.7
179.05617	5.5
193.04976	1.0
200.62950	0.6
209.06688	1.2
235.16931	6.1
241.00125	3.6
251.16466	1.7
287.20248	1.6
295.66843	0.6
303.69650	0.6
313.10962	1.1
351.21722	14.0
352.22418	0.9
371.11508	1.4
383.07718	1.6
383.96933	0.6
401.08591	0.7
413.21759	93.5
414.22208	6.5
549.17297	0.8
593.28333	100.0
594.20013	0.9
594.28656	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	593.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
62.13763	0.5
62.96724	0.6
64.43791	0.5
64.77927	0.5
65.00266	0.6
67.44933	0.5
69.53896	0.5
78.95898	65.3
96.96949	9.6
98.20649	1.3
114.17491	0.5
150.97992	0.9
152.99576	93.9
153.99902	1.3
171.00623	2.4
223.00101	9.1
224.00275	0.5
226.10085	0.6
241.01160	23.1
242.01419	0.7
259.02219	1.4
259.20294	0.6
277.21689	46.5
278.22070	3.3
295.02921	0.5
315.04843	12.7
333.05823	0.9
370.37674	0.5
515.11938	0.6
593.27240	100.0
594.27631	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	593.2263
Annotation	Isogilletine N-oxide
Peak:m/z	Relative Intensity
59.01375	2.7
59.81117	0.4
69.64594	3.0
71.01363	2.9
73.02919	0.7
74.02458	1.1
79.95725	7.7
80.96511	3.8
83.01382	0.7
83.62743	0.4
85.02950	1.7
87.00858	3.1
89.02428	0.9
96.96003	37.0
97.02927	0.6
98.19950	0.7
99.00883	0.6
101.02425	3.1
113.02459	2.9
116.03573	0.4
122.97646	0.5
126.44398	0.4
134.03723	0.6
138.97107	2.6
139.76956	0.5
146.46407	0.5
150.97035	1.1
153.01875	0.8
161.04543	0.5
165.05525	0.5
166.96542	5.7
179.05650	0.6
193.04979	0.6
203.08266	1.2
241.00204	100.0
242.00534	1.7
245.09315	3.1
305.21085	0.7
351.21710	56.1
352.22028	4.3
449.04459	0.5
470.06989	0.5
593.22668	83.5
594.22980	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	593.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13284	1.2
52.55323	1.2
53.09143	1.6
55.01844	2.3
56.50043	1.3
57.03441	12.2
59.01375	37.0
59.93073	1.5
61.98796	1.3
67.01845	1.9
68.13019	1.7
68.99803	3.7
69.03412	5.5
71.01381	18.0
72.99306	7.3
73.02926	4.3
73.16541	1.5
75.00842	1.6
77.77632	1.4
79.95731	26.3
80.96484	4.3
81.95326	1.5
82.94222	1.6
83.01337	5.4
84.02110	2.6
84.15274	1.6
85.02948	41.2
87.00874	14.8
87.04486	3.1
89.02412	5.7
95.95222	9.0
96.96005	54.6
97.02948	10.3
98.95539	3.0
99.00867	8.0
101.02391	6.7
111.00802	6.4
111.01445	1.3
113.02390	5.0
115.03967	4.3
120.95950	1.7
127.00352	2.7
129.01932	35.1
131.03481	3.7
133.02887	3.5
134.03705	2.7
135.04510	21.4
136.01601	1.4
138.97003	2.3
141.01819	5.7
143.03358	1.8
147.04590	1.8
150.03223	2.4
151.00179	1.5
151.11206	1.8
151.97784	2.0
159.02962	6.9
160.01570	1.8
161.02420	18.3
174.03122	2.8
176.04659	1.8
177.04010	2.6
177.09073	2.5
179.03476	11.2
191.03923	1.6
191.05562	17.1
195.06494	2.1
195.10286	10.2
203.03033	1.6
209.06635	100.0
210.06850	3.6
219.06367	1.6
238.98477	3.2
239.09283	8.7
241.00211	2.7
251.06903	1.8
256.99713	11.3
265.04858	2.3
279.06534	2.5
282.05194	5.2
284.03070	2.4
294.05206	1.8
297.07797	7.5
298.07935	2.2
309.07458	3.4
312.09848	3.3
322.04553	3.3
323.05237	1.8
324.06238	3.1
327.12283	2.4
336.05951	1.6
337.07159	10.0
338.07632	2.1
339.08466	1.7
341.06302	3.3
351.08389	2.1
352.09048	4.7
353.08499	16.4
356.08734	4.0
360.09903	37.1
360.60010	29.2
361.09946	16.8
361.60004	3.1
368.08685	2.9
369.09430	3.4
371.09946	22.6
372.09775	2.2
383.11359	32.7
401.11862	6.7
427.11850	3.2
431.15546	22.0
463.19504	5.6
464.19925	2.5
479.19406	1.8
563.17725	15.5
564.17145	2.5
575.09937	1.8
575.17688	20.8
576.17126	2.4
593.18286	61.5
594.19153	8.0
616.38867	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.5
61.98816	1.5
63.02401	0.4
63.64101	0.4
65.00313	0.4
69.40730	2.7
69.41143	0.8
73.02921	0.4
75.00845	0.5
79.95744	0.6
83.01395	0.7
85.02932	1.3
87.00872	1.1
88.98776	0.4
89.02458	0.8
93.03432	0.7
96.96030	2.3
101.02424	1.0
107.01375	1.3
109.02960	0.5
113.02426	0.8
119.59262	0.4
119.67289	0.4
129.01907	0.4
132.02139	1.0
135.00888	0.9
143.04997	0.7
151.00363	2.9
152.00975	0.3
153.01974	0.6
159.04445	0.7
163.00331	1.8
164.01047	0.4
175.03909	0.5
183.04558	1.0
185.02272	0.4
185.06032	0.8
187.03958	1.4
189.05589	0.5
196.05170	0.4
199.03995	0.5
203.48524	0.4
209.06566	0.5
210.58572	0.4
211.03943	1.6
213.05475	1.1
227.03459	33.1
228.03917	1.6
229.05031	4.4
239.03351	0.6
240.04187	0.9
241.00142	0.8
241.04916	0.5
255.02950	64.8
256.03586	5.8
257.04568	3.0
267.02905	0.6
269.04550	0.9
284.03229	86.1
285.03967	32.9
286.04266	1.2
327.05096	0.9
351.21805	0.4
431.19043	0.5
450.89856	0.4
460.85880	0.4
593.15051	100.0
593.23346	3.6
594.15344	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	593.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03444	6.2
59.01374	20.9
64.08463	0.5
68.99810	1.1
69.03441	4.1
70.76573	1.2
70.76920	0.4
71.01375	7.0
72.99303	2.0
73.02942	1.7
79.01888	1.0
79.16587	0.5
83.01392	3.8
84.02155	2.5
85.02944	23.3
87.00872	10.7
87.04506	1.1
89.02442	2.7
92.59245	0.5
95.05004	0.7
96.95985	2.1
97.02937	6.0
99.00845	3.4
99.04504	0.6
101.02434	2.0
103.00353	0.5
111.00884	4.2
111.04503	0.6
113.02498	2.4
115.04023	1.0
118.13460	0.5
119.03506	0.7
120.01239	2.1
123.00845	0.9
123.04511	23.1
128.52515	0.5
129.01932	21.8
135.10538	0.5
141.01938	9.3
153.05563	26.9
155.03488	0.7
159.02982	4.4
161.02328	0.7
161.04532	0.5
167.03442	1.5
173.04475	1.3
175.04028	0.5
177.01999	0.7
179.05600	0.6
191.05554	2.1
196.77618	0.5
197.25108	0.5
201.04007	5.5
209.06639	100.0
210.06992	2.0
221.08537	0.6
233.06622	1.3
255.03102	1.2
277.05624	10.8
284.03308	1.1
297.07559	1.5
301.05780	0.8
310.74146	0.5
323.09753	1.1
337.66730	0.7
353.06671	3.8
357.11902	1.4
383.07751	1.4
441.46951	0.6
473.10806	1.1
593.16858	40.6
594.17242	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	592.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02498	0.1
61.98825	1.4
62.41993	0.1
71.01371	0.3
71.62743	0.2
78.95895	1.8
79.60297	0.1
79.95734	2.5
84.68458	0.1
85.02956	0.2
96.96004	100.0
96.96881	2.9
97.02910	0.1
97.95949	0.3
113.02412	0.2
121.85802	0.1
152.99576	0.2
182.48883	0.1
192.13005	0.1
279.23328	1.2
454.70593	0.1
507.27621	0.3
508.27313	0.2
529.30139	1.8
557.46002	0.1
592.28632	0.2
602.49628	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57574	1.3
57.03432	2.5
59.01379	100.0
61.98828	12.6
69.03424	1.5
69.29224	13.4
69.95482	1.3
71.01379	22.4
72.99302	1.8
73.02934	5.6
75.43927	1.3
80.96519	1.5
83.01371	3.8
85.02953	10.5
87.00864	2.4
89.02466	7.0
95.01373	2.4
96.96000	11.2
98.20639	2.8
99.00890	3.5
101.02428	10.4
111.70824	1.6
113.02428	9.9
129.01888	1.4
134.03708	1.6
143.03453	1.6
161.04509	6.0
171.13885	1.8
193.04965	1.8
218.17126	1.3
242.83511	1.6
308.08017	1.3
321.91690	1.6
343.28400	2.0
487.32706	62.0
488.33078	5.3
505.33780	25.4
506.33899	2.8
531.27856	2.4
547.34821	6.2
591.33282	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	592.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84772	0.4
54.87032	0.4
55.01884	0.6
55.16002	0.4
57.03444	4.3
59.01374	16.7
60.99310	0.7
61.98846	0.5
68.99822	0.7
69.03452	2.1
69.26069	4.4
71.01376	6.1
72.99303	1.5
73.02964	1.2
79.95732	1.0
83.01381	2.6
84.02167	1.0
85.02940	16.7
85.03432	0.9
87.00871	6.4
87.04540	0.6
88.98798	3.2
89.02436	3.4
95.01383	0.6
95.05042	0.9
96.96019	3.1
97.02927	3.5
99.00843	2.3
99.04536	0.6
101.02444	2.8
109.02954	1.0
111.00871	3.0
111.04500	1.0
111.24751	0.4
113.02446	2.7
115.04021	1.4
119.03516	0.5
121.02972	0.6
122.03737	8.9
123.00874	0.4
127.04042	0.6
129.01929	11.7
130.08699	1.1
135.04509	0.8
137.32635	0.4
141.01915	6.5
152.03519	100.0
153.01915	0.9
153.03856	1.8
154.02365	0.6
155.03461	0.7
159.03001	3.7
161.04405	0.6
161.13219	0.7
173.04498	0.6
176.22491	0.5
178.69814	0.4
191.05602	2.1
193.05128	0.5
201.04016	3.4
209.06635	59.6
210.06966	1.7
215.76834	0.4
233.06601	1.5
241.00166	1.8
242.00505	0.8
249.11165	0.6
250.11569	0.5
277.05591	5.4
332.19333	0.9
350.20456	0.8
363.56519	0.5
413.21539	1.8
429.17505	0.6
430.17929	1.3
439.11032	3.4
502.26355	2.0
592.14856	14.9
592.22443	1.3
593.15283	1.4
593.27478	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2609
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.28313	0.5
61.98817	0.6
70.87886	0.8
70.88208	0.7
78.95874	0.6
82.73508	0.5
83.87677	0.4
94.13374	0.5
106.06641	0.7
124.23360	0.4
145.13101	0.4
226.46880	0.5
324.78540	0.5
415.19131	0.6
430.22107	0.5
443.22391	1.6
445.20288	1.7
455.22528	0.7
456.23358	0.8
457.20963	0.8
458.21008	1.0
459.21677	2.8
471.20895	1.4
471.25659	2.1
472.22873	2.4
473.23557	1.3
482.20892	1.3
485.19739	2.0
487.25739	3.0
497.23416	3.5
499.21115	3.2
500.22092	13.0
501.22443	1.3
503.21436	0.7
513.22888	0.6
514.23718	1.3
515.24469	100.0
516.24884	12.1
518.23431	0.8
559.23517	5.1
560.23688	0.8
591.26611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01374	4.3
60.42649	0.4
60.99281	0.6
61.98811	0.6
66.37847	0.4
68.32394	0.4
69.03437	0.7
69.98380	0.4
71.01370	3.8
71.63422	0.5
71.65411	0.4
72.99294	0.6
73.02943	0.8
75.00875	0.6
79.95740	2.1
83.01367	0.6
85.02935	2.2
87.00848	0.9
88.98798	1.5
89.02439	1.4
93.03405	1.1
96.96006	10.2
97.02907	0.8
101.02444	1.3
109.02936	1.1
111.00826	0.7
113.02444	1.3
114.27934	0.5
121.02951	3.4
122.03725	1.5
123.00890	1.6
129.01956	1.0
133.02879	0.6
133.05077	0.5
134.03726	2.3
135.04562	0.8
136.01656	27.6
136.07681	1.0
137.02487	5.0
149.02371	0.7
149.06046	0.8
151.00375	10.4
151.03996	40.4
152.04611	1.0
153.01837	0.7
160.01620	1.3
160.05293	0.7
161.02446	0.8
161.04553	0.5
162.03273	0.7
166.02699	36.9
167.03345	1.9
175.03970	1.8
175.07487	0.7
177.01901	1.6
177.05533	0.6
179.03426	0.8
179.05634	0.6
179.08215	1.2
181.05048	41.6
182.05330	1.1
190.06288	0.6
191.03439	0.8
192.04352	0.7
193.05069	2.9
195.02985	0.5
198.34296	0.4
203.07156	0.6
204.75586	0.6
205.08644	0.7
209.06665	0.7
221.06664	0.5
241.00267	2.3
249.11476	0.4
256.99658	0.5
267.07025	0.6
284.06668	0.6
323.09503	0.7
326.11566	0.5
329.10181	1.5
339.08676	0.9
349.20178	2.5
357.09750	8.2
360.09760	1.0
360.59869	0.9
367.10257	1.3
369.13364	1.7
372.12012	7.6
373.12766	0.5
385.11316	0.8
387.14435	100.0
388.14825	7.8
467.44144	0.6
547.27826	0.7
591.21667	1.5
591.26147	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	590.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98318	0.6
55.84606	0.6
57.03422	1.1
59.01382	6.2
61.98818	1.1
63.39679	0.6
71.01385	3.8
79.95721	0.9
85.02942	2.0
87.00880	1.1
88.98809	5.6
89.02436	2.4
96.96009	5.5
99.00840	0.7
101.02423	1.9
109.02968	0.9
111.00872	0.9
113.02438	0.8
129.01974	0.7
134.03737	5.3
135.04535	12.4
137.02440	0.7
137.09723	1.1
147.04497	3.7
148.05287	32.2
149.04745	0.7
149.06021	3.6
150.03177	1.2
151.03984	0.9
160.01738	0.6
161.02434	2.0
162.03197	0.8
162.05655	0.8
162.06848	2.8
175.03972	1.4
176.03525	3.5
177.04286	3.0
178.05072	23.0
190.05051	9.1
191.05623	0.9
192.06631	1.7
193.05154	0.9
209.06586	4.1
239.11635	0.7
249.11153	0.9
283.09625	1.1
327.11130	12.9
340.11752	1.9
342.13409	100.0
343.13696	7.1
358.13226	0.9
410.25397	4.7
429.17401	1.3
468.63974	0.7
546.19867	2.1
590.26257	2.2
591.22455	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98812	0.5
71.62624	0.3
72.99301	2.0
75.00867	100.0
76.79945	0.2
78.95917	0.8
84.56715	0.2
85.47991	0.2
90.32908	0.2
91.92689	0.2
96.95992	1.2
120.20432	0.2
127.92664	0.2
189.82530	0.3
197.10938	0.2
251.82970	0.2
277.21732	0.7
287.79324	0.2
469.87186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28989	0.3
58.76180	0.3
59.01376	100.0
60.01713	0.7
61.36321	0.3
61.98815	0.4
64.10562	0.4
71.61831	0.4
71.62255	0.5
96.96011	0.8
133.21825	0.4
156.45015	0.4
165.59877	0.4
213.15031	0.4
307.94266	0.4
323.34280	0.4
497.29245	0.5
531.30127	0.5
556.66516	0.4
589.34534	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.5
61.98830	0.5
69.36323	5.0
71.01363	2.7
72.99286	0.6
79.95736	0.8
82.95415	1.1
83.01357	0.6
84.95109	0.7
85.02945	1.0
87.00876	0.7
89.02446	1.1
95.12845	0.6
96.96001	4.3
98.20628	1.3
101.02443	1.4
104.24620	0.5
113.02410	0.9
121.02965	0.7
122.03756	0.8
126.14910	0.6
134.03702	4.5
135.04521	11.2
147.04489	4.3
148.05295	33.2
149.06122	3.9
150.03169	0.5
162.06831	1.6
163.06375	0.8
166.17616	0.5
176.03522	3.7
177.04268	2.8
178.05075	25.8
190.05081	8.4
192.06653	2.1
204.06665	0.6
232.79247	0.6
253.27458	0.6
283.09653	1.3
297.81461	0.6
326.10684	0.9
327.11078	10.9
328.11508	1.1
342.13416	100.0
343.13712	6.1
410.25299	1.4
470.10715	0.6
482.60727	0.6
546.19885	1.9
590.26172	2.3
591.23822	0.9
616.08545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57894	0.2
56.51891	0.2
57.03445	0.4
57.08894	0.2
59.01374	5.9
71.01379	2.3
72.99308	0.9
73.02937	0.7
75.00862	0.7
78.95887	0.5
79.95731	3.1
80.96522	1.4
83.01391	0.4
85.02946	1.9
87.00869	0.4
89.02440	0.7
95.95222	0.9
96.96004	55.4
97.02965	0.6
98.95576	0.6
99.00827	0.3
100.68146	0.2
101.02431	1.2
106.15427	0.2
111.00869	0.3
113.02445	1.5
119.03510	0.4
122.97614	0.3
129.01945	0.5
134.42471	0.2
138.97058	6.4
143.03574	0.3
150.97054	0.4
161.04474	0.3
164.98615	0.4
168.98134	0.5
179.05539	0.3
180.98024	0.4
191.05724	0.3
198.99182	3.9
238.98732	0.3
241.00206	2.3
256.99799	0.4
259.01169	1.4
371.20743	0.3
377.79416	0.2
395.20828	0.4
482.53558	0.2
483.29410	1.4
501.30789	0.3
587.31049	100.0
588.31354	10.9
588.41003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00817	0.5
58.68486	0.6
59.01377	18.4
61.98830	0.8
63.52606	0.4
65.56454	0.4
66.16367	0.4
67.67433	0.5
70.70142	0.4
71.01373	6.3
72.99303	0.8
73.02940	5.9
75.00872	0.9
79.95735	4.1
80.96500	0.7
83.01379	1.8
84.95100	0.9
85.02940	1.4
87.00862	1.1
89.02442	2.2
95.95224	1.1
96.95999	11.0
99.00854	0.6
101.02442	4.5
103.94870	0.5
113.02427	1.6
119.03546	0.9
119.05028	0.5
121.02987	0.4
130.08728	96.6
131.09058	1.6
138.97096	0.5
143.34822	0.4
238.98558	0.5
256.99725	2.5
322.20209	2.1
333.58749	0.5
360.09879	9.0
360.60004	2.5
361.09860	1.1
463.20050	0.7
484.25677	1.0
502.26819	3.4
544.27594	100.0
545.27850	9.5
584.45172	0.5
588.27808	0.9
589.18817	0.6
589.29095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.31
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57711	0.2
57.03431	0.6
59.01374	4.2
71.01374	2.7
71.62653	0.3
72.99299	1.2
73.02929	0.6
74.33082	0.2
75.00877	0.7
78.95896	0.3
79.95732	3.5
80.96505	1.7
83.01390	0.3
85.02937	2.3
87.00850	0.4
89.02447	0.6
92.03385	0.2
95.95210	0.8
96.96002	61.8
97.02945	0.7
98.95583	0.8
99.00887	0.7
101.02467	1.1
111.00848	0.3
111.08080	0.2
113.02435	1.6
115.04022	0.3
119.03469	0.3
122.97594	0.5
125.02462	0.4
126.47580	0.2
129.01926	0.8
138.97060	8.2
150.97032	0.4
161.04582	0.2
168.98076	0.5
180.98093	0.4
191.05646	0.5
198.99168	4.0
235.17059	0.4
241.00194	2.6
256.99738	0.5
259.01324	1.7
286.12811	0.2
395.20767	0.8
413.22067	0.4
483.29868	0.7
501.30661	0.3
587.31085	100.0
588.31421	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	586.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03429	1.4
59.01365	5.0
61.98823	4.2
69.03442	1.7
71.01375	19.8
71.05015	13.8
71.62921	1.5
72.99294	2.8
73.02926	1.1
75.12214	0.7
77.10814	0.8
79.01873	1.5
79.95729	3.1
82.95415	5.8
83.01347	1.4
85.02942	7.7
87.00867	3.6
88.04034	100.0
89.02442	1.1
89.04401	1.3
96.96008	9.1
97.02934	4.2
99.00898	2.1
99.04507	6.3
101.02395	1.2
111.00883	2.1
113.02453	1.6
116.07158	1.8
117.03465	2.0
118.81557	0.8
129.01920	5.6
129.05560	1.1
130.08711	1.0
131.03445	0.9
132.02158	2.0
132.68576	0.9
133.02933	1.8
134.03737	38.5
135.04282	1.4
141.01936	1.9
146.08218	38.6
147.08484	1.2
149.06067	8.1
150.03090	1.1
151.03886	1.1
155.03534	2.1
156.00226	0.9
159.03001	2.2
160.01643	11.7
161.02449	1.0
165.05534	1.6
173.04489	2.1
175.03970	14.9
176.04588	1.3
178.02667	2.5
185.97847	0.8
191.05585	12.2
191.07114	1.5
193.05031	42.7
194.05446	1.9
195.06468	1.1
209.06621	9.7
218.10300	78.2
219.10588	2.3
233.08047	2.1
261.07690	2.1
275.05713	1.4
291.08685	1.3
335.07578	3.2
367.10263	44.5
368.10486	2.7
385.11307	17.7
386.11676	1.3
410.16611	2.6
586.21313	50.6
587.21399	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	586.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13535	2.9
59.80453	2.9
60.47043	3.2
61.98830	5.7
71.62543	2.8
71.62933	3.8
79.95747	4.1
96.96003	100.0
101.33891	3.3
106.57803	3.8
111.73550	3.2
225.22238	4.6
250.95990	3.4
276.80389	3.8
301.12326	3.5
450.69791	3.6
527.77362	3.8
550.48462	21.7
551.48950	5.0
586.45496	3.6
587.28778	66.0
614.11523	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.9
57.03429	1.4
59.01365	5.0
61.98823	4.2
69.03442	1.7
71.01375	19.8
71.05015	13.8
71.62921	1.5
72.99294	2.8
73.02926	1.1
75.12214	0.7
77.10814	0.8
79.01873	1.5
79.95729	3.1
82.95415	5.8
83.01347	1.4
85.02942	7.7
87.00867	3.6
88.04034	100.0
89.02442	1.1
89.04401	1.3
96.96008	9.1
97.02934	4.2
99.00898	2.1
99.04507	6.3
101.02395	1.2
111.00883	2.1
113.02453	1.6
116.07158	1.8
117.03465	2.0
118.81557	0.8
129.01920	5.6
129.05560	1.1
130.08711	1.0
131.03445	0.9
132.02158	2.0
132.68576	0.9
133.02933	1.8
134.03737	38.5
135.04282	1.4
141.01936	1.9
146.08218	38.6
147.08484	1.2
149.06067	8.1
150.03090	1.1
151.03886	1.1
155.03534	2.1
156.00226	0.9
159.03001	2.2
160.01643	11.7
161.02449	1.0
165.05534	1.6
173.04489	2.1
175.03970	14.9
176.04588	1.3
178.02667	2.5
185.97847	0.8
191.05585	12.2
191.07114	1.5
193.05031	42.7
194.05446	1.9
195.06468	1.1
209.06621	9.7
218.10300	78.2
219.10588	2.3
233.08047	2.1
261.07690	2.1
275.05713	1.4
291.08685	1.3
335.07578	3.2
367.10263	44.5
368.10486	2.7
385.11307	17.7
386.11676	1.3
410.16611	2.6
586.21313	50.6
587.21399	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	585.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53319	4.5
59.01370	61.4
60.82623	3.4
61.98820	10.8
71.01378	25.7
71.62012	4.6
72.99281	6.5
73.02951	10.4
75.00874	8.1
75.48098	3.8
78.95901	4.1
79.95722	4.0
85.02953	13.9
85.21844	3.6
87.04498	5.4
89.02430	6.4
96.96002	62.0
96.96940	9.5
99.00870	5.9
101.02446	13.3
113.02439	11.0
132.83405	3.8
160.01663	4.6
161.04480	4.7
175.03928	8.1
281.34686	3.8
339.69031	4.5
353.28131	3.7
354.57077	3.9
358.75363	3.6
515.44580	5.0
524.90045	4.1
541.30164	100.0
542.30359	14.5
585.28058	5.5
585.38019	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	585.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.4
68.79134	0.2
71.01375	1.4
72.99301	0.5
73.02942	0.4
75.00880	0.4
76.02704	0.2
78.95903	0.6
79.95734	4.0
80.96513	2.3
85.02944	0.9
87.00874	0.3
89.02447	0.5
95.95250	1.0
96.96006	61.8
97.03011	0.2
98.19878	0.3
98.95601	0.5
101.02447	1.1
111.00864	0.3
113.02441	0.7
122.97548	0.4
138.97066	7.8
150.97061	0.5
164.98619	0.2
168.98128	0.4
171.08556	0.2
175.04037	0.3
177.04024	0.2
180.98174	0.3
191.05630	0.2
198.99170	4.2
238.98682	0.3
241.00201	4.3
256.99631	1.1
259.01242	1.7
427.16437	0.2
505.29694	0.4
555.28375	6.1
556.28644	0.6
585.29431	100.0
586.29773	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	585.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16289	1.6
55.01864	1.8
57.03445	12.9
59.01368	8.9
61.98822	5.4
67.01877	3.2
68.99807	6.3
69.03429	7.6
69.26305	16.1
71.01370	23.3
72.99309	9.9
75.00920	1.3
79.95700	2.6
83.01365	8.2
85.02947	43.5
87.00872	8.7
87.04511	5.6
89.02405	2.2
90.19206	1.7
93.03456	3.6
95.01369	3.3
96.95997	10.8
97.02940	18.6
97.20874	1.5
98.20683	2.3
99.00864	13.3
101.02435	1.7
106.68118	1.3
109.02966	1.5
111.00848	5.0
113.02458	6.8
115.03988	11.2
121.02930	16.1
122.03719	8.1
123.00871	11.1
123.04502	2.3
123.51794	1.5
125.99671	1.6
129.01929	41.8
131.10706	1.5
137.02428	4.2
138.03183	5.8
139.03926	1.4
141.01929	11.5
149.02428	17.3
150.03217	72.3
151.03902	6.3
153.01955	1.7
153.05574	11.8
159.02959	5.8
164.04727	4.7
165.05547	80.7
166.05843	3.0
166.99803	10.0
174.06262	1.5
174.82774	1.5
180.04294	3.8
181.01396	10.3
181.04910	7.4
182.02206	43.8
183.02847	5.9
191.05588	49.1
191.07344	2.5
192.06009	2.0
195.06599	36.4
197.04524	81.5
198.04861	2.2
241.00171	1.8
256.99655	3.0
286.08447	1.8
301.10806	2.3
327.39975	1.4
345.09558	5.6
352.33392	1.6
357.08353	2.1
375.02377	1.5
375.07031	1.6
388.10056	4.6
389.10858	7.3
393.11905	33.2
411.09274	1.7
453.06088	1.5
541.19183	2.3
585.18182	100.0
586.18274	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	585.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03447	7.2
59.01378	6.8
61.98829	17.9
67.01876	1.5
68.99825	1.7
69.03456	8.5
69.51298	0.7
71.01369	11.9
71.62902	1.2
72.99298	6.3
73.02953	1.1
78.95896	0.7
79.95739	2.8
80.96488	0.8
83.01381	4.2
85.02946	19.7
87.00877	7.4
87.04524	3.3
89.02438	1.3
92.14300	0.7
95.01372	1.3
95.95232	1.7
96.96007	30.8
97.02947	13.3
99.00872	5.3
101.02448	2.3
108.02175	1.4
109.48065	0.7
110.97615	1.0
111.00878	3.1
111.08143	2.2
113.02464	3.5
115.03992	4.0
121.02985	0.7
123.04569	0.8
123.24790	0.7
125.02404	1.0
129.01942	10.1
130.08783	0.8
134.03749	4.6
135.04521	1.9
137.02428	1.6
139.11284	30.8
140.11591	1.0
141.01947	4.9
145.01430	1.0
148.03928	0.8
149.04749	0.8
149.06015	0.8
150.03236	1.9
152.01175	1.7
154.99860	9.2
156.78096	0.6
159.02977	1.2
160.01671	0.8
161.02446	2.1
165.01906	1.9
165.05524	1.6
167.03561	1.7
175.04002	4.0
177.05580	0.7
178.02751	0.8
179.03381	0.9
180.04272	1.3
183.10249	15.7
191.05615	5.5
193.05011	4.4
195.06644	1.9
201.11310	40.0
205.12407	0.9
209.06682	3.9
225.07617	1.0
225.11281	1.3
241.00279	2.4
337.09302	0.8
341.11966	1.6
365.22144	0.8
393.17667	15.2
394.18039	1.0
417.04874	6.4
437.20703	0.7
509.22064	1.3
528.08667	0.7
567.23151	10.6
585.10480	12.8
585.23987	100.0
586.09521	1.7
586.24176	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	585.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03440	10.0
59.01374	11.3
61.98816	7.1
67.01881	2.9
68.99796	5.1
69.03451	10.2
71.01380	25.1
71.63250	2.2
72.99307	9.4
73.02915	3.2
74.10516	1.3
79.95712	5.1
80.96511	2.3
83.01381	8.6
85.02943	39.0
87.00886	11.5
87.04488	4.6
87.92934	1.6
89.02435	3.0
90.59418	1.2
93.03438	4.2
95.01360	2.9
96.95435	2.1
96.96008	29.4
97.02938	17.8
98.95572	1.4
99.00870	13.2
101.02425	3.6
111.00864	8.6
113.02412	5.7
113.19682	1.3
115.04015	9.0
121.02918	16.9
122.03765	7.2
123.00893	12.6
123.04494	2.2
124.01614	1.7
125.02418	1.4
129.01929	42.1
137.02414	5.6
138.03214	7.1
139.00359	1.9
139.03908	1.6
141.01929	10.8
149.02431	14.6
150.03217	61.8
151.04039	8.1
153.05554	11.6
155.03406	1.4
159.02943	5.5
164.04761	2.5
165.05557	75.5
166.05920	2.9
166.99812	10.4
173.04425	1.8
175.04028	1.7
180.04201	6.0
181.01431	8.6
181.05066	9.3
182.02194	38.6
183.02979	4.3
191.03963	2.9
191.05614	50.2
195.06627	33.9
197.04530	72.2
198.04730	1.9
209.06586	4.7
241.00217	4.5
256.99597	7.5
262.10678	1.6
286.08493	1.5
301.10687	2.8
345.09738	5.2
356.07117	1.6
368.09790	2.0
375.11960	1.4
388.09930	3.3
389.10617	3.3
393.11880	26.9
394.12103	2.9
433.24496	1.5
456.25665	1.5
495.18848	2.5
513.19781	2.6
521.12659	1.8
531.72791	1.5
535.14789	1.9
541.19427	4.9
585.18146	100.0
585.26135	3.5
586.18109	6.8
595.39081	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31875	0.1
56.88766	0.2
56.97031	0.2
59.01359	0.4
69.80135	0.6
69.80541	0.3
71.01382	0.2
77.57316	0.1
78.95919	0.3
79.95734	3.0
80.13464	0.1
85.02927	0.2
96.96005	100.0
97.95934	0.2
98.19845	0.2
107.91490	0.2
122.15382	0.1
130.08699	0.9
138.97081	0.3
171.10277	0.4
199.92940	0.2
241.00261	0.3
242.00769	0.2
243.87483	0.1
268.55304	0.2
269.05142	0.1
453.85498	0.2
486.27283	1.0
584.28314	1.5
585.29395	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03438	0.5
59.01371	2.4
61.98822	0.7
65.04906	0.4
69.03447	0.6
71.01377	4.9
72.99298	0.9
73.02940	1.1
79.95727	9.7
80.96507	7.0
83.01382	1.0
85.02943	3.5
87.00875	2.0
89.02412	0.9
95.95210	0.6
96.96004	82.1
99.00857	0.8
101.02431	5.6
109.02943	1.3
113.02413	3.8
117.57024	0.4
120.99671	1.0
122.97585	0.5
129.01933	0.7
133.02870	0.4
133.34824	0.4
134.03735	2.0
135.04509	5.2
137.96303	0.6
138.97083	5.9
147.04526	1.4
148.05302	10.1
149.06027	1.5
150.03270	0.6
150.97060	1.6
153.01958	4.1
154.02238	1.0
155.10747	0.9
156.11064	0.6
162.06808	0.7
166.96571	2.0
176.03503	1.6
177.04332	1.0
178.05089	9.7
180.98059	1.0
190.05121	3.2
192.06628	0.7
193.05064	1.1
199.89343	0.4
209.06673	0.5
241.00215	100.0
242.00487	2.5
256.99667	0.7
281.45566	0.4
285.07748	0.6
326.10327	0.5
327.11102	4.4
340.11771	0.6
342.13406	25.6
343.13675	2.0
391.16006	0.5
408.14246	0.5
436.56662	0.5
494.17984	0.7
540.21460	0.5
584.14209	32.2
584.22015	3.0
585.14001	3.4
585.22107	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98825	100.0
71.62975	0.5
78.95911	0.8
82.96104	0.4
87.00899	0.3
88.00394	0.7
88.98812	1.1
96.14183	0.2
96.95998	0.6
100.75040	0.3
100.82905	0.3
152.99565	0.6
172.77823	0.2
244.08470	0.3
281.24841	3.9
282.25214	3.5
283.25497	2.4
284.25809	1.1
506.32468	0.9
507.33148	0.4
508.33206	0.9
509.33209	2.2
583.27881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01377	2.5
61.91349	0.5
61.98820	2.4
69.03465	0.9
69.69942	2.9
71.01375	4.9
72.21771	0.5
72.99306	1.1
73.02951	0.6
79.95265	0.7
79.95728	9.8
80.96511	6.9
82.49060	0.4
83.01379	2.0
85.02953	5.3
87.00854	2.8
88.34167	0.5
89.02455	0.6
92.64066	0.4
93.97800	0.5
95.01369	0.5
96.96004	72.7
97.02955	1.0
99.00877	1.0
101.02441	5.2
105.25560	0.4
109.02934	0.6
113.02448	3.1
121.02998	0.8
122.03738	0.8
123.04491	0.8
124.00716	2.0
129.01945	2.6
134.03722	3.7
135.04529	10.0
136.01636	0.6
136.99072	0.4
137.02408	0.9
137.96234	0.7
138.97064	4.9
141.01872	0.6
147.04535	3.4
148.05293	28.1
149.02434	0.8
149.06068	2.8
150.03207	3.4
150.97044	1.7
151.03966	0.7
153.01871	0.5
153.05652	0.7
159.02991	0.7
161.02357	0.9
162.06831	1.8
162.67809	0.4
163.06230	0.6
164.07039	0.6
165.05576	3.2
166.05865	0.5
166.96623	2.1
175.04025	0.5
176.03513	2.9
177.04311	2.8
178.05074	22.0
179.05452	0.9
180.98071	0.6
181.04982	0.8
182.02188	1.2
190.05074	8.5
191.05568	1.8
192.06581	1.4
193.05107	0.6
195.06580	1.5
197.04514	3.7
202.04773	0.4
204.06720	0.9
204.15288	0.5
209.06717	0.8
241.00218	100.0
242.00620	3.1
283.09705	1.0
323.00369	0.4
326.10318	0.6
327.07440	0.8
327.11072	10.9
328.11542	0.7
342.13416	69.1
343.13782	4.2
523.22760	0.4
584.14032	35.9
584.21747	2.5
585.14392	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.6
61.98827	2.3
66.70458	0.4
69.03451	0.4
69.47255	0.9
69.47674	1.7
71.01363	0.9
72.53985	0.4
72.99316	0.4
75.00877	0.3
77.04002	0.3
79.95730	2.7
80.96522	0.7
81.95333	0.8
85.02969	0.5
89.02458	0.6
93.03458	4.5
95.01394	0.8
96.96004	8.7
98.95615	1.3
108.02172	0.4
109.02914	0.5
113.02447	0.5
121.02946	5.5
122.03728	14.7
124.01636	0.5
129.01941	0.7
132.02148	0.8
133.02962	1.9
134.03725	1.2
135.04526	1.5
136.01660	1.4
137.02440	0.4
149.02429	31.1
150.03210	93.9
151.03532	2.8
153.01854	0.5
160.01619	1.2
161.02414	0.6
163.04027	0.5
164.04776	6.4
165.05550	100.0
166.05890	3.0
171.10310	0.4
175.04008	1.2
176.04720	0.5
177.04117	0.5
177.05527	1.8
179.03514	0.7
179.07109	0.9
180.04256	6.2
180.05730	0.5
190.06288	0.9
191.06985	0.4
192.07884	0.4
193.05002	1.0
194.05762	0.4
195.06601	61.3
196.06941	1.8
203.07143	0.4
215.91090	0.4
222.05208	0.4
224.06860	1.0
226.67610	0.4
238.06293	0.5
239.07019	0.4
243.06804	0.4
256.07349	0.7
256.99799	0.4
265.04965	0.5
266.05832	0.6
267.06699	0.6
267.10193	0.5
268.07379	1.7
269.07986	0.5
277.05252	0.5
279.10220	0.4
280.07419	0.9
283.06610	0.4
283.09763	1.9
293.08090	0.5
295.06021	0.6
295.09274	0.5
296.06879	1.4
296.09927	0.4
297.07755	0.8
297.11325	1.3
299.09219	0.8
307.09714	1.5
308.06876	1.0
308.10516	1.5
309.07571	1.0
309.11005	0.7
310.08304	0.7
311.09030	1.2
311.12552	0.5
312.06390	2.3
312.09653	0.6
313.10736	0.7
321.07849	0.5
322.08340	1.1
323.09204	3.0
323.12732	0.6
324.06454	0.6
324.09882	2.3
325.10797	2.9
326.11600	4.6
327.08673	5.8
327.12180	0.9
328.09219	0.7
337.10663	0.6
338.11499	0.8
339.08710	8.6
339.12323	1.8
340.09229	0.6
341.13858	1.5
342.11020	6.3
343.11597	0.6
345.90732	0.4
353.10196	0.9
354.10928	3.1
355.11731	1.0
357.13391	21.7
358.13815	2.0
367.10254	1.2
369.13385	25.0
370.13422	1.8
385.11319	0.6
451.52747	0.4
457.12784	0.9
461.15857	1.5
472.15161	0.4
473.15570	0.5
475.13855	0.5
487.17365	1.0
490.16272	0.8
505.18719	6.8
506.18890	0.7
517.18457	2.4
535.19672	41.9
536.20172	4.3
539.19916	1.5
547.15289	0.6
553.20575	1.0
565.20001	0.6
583.20172	3.1
583.28625	8.7
584.28619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
66.91356	0.8
69.75612	4.0
70.46293	0.7
71.01390	0.9
79.95718	0.9
83.78448	0.7
93.03436	4.3
95.05009	1.0
96.96011	14.6
98.95592	1.3
103.50507	0.7
108.02165	0.9
110.97578	2.1
121.02952	12.9
122.03741	16.9
123.04527	2.4
124.01675	1.4
132.02220	0.9
133.02908	2.9
134.03716	1.7
135.04512	6.1
136.01659	13.1
137.02428	2.4
138.97064	3.6
147.04500	1.3
149.02438	30.7
149.05994	2.0
150.03217	97.1
151.00374	2.6
151.04015	14.0
152.01108	1.6
160.05418	1.0
161.06081	1.5
163.03973	1.8
164.04802	6.1
165.05554	100.0
166.02737	8.1
166.05873	3.4
167.03403	3.8
172.05310	1.7
175.04039	5.3
175.07564	1.1
177.05507	0.9
180.04247	6.4
181.05048	12.0
189.05551	3.3
190.06369	6.0
195.06607	58.5
196.06917	2.3
198.99158	1.8
205.08563	1.1
221.08238	1.1
241.00223	1.8
259.01282	3.8
276.84967	0.7
292.69809	0.8
297.07632	0.8
315.08875	1.4
329.10245	3.4
342.11035	1.4
356.12656	1.9
357.09662	1.7
357.13434	11.0
369.13470	1.5
372.11938	2.2
373.12814	2.2
386.13864	1.0
387.14462	32.8
388.14700	3.1
505.18671	5.3
517.19043	1.4
520.17767	1.0
535.19653	50.7
536.19379	5.7
553.20374	0.8
583.07495	2.6
583.28790	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	583.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22551	0.5
59.01375	3.0
61.98835	2.2
71.00717	0.6
71.01391	0.9
72.99311	0.7
75.00886	0.6
79.95739	1.7
80.96495	1.0
85.02960	0.6
89.02441	0.9
93.03461	3.5
96.96007	23.4
99.00858	0.6
101.02430	1.2
109.02905	0.5
110.97581	6.5
112.28673	0.5
113.02470	0.6
119.03431	0.5
121.02967	3.9
122.03746	12.9
123.10308	0.5
124.01665	0.9
133.02956	1.6
135.04532	1.0
136.01637	7.4
137.02470	1.3
138.97099	4.6
149.02446	16.8
150.03220	92.6
151.00375	1.2
151.04028	5.9
164.04823	2.8
165.05559	100.0
166.02721	4.5
166.05931	2.5
167.03407	0.7
168.98091	0.5
175.04028	1.0
180.04288	6.5
181.05061	5.3
189.05469	0.7
190.06332	1.0
190.14438	0.5
195.06612	76.2
196.06947	1.9
198.99170	4.1
205.05057	0.6
214.44470	0.6
221.08234	0.7
241.00134	0.7
259.01270	10.7
281.04501	0.5
329.10516	0.7
342.11111	1.2
357.09579	1.0
357.13382	8.1
357.17398	0.8
372.12253	1.2
373.12698	0.9
387.14478	13.0
388.15024	0.9
453.65533	0.5
505.19037	0.8
535.19977	2.5
553.20776	0.7
583.07880	6.2
583.27704	10.9
584.07928	0.8
584.28290	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	21.6
71.62845	0.7
79.93201	0.4
89.07793	0.4
106.99285	0.4
111.00437	0.4
147.04015	0.5
161.86452	0.4
165.84219	0.5
191.33351	0.5
277.21729	0.7
279.23254	100.0
280.23566	5.5
335.87555	0.6
354.39334	0.4
378.77911	0.4
417.57648	0.5
581.45428	55.9
582.45795	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	582.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63816	0.6
53.73266	0.6
55.34357	0.6
59.01374	20.8
61.98832	1.1
63.96257	0.9
70.12079	1.9
70.12494	1.0
71.01376	2.1
78.95898	18.5
78.98592	2.2
79.95726	3.4
80.96512	19.6
82.96092	0.8
85.02964	1.1
87.00843	0.7
94.98087	5.0
96.96018	2.0
101.02435	0.6
103.78319	0.6
105.28727	0.5
106.98094	0.8
122.97570	1.6
125.02439	1.1
127.01457	0.5
127.60176	0.6
134.97565	1.6
148.99133	0.6
152.98523	1.4
152.99582	2.5
154.24643	0.6
164.98579	3.3
165.98810	0.6
168.04300	2.4
179.53967	0.6
180.26250	0.6
224.06892	9.1
224.98885	0.6
225.00705	3.3
226.01039	1.1
242.08003	1.8
282.25183	0.9
283.26401	100.0
284.26706	6.3
299.04718	0.7
334.53558	0.7
415.65384	0.7
420.63248	0.7
508.34015	73.3
509.34329	6.6
582.30280	33.3
583.29840	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	583.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63388	0.2
59.01089	0.4
59.01373	5.2
61.98816	0.7
66.28478	0.2
71.01373	1.0
72.99302	0.5
73.02928	0.4
75.00878	0.6
75.92644	0.2
78.95902	1.2
79.95731	2.8
85.02960	0.3
89.02441	0.5
90.70729	0.2
96.96001	100.0
98.95584	0.4
99.00901	0.3
101.02438	0.7
113.02438	0.3
114.93438	0.5
115.78009	0.2
116.92916	0.3
135.04430	0.2
148.07118	0.2
177.51413	0.2
237.99548	0.2
241.00269	0.5
388.08838	0.2
539.28595	1.4
583.27747	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	581.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68692	0.1
59.01374	1.5
59.38520	0.1
61.01812	0.2
61.98825	100.0
62.97553	0.1
62.98543	0.2
68.26277	0.1
69.25112	1.1
69.66933	0.1
78.95904	0.7
80.96529	0.1
82.96104	0.6
90.46243	0.1
92.10135	0.1
152.99634	0.4
166.98206	0.1
178.64160	0.1
192.30428	0.1
227.16966	0.1
242.08087	0.2
279.23242	3.3
280.23611	3.8
281.23923	2.3
282.24213	1.5
456.82199	0.1
504.30869	1.1
505.31705	0.5
506.31491	0.8
507.31732	2.3
581.26941	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82197	0.5
53.82930	0.6
57.48653	0.5
59.01374	7.5
61.98818	1.3
71.01370	7.8
71.62817	1.0
73.02949	1.6
78.95902	5.1
78.98586	3.8
79.95733	5.2
80.96510	35.6
80.98157	2.1
81.03454	1.2
81.95305	4.7
81.96463	1.5
82.96096	28.1
82.96863	4.1
85.02962	2.4
87.00867	2.3
88.33881	0.6
94.98074	7.2
96.95990	4.0
96.97653	6.7
97.02941	1.0
98.95592	1.3
99.00854	0.6
101.02431	2.4
106.98071	1.8
108.89339	0.5
108.97672	1.0
115.92054	0.8
120.03725	0.5
122.97565	2.1
124.97151	1.6
125.02447	3.1
127.04025	0.8
134.97600	2.2
136.97156	1.7
148.99126	2.4
149.99451	0.9
150.98695	2.2
152.98537	3.0
152.99606	1.8
154.98157	4.3
164.98610	3.7
165.98898	1.4
166.98109	3.6
168.04309	0.8
179.89212	0.8
182.99611	0.6
196.89522	0.8
197.06195	0.7
206.99635	1.0
208.99274	1.6
225.00726	4.9
226.01131	2.8
227.00214	7.3
227.93031	0.6
242.08041	0.8
279.23288	3.8
281.24838	16.4
282.25171	23.5
299.04199	0.7
301.04337	1.3
391.26395	0.8
393.27985	1.4
395.29453	1.0
421.31210	1.6
499.34238	67.9
500.34555	6.5
506.32449	2.1
507.27451	0.8
507.32983	12.2
581.27557	100.0
581.35425	19.7
582.27448	7.8
582.35370	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	581.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31343	0.1
59.01371	1.6
60.87933	0.1
61.01799	0.2
61.98824	100.0
62.98531	0.2
70.19616	0.3
70.19999	0.3
75.00873	0.2
78.95901	1.6
80.96400	0.2
82.96102	0.6
85.82925	0.2
96.95966	0.2
96.97664	0.2
98.19878	0.2
106.10512	0.2
152.99570	0.4
156.93021	0.1
158.33778	0.2
166.38774	0.1
171.55672	0.2
224.07031	0.2
225.07318	0.2
226.07495	0.2
279.23248	2.7
280.23618	2.7
281.23920	1.7
282.24185	1.0
293.27893	0.2
377.26999	0.2
409.92514	0.2
416.80991	0.2
504.30972	1.3
505.31155	0.8
506.31366	1.2
507.31781	3.5
581.26489	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65866	0.4
55.01874	0.5
57.03436	0.8
59.01377	5.3
60.01729	0.4
61.98831	2.2
62.12329	0.4
65.70358	0.4
65.91997	0.4
70.76775	1.1
71.01371	5.0
72.43755	0.4
72.99307	2.2
73.02940	0.9
75.00871	3.7
78.95900	1.0
79.95731	27.1
80.96510	6.5
83.01396	0.9
85.02945	2.9
87.00863	2.2
89.02446	1.7
93.27585	0.4
95.01405	1.0
95.95217	4.3
96.96002	64.8
97.02911	0.5
98.05336	0.4
99.00874	1.1
101.02445	4.3
111.00852	2.4
113.02444	2.3
117.01942	1.1
119.03505	0.7
120.95998	0.7
122.97586	0.5
124.42142	0.3
125.02370	0.5
127.20042	0.4
129.01936	1.7
137.96294	0.5
138.97058	5.4
143.03520	0.6
149.75192	0.4
150.97064	1.4
159.02969	0.7
165.05611	0.5
165.15776	0.4
166.96532	1.0
177.04047	0.7
180.98051	0.5
193.05045	0.9
238.98631	3.6
241.00215	18.4
242.00711	0.4
256.99698	11.2
258.00073	0.5
259.01218	1.6
327.07953	0.4
425.14890	3.6
469.17502	0.6
477.72308	0.6
493.21112	1.7
495.18973	1.1
499.71414	0.6
511.22101	1.0
523.93237	0.5
536.53638	0.4
537.20160	1.1
581.26306	100.0
582.18701	0.6
582.26807	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	581.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.1
59.01376	29.0
61.34996	1.3
67.16239	1.1
68.20020	1.2
71.01376	8.9
72.99303	2.1
73.02946	1.5
79.95735	49.1
80.96519	27.3
83.01387	3.1
85.02946	2.5
87.00867	4.8
90.32949	1.3
95.95230	3.7
96.96004	100.0
97.02958	2.3
99.00852	3.3
99.04497	2.0
101.02403	1.4
102.70800	1.1
104.28119	1.1
111.00881	14.2
113.02434	1.8
115.00351	1.7
118.06392	1.1
119.73321	1.2
120.96030	5.0
129.01921	6.7
133.56142	1.4
138.97072	12.0
141.01930	1.9
148.95499	2.1
148.99205	1.4
150.97034	2.3
154.96561	2.5
177.03911	1.4
192.98100	2.2
201.03963	2.7
209.26750	1.2
220.97595	1.5
232.72525	1.3
238.98679	7.1
241.00180	6.8
253.00333	1.6
256.99695	17.8
280.99710	13.8
283.01233	7.9
299.00766	34.4
307.43643	1.3
342.99747	3.5
495.18982	8.3
537.20050	87.3
538.20496	8.5
581.19025	76.6
582.19525	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	581.2646
Annotation	2'-Norberbamunine
Peak:m/z	Relative Intensity
55.01866	0.9
57.03430	2.3
58.00581	0.9
59.01375	18.4
60.01706	0.8
61.01776	0.5
61.98803	1.5
62.62961	0.5
68.99826	0.6
69.03442	1.1
69.36714	1.2
69.37119	2.8
71.01378	17.4
72.01717	1.5
72.99309	10.4
73.01821	0.9
73.02952	1.9
73.99627	0.8
75.00869	15.8
76.01210	1.6
77.01285	1.2
79.95730	18.4
80.96510	9.5
83.01389	2.6
85.02949	9.1
86.03266	1.1
87.00869	6.4
88.24821	0.4
89.02441	10.9
90.02769	2.1
91.02848	0.9
94.98073	1.6
95.01378	1.8
95.95223	1.9
96.96004	59.5
97.02943	1.5
98.95558	0.9
99.00874	4.1
101.02427	8.5
101.89510	0.5
102.02829	0.8
103.00391	0.6
109.02908	0.7
111.00874	10.5
113.02439	7.5
114.02782	1.1
115.00340	1.8
116.98287	2.0
119.03506	5.6
120.03819	0.9
120.96009	2.0
121.87406	0.5
125.02439	4.8
126.02801	1.6
127.00344	1.2
129.01930	7.3
131.03471	1.3
133.01355	0.6
134.03638	0.6
136.95557	0.6
138.97043	3.6
143.03464	1.4
150.97028	0.6
154.96538	0.8
159.03008	2.4
161.04536	1.3
166.96515	1.0
168.37926	0.6
174.98729	0.5
177.03978	1.2
178.96536	0.6
179.05611	1.8
180.05777	0.6
182.96100	0.5
192.98120	0.6
193.05202	1.1
210.99165	2.4
221.06662	1.7
222.06964	0.5
223.07124	0.6
238.96301	1.0
238.98656	16.9
241.00259	8.0
256.99704	40.9
258.00003	0.6
263.07510	0.9
281.79465	0.6
298.21677	0.5
323.09808	2.1
324.10092	1.5
325.10406	0.7
337.68576	1.3
338.18628	0.8
338.68802	1.3
367.69202	0.8
386.51245	0.5
390.47852	0.6
393.11978	0.6
396.19003	0.7
396.69766	0.5
397.19366	0.6
418.18817	1.1
418.68427	0.8
476.59753	0.6
499.34247	0.9
500.34314	1.2
501.34982	0.9
521.32904	1.9
537.20074	1.1
581.26300	100.0
582.26666	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	581.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.2
57.62447	0.9
59.01365	3.6
67.01871	2.7
68.99812	3.6
69.03459	5.4
71.01372	14.5
72.99312	5.2
83.01381	6.0
85.02945	29.1
87.00864	5.0
87.04486	2.3
88.99920	1.0
89.02441	1.4
96.96017	1.7
97.02949	10.6
99.00882	8.7
101.02447	1.6
111.00849	6.9
113.02441	3.7
115.03949	5.0
117.03425	1.2
119.04977	1.8
121.02922	2.9
122.03714	4.7
123.04500	4.1
128.90173	2.2
129.01932	23.9
133.02946	5.3
134.03731	57.7
135.04466	2.9
136.01636	2.3
137.02434	4.0
141.01952	7.7
147.04497	1.2
149.02422	9.9
149.06071	9.6
150.03214	44.1
151.04019	11.5
152.04211	1.3
153.05502	1.4
159.02965	4.6
160.01610	2.8
164.04805	2.5
165.05551	40.1
166.05864	2.3
175.03976	3.4
177.01894	2.2
178.02698	17.9
180.04262	3.7
181.05035	6.9
191.05586	28.1
191.07166	1.2
193.05035	55.9
194.05400	2.4
195.06613	10.9
209.06671	2.6
229.69322	1.1
246.53293	1.0
261.07690	1.4
282.08813	1.6
341.10410	1.5
371.11276	3.2
384.10577	9.0
385.11368	3.6
389.12360	23.8
390.12656	2.0
439.95096	1.1
531.15088	3.8
563.17914	8.1
564.18048	1.6
581.18640	100.0
582.19250	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	581.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06052	0.9
57.03443	2.2
59.01376	30.1
61.95907	0.7
61.98823	2.7
69.03446	1.8
71.01372	5.9
72.08821	0.7
72.99293	2.5
73.02948	0.9
75.00872	0.8
79.95729	28.3
79.96185	1.6
80.96512	21.1
81.03446	1.1
83.01369	2.7
85.02956	3.7
87.00871	4.4
89.02435	0.8
95.01399	0.8
95.95228	2.0
96.96003	100.0
97.02911	1.5
98.19815	1.5
99.00863	2.4
99.04502	2.8
101.02422	2.6
103.00361	1.2
111.00879	13.2
113.02438	2.0
115.00358	1.6
120.96008	5.6
129.01930	6.2
129.93645	0.7
136.95488	1.8
138.97086	9.2
139.00356	0.9
141.01933	2.6
142.41220	0.7
144.19153	0.6
148.95464	0.9
148.99109	1.4
149.12923	0.7
150.97090	1.0
152.00963	0.7
153.01888	1.1
154.96579	2.6
159.03011	1.9
166.96590	1.3
177.04045	1.4
182.74551	0.7
192.98125	2.4
201.04033	3.3
209.01151	0.8
219.04980	0.8
220.97510	1.0
222.99002	0.9
238.98639	9.2
241.00206	5.6
253.00073	1.7
256.99695	16.9
280.99646	11.7
283.01260	7.7
299.00745	33.6
342.99576	1.2
354.36395	0.8
495.18921	9.1
521.32452	1.2
537.20062	75.0
538.20245	8.4
581.18915	73.3
581.26233	4.9
582.19324	7.1
582.27441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74031	1.1
57.03446	7.6
59.01361	4.5
61.98823	2.8
63.66304	1.1
67.01874	3.5
68.99815	2.5
69.03439	3.9
69.58813	8.0
71.01388	14.2
72.99298	5.9
73.02924	1.5
74.01926	1.3
77.94564	1.0
80.07886	1.1
83.01376	3.6
85.02945	30.4
87.00883	5.9
87.04485	1.8
89.02416	3.1
93.03442	1.8
96.95982	3.2
97.02951	8.6
98.19810	2.0
99.00900	7.1
101.02398	1.5
111.00858	4.8
113.02440	2.7
115.03976	4.9
117.03443	2.7
121.02954	8.7
122.03749	7.1
123.04511	1.7
129.01028	1.8
129.01936	18.7
132.02155	3.6
133.02907	1.3
134.03734	59.7
135.04497	3.4
137.02448	5.2
139.00342	4.9
139.03981	1.9
141.01898	3.5
147.04480	1.5
149.02444	16.1
149.06070	12.4
150.03223	50.8
151.00311	1.2
151.03964	7.3
159.02963	2.9
160.00438	1.5
160.01651	14.9
164.04733	3.6
165.05553	51.3
166.05896	2.5
175.03983	17.0
177.01878	3.9
178.02704	20.3
179.03297	1.1
180.04236	3.7
181.04959	4.9
191.05600	27.6
192.04274	2.5
193.05048	100.0
194.05440	1.9
195.06604	28.5
196.06981	1.8
198.47438	1.2
207.06593	1.1
209.06615	2.7
221.06140	1.4
239.07021	1.6
250.06206	2.3
254.09247	1.3
255.02917	1.5
282.08838	5.7
283.02322	2.5
285.04068	1.4
332.09000	2.2
341.10257	30.1
342.10559	1.4
347.11279	7.1
367.10187	1.5
377.12283	12.9
389.12427	12.4
391.59058	2.1
408.01111	1.2
411.14725	1.1
531.15167	1.7
562.14960	1.5
581.18604	91.1
582.19031	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	581.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.2
59.01373	3.5
61.98818	0.8
64.98586	0.2
65.03954	0.3
67.79243	0.2
69.03436	0.3
71.01373	2.5
71.07964	0.3
71.08282	0.2
73.02930	0.6
80.75091	0.2
83.01369	0.4
85.02950	0.9
87.00877	0.2
89.02459	1.7
93.03450	49.5
94.03786	0.7
95.01396	0.4
96.96008	1.5
97.02953	0.5
99.00862	0.4
101.02434	1.3
103.71650	0.3
111.00938	0.2
113.02435	0.9
119.03492	0.4
125.02428	0.3
129.01927	0.5
130.08733	2.5
134.03746	0.3
135.04509	0.6
136.01729	0.2
137.02431	100.0
138.02753	2.3
143.03479	0.2
150.03197	0.2
161.04509	0.4
164.85423	0.2
168.91783	0.2
179.03503	0.6
179.05524	0.4
191.05502	0.4
193.05107	0.5
208.03749	0.2
209.06664	0.3
211.94191	0.2
223.06209	0.3
241.00285	0.3
256.31070	0.2
281.06613	0.4
311.10068	0.3
312.10263	0.2
313.11032	0.3
341.13885	0.3
381.64755	0.2
443.11908	3.5
461.13092	0.5
502.26776	1.0
521.26099	1.7
537.16302	0.8
549.16205	0.9
581.14124	2.9
582.15497	0.2
582.22516	2.2
602.06122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.34249	0.6
57.03443	8.9
59.01364	2.9
61.98826	3.8
67.01888	2.0
68.99805	3.7
69.03451	4.7
70.63277	0.8
71.01373	11.4
71.08155	0.9
71.08498	1.0
72.99300	6.4
73.02920	0.7
83.01378	4.9
85.02943	25.0
87.00859	4.7
87.04499	2.6
89.02462	0.9
93.03436	1.4
95.01344	0.8
95.41882	0.6
97.02931	9.6
99.00857	8.0
111.00886	4.1
113.02427	2.6
115.03992	6.1
121.02954	5.4
122.03723	3.3
123.00854	0.7
123.04509	1.9
129.01930	16.2
133.02953	1.6
134.03725	28.9
135.04514	1.5
137.02406	2.7
141.01959	4.4
149.02440	9.6
149.06070	6.7
150.03212	30.7
151.03999	4.9
153.01801	0.8
159.02954	2.7
160.01619	2.6
164.04771	2.2
165.05548	29.2
166.05872	1.1
175.03983	3.0
178.02696	9.5
180.04236	2.5
181.05031	4.8
191.05595	22.9
192.05771	0.7
193.05037	38.0
194.05360	1.2
195.06592	12.0
209.06699	3.1
226.07503	0.8
239.07002	1.0
241.09790	1.5
247.09773	0.8
250.06294	1.7
253.09749	0.7
254.09615	1.1
256.88364	0.6
267.06686	1.2
269.12866	3.7
280.08524	1.9
282.08929	4.9
291.08463	0.7
295.10831	5.7
313.12018	2.2
339.09778	2.2
341.10229	14.3
342.10556	1.0
362.69785	0.8
367.10001	1.1
384.10217	0.9
385.11328	2.2
389.12424	4.2
456.84409	0.8
487.17166	1.4
517.13239	1.6
531.15741	6.1
549.16962	6.8
563.18671	1.3
581.18677	100.0
582.19025	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	581.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
57.03446	9.0
59.01366	3.9
67.01886	2.3
68.99805	3.6
69.03448	4.1
69.35861	0.9
69.54236	3.7
69.54653	1.9
71.01379	14.3
72.99301	6.6
74.02457	2.9
83.01377	5.3
85.02949	28.3
87.00867	6.1
87.04519	2.1
93.03453	1.5
96.95986	1.2
97.02938	8.1
99.00867	9.1
109.02950	1.0
111.00887	4.7
113.02455	1.4
115.03996	6.7
121.02923	3.9
122.02467	1.7
122.03735	5.9
123.04501	1.5
129.01933	19.8
133.02934	2.0
134.03735	37.1
135.04501	1.4
137.02429	4.4
139.03960	1.0
141.01915	5.1
147.04489	1.1
147.08051	0.8
149.02428	10.7
149.06081	8.7
150.03221	44.0
151.03963	4.8
153.01917	3.0
159.03041	3.8
160.01604	2.4
161.02490	1.4
164.04752	2.3
165.05554	46.1
166.05885	1.4
168.23109	0.8
175.03976	3.6
178.02702	13.9
180.04240	3.4
181.05038	5.2
191.05597	21.7
193.05037	52.6
194.05345	1.4
195.06610	17.9
203.08243	1.4
204.08546	1.1
209.06612	5.1
245.09273	3.5
246.09584	2.6
247.09746	1.9
282.08969	2.2
282.15817	0.9
341.10272	3.8
352.35941	0.8
367.10233	1.1
384.10678	1.4
385.11261	3.0
389.12314	4.4
531.15735	1.9
581.18652	100.0
582.19122	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	580.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.3
61.98826	1.1
70.93758	0.5
70.94084	0.9
71.01376	1.4
73.02957	0.4
78.95899	20.1
78.98586	1.8
79.95731	2.2
80.96511	14.7
80.96997	0.6
82.48701	0.4
82.96101	1.0
85.02950	0.7
87.00857	1.0
88.71856	0.4
94.98083	3.7
96.96031	0.9
101.02429	1.0
106.98047	0.6
114.62773	0.4
122.97593	0.8
122.98549	0.4
125.02454	0.6
134.97549	1.0
148.99123	1.3
152.98520	0.8
152.98807	0.5
152.99577	2.6
164.98636	1.9
165.98865	0.5
168.04279	3.0
201.75661	0.4
224.06902	7.8
225.00757	3.1
226.01053	1.0
242.07906	2.0
281.24823	100.0
282.25204	5.5
408.62704	0.5
506.32446	69.6
507.32782	6.6
513.33276	0.5
521.50702	0.5
580.28693	26.3
581.28229	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	580.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43122	0.3
51.96998	0.2
59.01375	14.4
61.98824	7.5
63.69632	0.2
63.99229	1.1
65.60166	0.2
70.84775	0.7
71.01372	0.9
73.02953	0.2
75.00848	0.2
78.95898	5.5
78.98576	0.7
79.23192	0.2
79.95721	1.1
80.96510	8.9
82.96093	0.6
84.59380	0.2
85.02950	0.3
87.00855	0.3
94.98075	1.9
96.95985	0.4
101.02445	0.2
106.98083	0.3
114.87582	0.2
122.97598	0.5
134.97583	0.5
148.99123	0.9
152.98586	0.6
152.99648	1.1
164.98575	1.5
168.04283	1.4
173.17044	0.3
182.99690	0.3
192.38832	0.2
206.99583	0.3
224.06892	0.9
225.00716	2.0
226.00960	0.6
242.07979	2.3
253.17624	0.2
275.52347	0.2
280.23428	0.4
281.24811	100.0
282.25153	5.7
506.32434	37.7
507.32874	3.6
580.28687	16.7
581.28558	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	581.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28193	0.2
55.01867	0.2
59.01372	4.0
65.03955	4.2
67.01878	2.1
69.03461	0.4
69.34190	0.2
71.01379	2.7
72.99301	0.6
73.02943	0.9
79.95732	1.8
80.96516	0.4
81.03462	0.6
83.01391	0.9
85.02958	1.9
87.00874	0.4
88.98810	0.3
89.02447	1.6
91.01894	1.2
93.03476	0.6
95.01364	0.7
95.95197	0.4
96.96000	4.5
97.02966	0.5
101.02444	2.1
108.02162	0.6
109.02944	40.2
110.03264	0.9
111.00870	0.5
113.02440	1.3
118.30983	0.3
119.03457	0.4
121.02946	44.9
122.03307	0.8
123.04520	0.7
125.02431	3.0
129.01917	0.4
134.03705	0.4
135.00871	12.0
135.04503	0.5
137.02472	0.4
138.97050	0.3
139.04059	0.3
143.03477	1.1
145.12564	0.3
150.03157	0.7
151.03925	0.6
153.01923	100.0
154.02271	2.1
161.02191	0.3
165.05576	0.6
167.03476	1.5
173.06052	0.9
195.06721	0.3
209.04578	1.4
209.06297	0.3
213.09195	0.8
217.04977	0.5
229.08641	0.4
229.61795	0.3
235.06195	0.3
239.05573	0.8
241.00275	0.4
256.99597	0.6
257.08267	0.6
269.08420	0.3
270.91150	0.3
299.00604	0.4
299.09332	1.4
305.08582	0.9
311.09149	0.7
341.06104	0.5
341.10248	8.9
342.10583	0.4
355.11780	0.3
371.11301	6.6
372.11584	0.4
383.11508	0.5
401.12445	1.8
415.12473	0.5
425.07852	0.3
443.13193	1.0
461.14435	1.4
462.98434	0.3
473.14319	0.4
491.15482	0.5
496.18954	0.4
521.33130	1.0
537.20245	1.6
563.17810	0.4
581.14935	33.3
581.25720	2.5
582.15161	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	580.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86428	0.3
57.03444	0.8
58.02984	0.8
59.01374	11.0
61.98825	4.6
69.31683	1.5
69.32119	2.1
71.01375	5.7
73.02948	0.4
75.00845	0.7
79.95744	3.1
80.96507	1.0
83.01380	0.7
85.02943	2.8
87.00881	1.0
89.02437	3.8
93.03456	4.1
95.01374	0.4
95.95229	1.0
96.96004	14.3
97.02950	0.6
97.06557	0.3
101.02433	2.5
111.00856	0.4
111.54472	0.5
113.02445	1.6
119.03509	0.9
125.29195	0.4
128.10788	2.3
129.01942	1.0
130.08731	100.0
131.09070	1.5
134.03735	0.7
137.02440	9.0
138.97073	1.2
156.19630	0.4
161.02386	0.5
163.41197	0.4
165.05565	0.6
172.09784	5.5
189.09180	1.2
209.06717	2.2
210.07101	0.8
241.00218	3.6
256.99753	0.9
301.10913	0.4
302.11316	0.7
311.10437	1.2
312.10724	1.2
320.18680	1.2
338.19815	0.5
342.93201	0.5
356.09604	0.7
361.20074	0.8
362.20435	0.9
388.11240	0.8
400.20279	0.6
438.60910	0.4
449.11240	0.7
449.84183	0.5
469.30536	0.4
500.24985	33.9
501.25165	2.8
520.21350	0.4
548.16205	2.3
580.20642	69.3
581.20667	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.7
57.03450	7.3
59.01377	19.1
61.98819	2.3
63.93724	0.5
67.01867	1.4
68.99810	2.1
69.03452	4.1
71.01379	18.6
71.62878	0.7
71.63230	0.6
72.99306	5.3
73.02946	5.9
79.95734	15.7
80.96542	0.9
80.99699	0.6
81.03423	0.6
83.01374	5.6
85.02946	24.6
86.00127	1.0
87.00892	5.7
87.04523	2.8
89.02435	3.3
95.01387	1.6
95.05029	0.8
95.95198	1.8
96.39534	0.6
96.95373	1.0
96.96002	17.5
97.02936	7.2
98.95561	0.6
99.00870	5.0
101.02438	11.9
105.03442	2.5
110.00117	1.0
111.00901	2.7
113.02437	6.8
115.04008	3.5
121.02963	0.6
123.04512	2.7
127.07603	0.6
129.01929	10.9
133.02950	16.5
134.03755	4.0
135.04543	4.6
136.01630	0.9
137.02403	1.7
138.97025	1.1
139.03947	0.9
141.01920	2.7
149.02431	1.1
149.06017	1.4
151.03995	2.3
159.02974	1.5
160.01593	1.3
161.02414	2.5
165.99028	2.0
175.04031	0.8
177.01903	6.8
178.02753	3.3
179.03462	5.8
180.04054	0.9
191.05589	7.6
193.05060	2.8
195.02985	1.5
195.06580	2.2
209.06621	8.5
209.08333	0.9
221.04466	0.6
225.14966	0.9
238.98648	1.3
241.00194	1.8
256.99680	3.9
289.14804	0.7
291.12762	0.6
316.06049	1.1
331.08234	4.8
353.08810	1.3
360.09726	1.8
360.60117	1.3
367.10037	0.9
369.08264	10.3
370.08948	4.2
371.09790	0.8
385.11368	1.3
387.10791	1.1
387.20209	16.0
388.20499	0.9
475.28958	0.8
519.30457	1.0
529.22845	2.9
535.13818	0.6
579.17297	6.6
579.26166	100.0
580.17963	1.3
580.26605	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	580.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34577	0.9
59.01374	24.5
61.98811	1.9
62.33826	0.9
69.32261	9.5
71.01399	1.6
71.14783	1.0
71.82343	1.0
78.95893	31.2
79.95742	1.1
80.96510	2.0
96.96001	36.3
96.96932	1.6
98.20785	1.7
98.95589	1.8
99.92591	1.0
104.89769	1.2
115.92059	4.7
116.92856	2.0
152.99590	6.5
153.21638	1.0
168.04297	2.9
179.89227	3.5
180.90056	1.6
182.47197	1.1
188.31421	1.0
196.89459	5.8
203.09198	1.0
224.06885	9.3
236.92667	2.1
242.07961	2.5
255.23285	2.4
281.24820	100.0
282.25244	3.6
343.01086	1.2
357.71826	1.2
497.15341	1.1
506.32446	80.1
507.32919	6.4
544.63159	1.1
563.16949	1.8
580.28961	3.1
581.18188	10.1
581.28369	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	579.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98824	100.0
65.20100	0.2
69.41708	1.0
69.42116	0.3
75.00883	0.2
78.95897	1.0
96.51008	0.2
103.11210	0.2
152.99625	0.6
168.68733	0.2
185.28352	0.2
192.13330	0.2
201.69334	0.2
221.87303	0.2
226.44048	0.2
229.37779	0.2
277.21695	3.7
278.22043	3.9
278.24866	0.3
279.22336	2.4
280.22540	1.2
384.70490	0.2
502.29071	1.0
503.29675	0.4
504.29898	1.0
505.30203	2.2
579.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20266	0.6
54.69889	0.6
55.01861	2.4
57.03437	5.4
58.54589	0.6
59.01375	23.0
61.98820	4.2
67.01862	0.8
68.99801	1.5
69.03444	3.8
71.01377	20.4
71.62922	0.8
72.99305	4.8
73.02940	5.7
75.00856	1.0
76.17359	0.7
79.95728	19.6
80.10056	0.6
80.96503	1.9
83.01385	6.6
85.02942	23.1
85.66568	0.6
86.00070	1.2
87.00876	6.1
87.04485	1.5
89.02439	4.1
94.32041	0.7
95.01405	0.8
95.95214	2.7
96.96001	22.3
97.02937	7.0
99.00868	5.3
101.02432	8.8
101.85461	0.6
105.03474	1.5
109.06599	0.7
110.00047	1.1
111.00903	3.7
111.69771	0.7
113.02438	7.2
115.03970	3.5
119.03502	0.9
121.02930	0.9
122.61697	0.7
123.04485	1.8
127.07671	0.8
129.01924	11.7
133.02936	10.3
134.03769	3.5
135.04518	3.6
137.02393	1.5
138.97021	1.3
141.01884	2.4
149.02426	1.1
149.06010	1.4
151.03941	0.8
151.97791	0.8
159.02965	1.8
160.01619	1.1
161.02448	2.0
161.04543	0.9
165.99065	1.1
177.01915	4.9
178.02637	2.4
179.03445	5.4
191.05560	7.2
193.05008	2.8
195.02953	0.9
195.06615	1.0
209.06616	6.9
224.12105	0.7
225.14926	1.1
238.98682	0.7
241.00192	2.7
256.88159	0.8
256.99689	4.1
316.05704	1.6
331.08154	5.7
347.72617	0.7
360.09824	2.7
360.59818	1.9
367.10294	1.2
369.08237	7.0
370.08850	2.6
387.10471	0.8
387.20193	16.9
388.20279	1.4
391.21387	1.0
475.28659	1.2
519.30353	2.4
529.22681	3.1
579.17297	5.3
579.26117	100.0
580.26587	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	579.2474
Annotation	Cycleacurine
Peak:m/z	Relative Intensity
55.01852	0.5
59.01376	5.4
61.98819	0.4
71.01043	0.5
71.01378	2.8
72.99305	1.3
73.02954	1.1
75.00870	2.4
79.95724	11.0
80.96510	6.2
83.01381	0.9
85.02932	2.5
87.00863	3.3
87.04510	10.6
94.98045	0.4
95.01411	0.4
96.96004	52.7
99.00851	0.6
101.02446	4.0
113.02450	2.6
116.31741	0.4
127.36004	0.4
134.03737	1.8
137.96284	0.6
138.97057	4.0
150.97043	1.3
166.96555	4.9
180.98100	1.0
193.05011	1.7
241.00209	100.0
242.00403	3.0
256.99756	1.0
289.60806	0.5
331.19083	0.5
334.84317	0.5
337.23801	17.1
338.24182	0.6
464.13824	0.5
514.35388	0.4
579.24774	27.4
579.69714	0.4
580.25079	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	579.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40209	0.6
54.69113	0.6
56.58454	0.6
57.03442	4.1
59.01374	39.7
67.01884	0.7
68.99797	1.9
69.03448	2.4
69.67854	2.4
69.68266	0.9
71.00983	0.9
71.01376	12.4
72.99298	3.5
73.02940	1.1
75.60657	0.5
75.92824	0.4
83.01371	2.9
85.02950	13.8
87.00864	3.9
87.04514	1.8
89.02437	7.3
95.01375	0.6
97.02930	4.7
98.20615	0.7
99.00866	2.9
101.02431	5.6
111.00867	2.2
113.02428	4.7
115.03999	1.9
119.03486	2.9
129.01044	0.9
129.01930	9.9
141.01929	1.9
152.55231	0.7
159.02966	1.3
163.11292	3.8
169.26581	0.5
191.05553	4.5
207.10226	6.7
209.06622	5.9
387.16571	26.9
388.16861	2.1
443.65308	0.5
529.19336	4.0
579.22876	100.0
580.23126	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	579.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.0
59.01375	48.3
61.98827	7.4
67.01883	1.0
68.99799	1.8
69.03444	3.0
71.01377	16.2
71.62967	1.0
72.99301	3.6
73.02929	1.8
83.01363	3.4
85.02943	18.2
87.00854	5.4
87.04501	1.3
88.98795	0.6
89.02434	10.7
90.55155	0.5
95.01402	0.8
96.95994	2.3
97.02947	5.1
99.00879	4.7
101.02435	6.6
111.00840	3.3
113.02436	4.5
115.03997	2.5
119.03482	2.9
129.01041	1.0
129.01939	12.2
134.03757	1.0
141.01875	3.2
149.04497	1.4
150.03188	2.0
159.02965	2.4
163.11285	9.8
165.05548	2.0
166.07346	0.5
175.03941	0.8
191.03825	1.0
191.05598	8.3
195.06564	1.6
207.10228	1.4
209.06645	8.1
225.11208	1.0
260.09601	0.6
260.62805	0.7
337.09253	0.8
387.11432	1.4
387.16519	23.0
388.16724	1.5
417.11414	0.7
461.14352	1.5
519.24219	3.6
529.19147	3.6
579.22913	100.0
580.23254	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	579.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03447	5.8
58.00578	1.9
59.01376	71.1
61.98833	3.4
67.01863	0.9
68.99802	1.2
69.03447	2.7
70.19311	1.6
70.19698	1.6
71.01379	21.9
72.99306	4.3
73.02924	2.0
78.95903	1.7
83.01366	4.2
85.02944	20.9
87.00863	4.3
87.04509	1.6
88.98782	0.9
89.02438	12.6
95.01393	1.0
96.96003	9.6
97.02938	4.4
98.19946	1.1
99.00861	4.1
101.02431	10.4
106.33508	0.8
111.00874	3.3
113.02435	6.7
115.04005	1.6
116.92863	4.1
119.03490	5.5
123.00896	0.8
125.02395	1.4
129.01923	10.8
141.01941	2.1
149.99561	1.5
151.00243	0.8
159.02954	2.6
163.11270	20.2
165.18953	0.7
168.00607	3.1
189.89027	0.7
191.05621	6.1
207.10246	7.3
209.06638	22.6
223.06085	1.0
285.04044	0.9
387.16562	90.3
388.16946	5.7
425.06796	1.0
461.14828	0.8
499.30057	1.8
529.19232	1.5
579.22949	100.0
580.23267	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	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01376	12.7
61.98825	1.7
64.51506	0.6
68.99809	0.7
69.03464	1.2
69.48170	4.3
71.01374	5.3
72.99295	1.0
73.02926	1.2
77.46449	0.6
83.01424	0.6
85.02952	5.0
87.00867	1.0
89.02444	2.1
93.03452	0.7
95.01376	0.9
96.95998	3.2
97.02930	1.1
98.20577	0.9
101.02430	2.3
108.02183	1.0
109.02947	2.2
109.06596	1.8
113.02438	2.2
119.03512	1.3
120.30854	0.5
123.00867	2.0
123.04531	0.9
125.02372	0.7
127.07655	3.4
129.01926	1.7
134.03728	2.7
137.02443	7.4
139.03972	1.2
149.02370	1.2
149.06079	1.1
150.03165	1.1
151.00357	15.8
151.03986	1.3
152.01018	0.8
152.04770	1.6
159.03061	0.8
159.04460	0.6
161.04514	0.9
162.03156	0.8
163.04082	0.8
164.04787	0.7
165.01964	0.7
166.02696	49.2
166.70204	0.5
167.03293	2.5
175.04031	1.7
177.01923	2.1
178.02708	2.3
179.03450	0.8
181.05054	68.3
182.05396	1.7
191.05562	1.0
192.04237	1.6
193.05022	6.1
195.02823	0.7
205.04964	0.9
207.06673	1.8
209.06708	3.3
309.09155	0.6
311.10330	4.5
329.11081	1.0
337.08401	2.4
355.09293	2.0
359.11362	1.6
369.10699	0.8
384.10669	2.3
387.10889	14.9
391.21140	1.0
399.20145	2.0
402.13162	5.6
417.15506	100.0
418.15869	7.2
503.91925	0.6
519.30939	2.2
547.15527	5.7
548.16193	0.9
578.97308	0.6
579.17261	7.1
579.26038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01376	100.0
60.01712	0.7
62.15590	0.5
66.37535	0.5
68.99734	0.4
69.00631	0.4
69.24667	0.5
69.43198	4.1
71.01382	3.0
73.02949	1.2
83.01391	0.9
85.02961	2.7
87.00856	0.6
89.02441	2.5
91.01936	0.8
92.98693	0.6
93.03432	0.6
96.95998	0.7
96.99327	0.8
99.00866	1.3
101.02460	2.1
107.14133	0.6
108.02193	1.8
109.02966	1.4
111.00909	0.6
113.02451	0.5
116.12604	0.5
117.03490	0.8
120.00514	0.5
121.03014	1.0
123.04527	1.6
126.90373	1.1
129.01942	1.9
134.03700	4.2
145.02951	1.1
147.04539	0.7
149.04564	2.1
149.05743	0.6
158.03720	1.1
159.04474	3.0
161.06128	0.6
163.04010	0.8
165.05655	1.0
173.06105	1.3
175.04051	2.1
178.02690	0.9
189.05656	1.4
190.06400	1.4
191.05582	1.2
193.05042	3.9
209.06642	5.7
221.06386	0.6
222.05391	1.1
227.03513	2.7
233.04620	0.6
235.07585	0.9
241.05124	0.7
251.07277	0.7
255.02922	4.8
263.07318	1.3
267.06647	1.8
268.07501	0.5
269.08282	1.8
279.06787	1.6
281.08139	3.9
282.09082	1.5
283.09769	1.2
284.03265	5.9
285.03909	2.8
292.07272	0.7
293.08429	0.8
294.09094	1.4
295.06128	1.5
297.07703	6.9
297.10913	0.8
309.07782	13.1
309.11407	3.4
310.08340	1.6
311.09515	0.5
312.10034	9.5
313.10626	0.7
323.05905	0.5
323.09381	2.3
324.09991	9.2
325.10770	1.6
327.12350	43.0
328.12753	2.7
336.73312	0.6
339.12338	38.1
340.12817	3.0
362.00415	0.5
369.09927	1.3
386.06824	0.5
387.10843	21.5
388.11377	1.4
542.94940	0.5
549.16467	2.0
579.13312	4.4
579.23236	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	579.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03447	4.1
59.01379	39.7
68.99804	1.4
69.03442	2.8
71.01377	14.7
71.61846	0.8
71.62209	0.8
72.99294	4.2
73.02974	0.8
75.93938	0.5
82.35928	0.6
83.01369	3.0
85.02943	16.2
87.00861	4.9
87.04515	1.8
89.02441	9.2
91.98553	0.6
95.01392	1.6
96.96014	1.5
97.02951	4.9
99.00855	4.4
101.02437	6.3
109.02974	0.9
111.00874	2.3
111.68498	0.6
113.02431	4.4
115.03996	2.3
119.03481	2.5
129.01933	9.3
141.01924	2.1
150.03175	0.7
159.02998	0.9
163.11264	9.4
165.05493	0.7
191.05589	5.9
207.10246	4.1
209.06641	7.5
262.07922	0.6
295.96323	0.6
387.11493	1.5
387.16556	28.1
388.16934	1.4
466.83359	0.7
529.19037	3.5
557.41516	0.7
579.22931	100.0
580.23022	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	579.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
57.66066	0.5
59.01371	9.3
60.10754	0.6
61.98825	1.7
65.45197	0.6
66.73006	0.5
68.99817	0.6
69.03452	1.0
69.76090	1.8
69.76495	1.6
71.01373	6.2
71.19254	0.7
72.99316	1.7
73.02950	1.6
73.47004	0.7
79.95724	1.0
83.01399	0.9
85.02939	5.9
87.00886	1.8
87.04501	0.8
89.02425	3.6
96.96011	5.0
97.02953	1.5
99.00913	1.2
101.02426	3.3
108.04552	4.9
111.00922	0.8
111.50049	0.6
113.02468	1.6
119.03503	1.0
122.06106	3.0
128.03493	1.3
129.01938	3.0
130.08728	11.1
132.04558	2.9
134.03789	0.9
134.06104	3.1
136.04050	0.8
141.01955	0.7
148.04074	0.7
149.04564	0.7
150.05623	1.6
159.03053	1.2
160.04042	11.9
161.02484	0.6
161.04820	6.1
162.05618	11.2
174.05464	0.7
176.07198	1.5
188.03523	6.5
188.07095	0.7
190.04985	0.9
191.05663	2.6
193.03661	6.2
193.05270	1.0
202.05147	0.8
204.03001	0.8
209.06644	12.4
212.07190	1.6
213.06537	0.7
214.08783	2.0
218.04584	1.7
224.09431	0.7
226.03831	0.7
226.08720	2.6
227.08307	1.4
237.10335	0.8
238.08716	1.7
239.06007	0.9
239.08151	1.1
239.11810	1.6
240.05127	1.1
240.10365	2.8
241.00125	0.9
241.06172	3.0
241.09734	0.7
242.06752	0.6
243.11403	1.0
252.09021	1.1
253.06085	1.5
254.06979	2.5
255.07751	4.8
255.10228	0.7
255.11136	0.6
257.09296	12.7
265.09860	2.2
266.08066	2.1
267.04224	1.3
267.07718	2.7
267.11386	7.5
268.09955	3.8
269.09283	14.3
280.04819	0.8
281.05667	4.3
281.09186	3.6
282.02823	1.2
282.06430	1.0
283.07263	3.3
283.10870	6.1
285.12421	7.8
293.09253	2.4
294.06909	2.4
295.07236	6.6
296.07944	2.5
301.10782	1.1
309.08752	10.7
311.10352	86.2
312.10696	4.6
329.11432	12.0
337.08270	29.8
338.08624	2.5
355.09357	26.0
356.09644	2.0
361.20065	1.2
369.10995	2.9
387.11862	12.3
387.16733	1.1
388.12546	0.7
399.20148	1.6
471.14120	1.4
500.25055	3.3
503.16788	14.3
504.16672	1.1
529.14600	0.9
547.15631	100.0
548.15942	9.5
561.23962	0.7
579.17877	7.8
579.26514	2.6
580.20538	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	579.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72428	0.9
57.03430	2.1
57.46458	1.0
59.01376	55.1
64.31129	1.1
65.56049	0.9
70.99388	0.9
71.01414	7.8
72.20425	1.0
72.99310	6.7
73.02931	2.7
75.00873	10.9
79.95730	36.5
80.96509	26.4
83.01373	3.3
85.02940	8.0
85.58969	0.9
87.00875	6.4
89.02431	3.9
95.95217	4.3
96.96004	100.0
97.02948	1.9
99.00860	3.3
99.04523	3.3
101.02419	4.5
111.00856	9.5
113.02435	6.2
115.00363	2.3
119.03448	1.2
120.95985	5.4
125.02383	0.9
129.01947	6.5
136.61958	0.9
136.95427	1.1
138.97060	11.3
141.01921	3.8
143.03493	1.1
144.65976	1.0
148.05263	1.1
148.99092	1.2
150.97046	2.6
153.01894	1.3
154.96567	1.7
159.02913	1.3
161.04553	2.4
171.02975	1.1
192.98070	1.2
201.04079	2.4
220.97534	1.0
238.98608	4.4
241.00238	3.7
245.06638	1.2
251.16493	1.3
253.00143	2.5
256.99643	8.5
262.98685	1.0
280.97131	1.5
280.99722	12.6
283.01321	6.7
299.00754	38.2
300.01212	1.4
312.12289	1.7
337.18073	1.8
342.99838	1.1
385.11023	1.0
413.21582	1.5
429.62155	1.1
437.19965	1.1
455.22815	3.7
493.17554	5.4
499.33994	1.3
517.64136	1.1
535.18488	95.7
536.19049	8.0
561.16528	1.9
579.17310	59.9
579.24884	6.0
580.17389	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	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41684	1.7
55.01859	2.7
57.03440	11.6
59.01374	64.6
61.98820	5.4
67.01876	4.7
68.99809	9.6
69.03452	9.7
69.32143	18.4
71.01379	35.1
72.99301	11.9
73.02924	4.5
75.00874	5.1
79.95766	4.0
83.01364	8.2
85.02945	33.9
87.00858	8.4
87.04498	7.0
89.02449	11.4
95.01354	3.6
96.95996	13.3
97.02934	17.9
99.00872	10.7
101.02441	12.2
107.23705	1.8
107.49140	1.7
108.02152	17.7
109.02937	19.6
111.00862	6.7
113.02452	11.3
115.03990	6.9
117.03489	2.5
119.03457	2.2
119.05005	4.6
121.02924	3.8
122.03707	3.3
123.00865	5.3
123.04520	12.4
124.01701	2.9
125.02353	2.1
127.07666	2.1
129.01945	30.3
132.02155	2.3
133.02922	7.0
133.59505	1.8
134.03723	40.1
135.04475	3.2
136.01649	6.4
137.02431	8.4
139.01596	1.7
141.01936	11.3
147.04475	6.7
149.02388	4.1
149.06058	9.5
149.67821	2.0
150.03136	7.8
151.04015	11.3
153.05571	4.2
159.03012	3.5
159.04361	2.2
160.01651	5.3
161.02376	6.4
162.03285	2.7
163.03970	5.4
175.04002	8.2
177.01855	3.5
177.05554	4.8
178.02693	28.4
179.03465	14.9
181.05011	2.0
188.04770	3.6
189.05513	2.8
191.03816	2.5
191.05592	28.0
192.04277	10.4
192.05708	2.1
193.03270	3.9
193.05026	61.3
194.05325	2.7
207.06573	6.9
209.06595	7.0
223.06104	2.0
231.95332	1.9
233.04474	3.8
245.04533	1.9
298.08389	6.6
310.08408	2.4
313.10681	8.0
325.11014	1.9
338.11108	2.1
343.08063	3.5
345.61987	1.7
355.08167	7.5
357.09723	10.0
357.13214	3.4
367.10425	3.3
369.09711	23.7
373.09354	9.6
384.10428	4.1
385.11432	2.7
387.10794	65.6
388.11099	4.6
414.11841	2.6
417.15778	2.8
417.24420	2.6
487.66190	2.1
515.11835	2.6
519.24158	2.3
519.31262	7.7
529.13489	2.2
547.14221	3.1
549.16089	5.5
561.15887	27.8
578.25244	7.0
579.17072	100.0
579.25580	12.2
579.30786	12.2
580.17456	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	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
55.01868	2.4
57.03446	9.6
58.00593	1.4
58.63266	1.0
59.01374	32.3
61.98816	5.2
65.25129	1.1
67.01871	1.4
68.99799	3.4
69.03452	10.0
71.01382	24.6
71.62323	1.2
71.62792	1.3
72.99310	9.8
73.02939	5.3
73.73692	0.9
77.46839	1.2
79.95736	44.8
80.96494	3.1
83.01385	8.3
84.02139	1.1
85.02949	40.3
87.00858	11.6
87.04502	4.9
89.02438	5.4
89.03969	1.9
91.62727	1.2
93.03448	1.6
95.01374	2.7
95.05016	3.4
95.95245	5.8
96.96006	37.2
97.02935	14.6
99.00879	9.1
101.02438	11.2
105.03455	9.9
109.02936	1.7
109.06594	1.1
110.00087	1.2
111.00854	8.1
113.02477	7.1
115.03999	6.2
116.92819	1.6
119.03439	1.1
119.04962	1.0
121.02940	3.0
123.04521	14.0
127.07651	1.3
129.01060	1.7
129.01942	25.6
132.02179	1.8
133.02948	81.4
134.03741	17.5
135.04526	25.3
136.01624	4.9
137.02400	7.8
138.97072	1.8
139.03969	3.5
141.01953	7.8
148.05289	1.6
149.02420	5.8
149.06018	3.0
150.03201	3.6
150.97047	2.2
151.03976	10.4
159.02930	4.6
160.01637	6.8
161.02443	14.9
163.03992	1.6
165.99060	1.9
173.04543	2.0
175.03941	2.8
177.01901	33.0
177.05359	2.4
178.02684	13.9
179.03487	28.9
180.04193	2.2
181.04890	1.4
191.05585	16.8
191.07129	1.9
193.05000	11.7
194.05708	2.0
195.02953	5.6
195.06583	5.7
209.04666	2.3
209.06633	38.1
209.08507	2.3
211.06070	4.9
221.04503	4.1
225.11255	1.4
238.98608	3.4
241.00163	5.7
249.03976	1.7
251.05315	1.2
256.99765	9.7
277.07156	1.6
331.08160	3.9
335.07730	1.2
351.07330	2.1
352.08084	1.8
353.08527	5.2
360.09933	2.0
360.59979	1.4
360.84958	1.5
367.10263	4.9
369.08206	49.2
370.08972	20.6
371.09229	1.6
385.11285	5.9
387.10864	3.9
387.20209	16.6
455.44250	1.3
519.30231	2.6
535.13696	1.4
561.16058	4.0
579.16943	36.3
579.25586	100.0
580.17615	2.9
580.26636	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	579.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05578	1.0
55.01863	1.4
57.03445	10.1
59.01097	2.4
59.01376	39.9
61.98812	4.1
62.00805	1.2
67.01859	1.2
68.99818	9.0
69.03156	1.1
69.03456	12.7
70.01693	1.1
70.33276	3.8
70.33672	2.3
71.01381	26.0
72.99300	10.8
73.02932	2.3
73.64275	1.0
73.71523	1.0
75.00861	1.1
79.95740	1.5
83.01388	6.6
85.02945	34.8
87.00868	6.9
87.04502	4.8
89.02444	9.7
94.04276	1.4
95.01402	1.9
96.96001	11.1
97.02940	11.7
99.00862	9.4
101.02435	12.9
108.02176	14.2
109.02947	13.3
109.05871	1.7
109.06597	25.4
111.00871	4.8
113.02439	8.4
115.04005	6.6
117.03500	1.8
119.03491	3.1
119.05018	3.1
120.86977	1.1
121.02972	3.2
123.00903	2.4
123.04512	13.4
125.02440	1.5
127.07643	44.9
129.01935	21.0
130.08725	1.4
132.02151	2.8
133.02927	3.7
134.03737	42.7
135.04517	1.8
136.01657	4.2
136.99089	1.7
137.02434	6.5
138.03239	1.2
141.01909	5.4
143.03505	1.5
147.04524	6.0
149.02437	1.3
149.06071	12.1
150.03201	4.7
151.03947	4.7
153.05525	3.1
159.02954	2.2
159.04393	1.7
160.01649	6.3
161.02402	2.8
161.04501	2.4
162.03210	2.3
163.04051	2.8
163.07399	1.5
165.05550	2.0
173.04507	1.7
174.03218	2.7
175.03978	11.9
177.01891	1.4
177.05486	2.3
178.02690	38.3
179.03499	11.3
189.05574	4.0
191.05592	20.3
191.07115	1.2
192.04237	4.8
193.05035	88.0
194.05409	3.1
209.06644	20.8
217.05061	1.9
233.04489	5.3
241.00284	1.9
245.04462	3.2
261.07629	5.5
263.05469	1.4
265.07117	2.1
273.15091	2.3
279.02582	1.1
309.09613	3.7
311.10345	5.4
331.15457	16.8
335.07764	1.5
337.08252	1.6
355.08997	1.7
357.09613	4.1
367.10107	2.2
369.09647	1.5
373.09250	2.0
373.20148	1.9
384.10526	26.9
385.11304	5.0
387.10834	29.8
388.11157	1.9
391.21225	20.2
399.20264	9.5
515.11816	3.2
517.14014	1.3
519.23938	9.2
519.30194	2.2
547.14941	8.7
549.16010	6.4
561.16235	4.8
579.17114	100.0
579.25641	5.8
580.16943	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	577.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65466	0.4
51.73028	0.4
59.01093	0.9
59.01378	14.8
61.98808	0.5
65.15468	0.4
69.81403	1.6
69.81810	0.7
71.01384	4.2
73.02940	1.4
80.96516	1.2
83.01392	0.7
85.02954	1.1
86.47889	0.4
87.00864	0.5
89.02431	2.1
90.55914	0.4
101.02439	3.2
113.02444	2.2
117.94253	0.4
119.03488	1.0
123.04517	5.5
129.95035	0.4
135.04504	4.3
153.05574	6.5
161.04552	0.9
188.11754	0.4
235.08087	2.0
251.09077	0.4
253.09276	13.2
279.23386	0.9
281.24832	100.0
282.25201	6.2
293.24866	0.8
297.09729	2.3
299.04434	3.3
306.69110	0.4
315.10822	4.0
577.26288	0.9
577.34003	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	577.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.2
61.98831	0.6
71.01385	0.7
71.63179	0.6
82.84047	0.5
86.90428	0.5
89.84427	0.5
96.95991	0.7
198.81299	0.5
213.43590	0.5
272.07697	0.5
275.20197	0.9
277.21686	100.0
278.22070	5.5
279.78671	0.5
299.37579	0.6
339.47229	0.5
361.19595	0.5
577.42334	53.2
578.42639	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	578.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49672	0.2
59.01366	0.4
59.71032	0.2
61.75974	0.3
61.98824	100.0
63.19596	0.3
69.29634	2.8
71.01390	1.3
73.02950	0.5
76.66118	0.3
78.98576	1.0
79.95729	1.9
80.96508	12.9
81.53481	0.2
84.26720	0.2
85.02902	0.3
87.00867	0.5
94.98073	3.2
95.86009	0.3
96.96010	0.5
101.02458	0.7
106.98116	0.5
122.97577	1.2
125.02469	0.7
129.38187	0.3
134.97597	0.9
136.99107	0.3
148.99135	1.2
152.98616	1.4
153.59448	0.3
164.98599	2.4
182.99786	0.4
206.99762	0.6
225.00720	3.3
279.23288	1.5
280.23718	1.2
281.24152	0.8
282.24072	0.5
299.04431	0.9
406.01486	0.3
579.28357	27.8
584.03644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07482	0.3
59.01376	16.1
70.28405	1.2
71.01375	0.6
73.73219	0.3
78.95896	5.1
78.98592	0.5
79.95732	0.6
80.96507	5.8
82.96077	0.4
87.00890	0.3
94.98075	1.8
96.96043	0.4
98.19947	0.4
101.02414	0.5
105.93239	0.3
119.19861	0.3
122.97565	0.4
129.48399	0.3
138.73994	0.3
148.99129	0.5
152.98512	0.4
152.99588	1.2
164.98602	1.4
168.04295	1.2
178.52116	0.3
201.75023	0.3
202.52470	0.3
224.06918	0.9
225.00697	1.3
226.01106	0.5
242.07938	3.2
279.23257	100.0
280.23624	6.3
423.39685	0.3
504.30927	35.2
505.31183	2.2
558.27319	0.3
578.27081	11.0
579.26935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.6
65.22192	0.4
66.40315	0.4
70.47533	1.2
71.01381	1.2
73.02938	0.5
75.46169	0.4
78.95897	20.7
78.98571	1.5
79.95725	2.0
80.96509	16.3
82.96096	0.8
85.02935	0.6
90.54817	0.5
94.98080	3.9
98.20012	0.5
101.02436	0.6
106.98091	0.5
122.97578	0.8
122.98477	0.6
125.02406	0.5
134.37555	0.4
134.97559	1.2
148.99117	1.0
152.98608	0.8
152.99583	2.8
164.98640	2.3
168.04271	3.2
200.45506	0.4
208.43372	0.5
224.06900	9.5
225.00732	2.1
226.00958	1.1
242.08015	2.1
261.22208	0.6
279.23251	100.0
280.23621	6.2
316.54382	0.5
351.01907	0.4
504.30917	78.8
505.31177	6.9
525.77997	0.5
578.27142	29.0
579.27124	3.4
586.80640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
57.03428	1.8
58.00586	1.3
59.01373	17.3
61.98819	1.2
64.94154	0.5
65.39805	0.6
69.03434	1.1
71.01379	9.2
72.99298	1.7
73.02952	2.8
75.00875	1.3
76.84030	0.6
78.95858	0.7
79.95715	2.5
80.96563	0.6
83.01378	1.7
85.02956	4.8
87.00858	2.1
89.02419	1.5
95.01368	1.2
95.95218	0.7
96.66110	0.6
96.95999	10.9
97.02940	1.3
98.95554	0.6
99.00850	1.6
101.02444	4.4
111.00861	0.7
113.02422	3.3
124.01627	0.9
125.02419	0.8
125.09714	2.1
127.11289	4.3
129.01888	1.0
133.02931	1.8
134.03706	1.1
135.04492	0.8
137.09645	0.8
155.10762	1.7
155.95676	0.7
165.09186	1.6
171.10231	4.6
177.01982	1.1
183.10280	0.9
192.04239	1.0
193.04988	1.4
199.09821	1.6
200.38535	0.6
201.11299	26.8
202.11719	1.0
241.00226	1.1
243.91019	0.5
256.99741	2.0
293.21042	1.0
311.22311	2.3
329.23312	7.4
348.28198	0.7
353.06540	0.7
385.11496	1.0
455.26495	2.1
473.27512	12.6
474.27869	1.0
491.28598	19.6
492.28952	1.8
496.64969	0.8
533.29608	100.0
534.29974	10.0
537.20538	0.9
577.23468	4.4
577.31726	1.8
577.71564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85155	0.7
59.01372	13.2
63.02338	0.7
66.04118	0.7
69.03480	0.7
69.90968	1.8
69.91377	2.0
71.01366	2.6
74.06769	0.7
80.96504	1.6
85.02940	1.3
89.02441	3.2
92.43216	0.6
94.39786	0.7
101.02431	4.6
102.42199	0.7
108.02171	21.7
109.02977	6.8
113.02429	1.3
119.03558	0.9
134.97528	0.9
152.01152	13.4
152.52441	0.7
153.02010	3.5
161.04427	0.9
175.59698	0.6
233.31848	0.8
235.08157	2.2
253.09291	14.1
275.20154	1.9
279.23413	1.2
281.24826	100.0
282.25110	5.5
299.04413	7.1
329.30508	0.7
486.11029	0.8
577.30164	19.4
578.30402	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	577.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13280	0.6
59.01375	7.1
61.98837	1.3
71.01385	4.1
72.70921	0.6
72.99303	1.5
73.02938	1.2
75.00870	1.1
79.95732	9.2
80.96513	4.1
83.01386	1.0
85.02950	2.9
87.00862	4.1
88.27558	0.7
89.02435	1.3
96.96003	44.0
97.02902	0.8
101.02428	4.1
103.47098	0.6
113.02444	2.6
129.01926	1.6
134.03703	2.0
135.04529	0.8
137.96291	0.6
138.97069	2.3
149.06082	1.1
150.97066	1.3
160.01605	0.8
161.02498	0.9
165.39299	0.6
166.96523	6.3
175.03951	1.7
180.98135	0.7
181.15732	0.6
193.04987	1.6
209.06534	1.3
209.08264	1.2
225.54291	0.6
239.09120	0.9
241.00209	100.0
242.00543	2.9
256.99652	1.0
280.09717	0.6
307.05768	0.7
335.22232	47.8
336.22577	2.9
361.09222	0.7
367.10172	3.2
385.11154	0.9
447.46191	0.7
495.66183	0.9
577.23108	79.3
578.23615	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	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07539	1.5
57.03438	14.6
59.01377	25.4
61.98815	7.0
65.00308	2.7
67.01876	2.5
68.99795	5.2
69.03445	6.5
71.01378	25.4
71.27107	3.8
72.99306	7.2
73.02947	5.4
79.95737	27.6
80.96513	2.8
83.01376	7.7
83.35864	1.8
85.02945	47.4
86.81313	1.7
87.00870	17.9
87.04500	3.6
88.04170	1.7
89.02438	8.5
89.03975	2.9
91.01895	5.0
96.96003	50.4
97.02934	14.4
98.95561	3.3
99.00852	9.6
101.02430	9.1
108.02142	3.8
109.02937	6.4
111.00876	10.5
113.02432	8.5
115.03992	7.2
117.03432	6.7
119.03482	3.6
123.04517	10.0
129.01936	39.7
133.02820	2.1
134.03734	58.5
135.04439	3.4
137.02480	2.1
141.01903	7.7
145.02940	40.0
146.03741	19.3
148.01610	2.5
149.02452	2.4
149.06065	9.9
152.01103	2.1
153.01953	4.1
153.05547	6.0
158.03703	22.2
159.02980	9.6
159.04483	33.3
160.01625	7.0
160.05110	2.9
161.02382	3.9
161.04610	3.0
161.06042	6.3
163.03998	8.2
164.07126	3.5
173.06009	12.5
175.03972	8.2
177.01767	4.4
178.02673	7.3
191.05586	22.8
193.05038	71.8
194.05420	3.6
209.06639	99.7
210.06976	3.3
228.00562	4.3
237.05550	2.5
238.98552	4.5
241.00162	6.2
256.99561	9.4
265.04956	8.6
266.05685	8.4
267.06705	11.0
267.09286	2.6
280.07321	8.3
281.08139	16.9
282.08884	22.3
295.09747	15.4
297.11230	21.5
325.07156	2.5
341.10257	9.5
352.05951	9.2
360.09860	50.1
360.60037	20.5
361.09781	6.0
361.59891	2.5
367.08176	54.4
368.08743	2.4
385.11688	100.0
386.11368	5.4
463.20096	3.6
495.18906	2.5
517.29956	3.5
533.16925	3.4
577.14972	26.4
577.21320	3.6
577.29913	3.3
578.22369	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	576.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.1
61.98811	0.2
64.30318	0.1
71.01388	0.2
71.62035	0.2
78.22577	0.1
78.95898	6.4
83.05013	0.2
91.23967	0.1
94.08900	0.2
143.37981	0.1
152.99582	1.5
162.80759	0.2
168.04289	1.7
175.17412	0.1
205.19580	0.2
224.06900	1.3
233.22713	0.4
242.07982	3.3
243.08334	0.2
245.84273	0.2
259.20682	0.4
275.20166	0.5
277.21686	100.0
278.22046	6.0
324.70676	0.2
494.01382	0.2
502.29352	43.7
503.29718	3.7
548.85577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1192
Annotation	tricin 7-(6-malonylglucoside)
Peak:m/z	Relative Intensity
59.01377	66.0
61.98819	4.8
65.00322	3.8
65.38462	0.9
68.99830	1.0
69.47141	2.9
69.47549	5.7
71.01367	3.9
73.02951	3.2
75.00851	1.8
76.85069	1.0
83.01398	1.2
85.02951	4.1
87.00871	2.3
95.01381	1.3
96.96000	14.6
99.00881	1.1
101.02437	2.4
110.00089	7.0
111.00868	2.1
113.02430	2.3
125.06046	3.0
135.14287	0.9
136.98785	5.6
138.97058	1.1
139.00365	3.8
140.01076	1.1
147.04572	1.1
163.04073	1.0
165.99023	8.7
175.04015	1.2
185.02434	1.5
199.03998	2.0
209.06633	2.5
215.03481	1.8
226.02719	1.4
227.03412	5.4
230.05771	2.4
239.09370	1.6
241.00226	6.1
242.05841	3.8
243.02992	1.6
262.21234	1.0
271.02393	3.6
280.05103	1.3
281.00882	1.5
284.28113	1.4
285.03989	3.9
286.04297	1.2
299.01947	2.6
300.02872	1.3
313.03589	4.7
314.04288	100.0
315.04895	8.4
315.71204	1.2
329.06628	79.2
330.06955	3.2
340.48001	1.0
355.09976	1.4
373.19958	2.9
391.21075	1.1
483.14914	1.1
517.27991	10.1
533.12915	30.3
534.12994	1.8
546.44354	1.1
577.22766	9.2
577.31226	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	575.343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16889	0.5
58.00583	0.7
59.01373	21.7
61.98826	2.5
69.33794	3.8
70.86421	0.4
71.01379	7.5
73.02930	1.3
78.95891	1.4
83.01373	1.0
85.02924	2.2
86.34588	0.4
87.00857	0.7
89.02431	6.2
95.01380	0.6
96.96001	1.0
99.00849	0.5
101.02428	5.9
108.02161	5.4
109.02980	2.2
113.02436	3.4
119.03488	1.8
123.04500	1.3
125.02301	0.4
134.03720	0.5
135.04509	9.8
143.03421	0.5
152.01132	3.9
152.99580	0.4
153.01939	0.8
153.05553	1.2
161.04512	1.9
235.08252	1.1
253.09250	15.9
254.09615	0.7
277.21548	2.6
279.23248	100.0
280.23587	6.8
291.23264	1.7
297.09756	5.7
307.01245	0.5
315.10843	8.8
319.22842	0.4
409.74142	0.4
420.16788	0.4
464.16980	0.4
575.28101	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98828	100.0
62.51035	0.3
63.85544	0.3
70.20637	1.1
71.01368	1.5
73.02943	0.6
76.22402	0.3
77.99917	0.3
78.98603	1.2
79.95733	2.0
80.48797	0.3
80.96514	12.7
85.02975	0.5
87.00916	0.5
94.98087	3.5
97.02953	0.3
101.02447	0.6
106.98178	0.3
122.97598	0.5
125.02441	0.7
131.22687	0.3
134.97609	0.9
136.99184	0.3
148.99149	1.1
150.51047	0.2
152.98674	0.8
164.98630	2.4
166.23961	0.2
206.99771	0.6
210.31258	0.2
216.29695	0.3
225.00722	3.0
259.65070	0.3
277.21814	1.3
278.22186	1.3
279.22437	0.6
280.22708	0.3
299.04474	0.6
577.26807	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	574.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.6
62.96399	0.3
69.35873	0.6
69.36288	1.3
75.00874	0.2
78.95898	7.8
79.95740	2.3
96.96004	100.0
100.92298	0.2
122.00145	0.6
136.11490	0.2
136.93246	0.5
140.01164	0.7
150.75891	0.2
152.99629	0.5
155.84473	0.2
178.94217	1.5
194.90019	0.2
196.03831	2.4
214.04813	0.3
279.23257	8.3
280.23523	0.4
312.01663	0.8
476.27701	2.5
514.22546	0.4
574.24731	3.4
575.25128	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19338	0.2
59.01376	4.6
60.01715	0.5
61.01806	0.3
61.98829	4.7
65.47002	0.2
70.82969	0.3
70.83317	0.5
73.53928	0.2
78.22494	0.2
78.95895	0.9
81.03442	0.2
93.03421	0.4
95.01377	0.3
95.05025	1.0
96.96005	0.9
98.45453	0.2
108.02144	0.2
115.91515	0.2
121.02975	0.3
122.03763	1.2
123.04517	74.8
124.04830	1.9
137.02438	0.2
153.05565	100.0
154.05914	2.4
154.81029	0.2
195.06699	0.2
238.89960	0.3
241.84720	0.2
277.21747	0.7
279.23221	1.5
301.24704	0.2
314.26791	0.2
315.10733	0.4
575.32434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08032	0.2
59.01376	100.0
59.27874	0.2
60.01725	0.4
61.98827	0.5
71.33351	0.3
74.61129	0.2
78.95891	1.0
83.69797	0.2
91.67734	0.2
96.96034	0.3
107.05032	1.9
116.92866	0.4
128.91869	0.2
149.16112	0.2
152.99557	1.3
154.00024	0.2
156.81868	0.2
174.42139	0.3
181.33203	0.2
255.23338	0.6
257.23679	0.3
277.21704	0.5
499.34833	0.3
573.28119	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47352	1.9
56.03450	1.8
61.98806	4.0
71.19564	3.3
216.98694	1.7
241.21722	100.0
242.22076	5.1
271.65244	1.8
321.18167	1.8
394.12668	2.2
419.94705	1.9
571.30164	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	572.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.9
63.02833	0.7
71.01379	9.1
71.04624	0.9
71.05016	9.9
78.95878	1.3
87.33531	0.7
88.04038	78.0
96.96008	19.6
96.96954	1.6
98.95583	2.0
99.04504	3.3
116.07172	1.9
124.89702	0.7
129.05594	1.4
135.04514	2.2
138.05585	2.4
146.08234	35.7
147.08543	0.9
149.02477	1.2
150.03229	5.5
151.03568	1.9
165.05550	7.2
166.05901	4.1
195.06609	2.8
196.06943	1.9
218.10318	100.0
219.10648	2.3
248.09360	1.3
286.95645	0.8
293.11432	0.7
409.15112	0.8
410.15375	2.3
435.19479	0.8
572.10913	0.8
591.44635	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39150	0.3
59.01375	19.6
69.44428	0.6
69.44836	2.1
71.01370	6.3
72.74023	0.3
72.99314	0.5
73.02946	3.3
75.00844	0.5
83.01397	0.8
85.02937	2.0
87.00893	0.5
89.02446	2.0
95.01423	0.4
96.96000	0.8
99.00862	0.6
101.02433	3.8
113.02422	1.8
119.03502	0.4
130.08728	100.0
131.09082	1.8
152.83591	0.3
161.04723	0.3
186.96561	0.3
306.20822	1.2
351.69897	0.4
418.49341	0.4
468.26001	2.5
486.27017	8.3
487.27023	0.7
528.28082	98.8
529.28351	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	571.2882
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.98840	0.5
66.36132	0.6
71.62243	0.6
78.95898	53.7
80.59505	0.5
96.96945	11.0
146.10931	0.5
152.99577	53.0
155.44098	0.6
171.00636	0.6
191.56190	0.6
223.00136	1.7
241.01166	26.8
242.01505	0.6
255.23264	69.3
256.23618	3.2
315.04803	7.1
329.30014	0.5
349.41556	0.5
391.22491	4.5
409.23422	1.4
571.28821	100.0
572.29163	8.1
585.07990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98819	1.8
69.03437	0.9
71.01377	16.2
71.41714	0.8
71.42039	1.1
72.99297	1.4
73.02943	7.9
80.20325	0.7
83.01394	2.7
83.73357	0.7
85.02959	5.8
89.02447	8.7
95.01395	2.1
96.96035	4.3
101.02435	7.8
113.02443	12.0
119.03497	2.8
131.03528	0.9
137.02443	0.9
143.03513	1.3
161.04517	3.7
179.05612	3.0
195.41455	0.7
198.45224	0.8
226.48798	0.8
367.28214	0.9
467.29974	6.7
485.31195	6.7
527.32343	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	571.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10235	0.5
51.60397	0.4
57.03447	3.3
59.01374	8.5
61.98824	1.3
68.99785	0.5
69.03436	1.9
69.93420	2.2
71.01376	8.2
71.04996	1.2
72.99310	3.5
73.02923	0.6
75.00871	13.5
79.95749	4.0
80.96506	2.6
83.01356	1.0
85.02943	14.5
85.06525	0.5
87.00877	5.0
87.04507	42.9
88.04856	0.7
89.02431	2.1
91.61666	0.5
91.69724	0.5
94.98048	0.5
95.01373	3.5
96.96004	13.1
98.19946	0.9
99.00870	8.2
99.04498	2.4
103.00361	1.8
111.00871	1.5
113.01688	0.9
113.02443	15.6
115.00338	1.6
117.01910	2.1
127.43532	0.5
129.01898	1.4
138.97060	0.6
139.00398	0.8
175.02411	2.6
178.66629	0.5
179.14328	0.7
185.27039	0.5
191.14494	0.6
193.03462	1.0
238.98616	1.1
241.00253	1.0
248.00020	0.5
249.06136	0.9
251.16487	16.5
252.16887	0.7
256.99799	3.6
319.10168	1.7
319.13715	0.5
337.11340	6.4
393.36008	0.6
535.19666	0.6
553.26392	1.3
571.19476	9.0
571.27448	100.0
571.69464	5.0
572.19641	1.4
572.27661	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	571.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
60.30416	0.2
60.30721	0.1
60.58128	0.1
61.98823	0.4
71.01379	0.7
71.62592	0.2
72.99311	0.2
75.00874	0.4
79.95271	0.2
79.95737	3.4
80.96525	0.3
83.01360	0.3
85.02951	0.2
89.02448	0.3
95.95212	0.2
96.96004	88.9
101.02442	0.4
113.02441	0.3
140.10713	0.2
160.01704	0.1
161.04565	0.2
171.10258	0.4
201.11278	0.2
207.03236	0.4
220.84694	0.2
241.00238	0.6
343.12189	0.5
352.26358	0.2
450.39337	0.2
483.24207	1.7
484.24542	0.2
491.28763	0.5
509.25653	0.2
571.25732	100.0
572.26025	9.8
584.47961	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
60.54867	0.2
61.98814	0.4
65.00336	0.3
69.03448	0.3
69.48820	1.5
71.01370	2.8
72.84321	0.2
72.99283	0.6
73.02944	0.6
79.95721	4.4
79.96184	0.3
80.96507	3.8
83.01379	0.3
84.66167	0.2
85.02946	1.0
87.00854	1.1
89.02426	0.4
95.01363	0.3
95.95216	0.3
96.96001	100.0
97.02915	0.2
97.95948	0.2
98.95630	0.3
99.00870	0.6
100.74744	0.2
101.02443	1.3
107.31269	0.2
110.00081	0.8
113.02430	0.9
115.92091	0.3
122.97587	0.6
134.03723	0.4
136.98790	0.4
138.97055	10.1
141.09131	0.2
143.03433	0.5
143.07133	0.2
150.97104	1.1
152.17491	0.2
160.01630	0.2
161.02467	0.3
164.98581	1.1
165.99046	1.4
168.98105	0.9
180.98076	0.7
193.05051	0.4
199.03821	0.2
203.09229	0.4
222.99120	1.9
227.03362	0.4
230.05646	0.2
241.00200	82.3
242.00438	1.5
242.05835	0.2
244.03635	0.2
246.05620	0.2
256.99829	0.3
271.02362	0.6
281.00690	0.2
288.27438	0.2
290.74200	0.2
299.01984	0.5
313.03369	0.2
313.80945	0.2
314.04279	7.8
315.04761	0.4
329.06610	12.9
330.07196	0.4
356.05405	0.3
360.09888	0.6
401.08749	0.3
409.02374	0.2
473.10794	0.2
491.11911	1.6
524.46075	0.2
524.56506	0.3
531.65936	0.2
571.07501	14.4
571.23706	1.3
572.07721	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98218	0.5
55.01878	0.8
55.43358	0.4
57.03442	5.8
58.75510	0.5
59.01377	4.7
61.98817	0.7
62.56437	0.4
63.73352	0.4
67.01905	0.5
68.99812	1.8
69.03449	8.5
69.45601	3.0
71.01372	9.8
72.99299	6.1
73.02953	1.0
78.95869	0.5
79.95730	0.8
83.01383	3.2
83.05061	0.7
85.02943	21.1
86.20818	0.6
87.00870	6.7
87.04521	2.0
93.03466	2.4
94.14868	0.5
95.01373	1.0
96.96006	19.6
97.02937	12.8
97.06579	5.9
99.00872	4.8
101.02451	0.9
111.00848	2.8
113.02431	2.5
115.04004	3.4
120.99667	0.5
123.08143	2.4
125.09716	50.4
126.10050	1.0
129.01936	9.7
132.91209	0.5
137.02423	3.4
141.01939	5.4
143.10803	0.6
145.02954	2.2
150.03221	0.5
159.02995	1.3
159.74614	0.6
169.08633	1.2
187.09737	40.3
188.10136	0.9
191.05582	5.5
201.11229	0.9
209.06694	3.2
211.09758	1.6
222.99197	0.5
229.47003	0.5
322.75998	0.7
361.15167	0.7
368.09641	0.6
373.12839	1.2
379.16034	16.1
380.16473	0.7
477.19437	0.6
495.20764	0.9
521.18756	1.8
553.21301	9.0
553.29144	0.4
554.21234	0.7
571.22400	100.0
572.22705	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	571.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00579	2.2
59.01376	26.0
69.88835	1.6
69.89244	2.6
71.01382	17.3
72.99302	1.8
73.02922	2.0
78.49604	0.7
83.01401	1.3
83.65868	0.6
85.02946	4.7
87.00848	3.8
89.02433	16.6
91.23690	0.8
93.03461	2.2
95.01384	1.7
96.96000	4.6
98.20636	0.7
99.00861	0.8
100.27101	0.8
101.01787	0.9
101.02427	10.8
101.59479	0.6
108.02132	1.4
113.02446	8.2
119.03498	7.7
121.02942	5.0
122.03748	6.6
123.04520	1.3
129.01918	0.7
135.04562	2.0
136.01671	1.4
137.02437	0.9
143.03497	1.7
145.02992	3.4
146.03743	1.0
147.04546	0.8
149.02422	29.2
150.03212	70.9
151.03630	2.1
161.02426	3.0
161.04512	4.4
162.03177	4.8
163.04027	1.2
164.04788	12.6
165.05554	100.0
166.05907	2.3
177.05577	2.8
179.05635	4.3
180.04292	5.9
195.06607	30.6
196.06949	1.1
241.00320	1.3
266.05875	0.9
267.06332	0.9
285.07678	2.4
286.08444	5.3
301.10785	12.9
310.08554	1.1
313.10803	2.1
325.10669	2.0
327.10843	14.5
343.11765	3.1
344.12518	0.8
357.11697	1.7
360.13681	0.7
361.12875	26.0
362.13196	1.4
409.15036	2.8
523.18134	42.8
524.18951	3.4
571.20282	35.3
572.20715	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	570.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48146	0.6
51.46951	0.7
59.01375	3.9
61.98814	3.4
69.66022	0.7
69.87566	0.6
70.28436	1.4
70.28803	1.5
71.01370	3.0
79.95735	5.1
80.96500	1.9
85.02936	1.7
87.00858	1.0
89.02441	2.1
95.95211	3.0
96.96003	68.9
98.20829	0.6
101.02427	1.6
113.02454	1.0
120.01244	42.6
122.97552	0.9
135.04536	1.1
138.97028	3.3
150.97043	1.4
165.05641	0.9
167.03566	1.0
175.03960	0.7
177.03961	0.8
180.98129	1.4
195.06737	0.8
198.99155	1.0
241.00217	7.1
256.99756	2.0
259.01163	1.0
313.39389	0.7
330.06714	0.8
423.13113	4.0
449.14871	6.6
483.13586	26.1
484.13910	2.2
490.21228	2.0
509.15289	2.1
570.16766	100.0
571.17444	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	569.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16142	0.3
55.01856	0.8
57.03440	1.3
58.00576	0.8
59.01371	22.0
64.65451	0.4
67.01882	0.6
67.38408	0.4
68.99802	0.7
69.03430	0.5
71.01374	18.7
71.62684	0.4
72.99300	4.4
73.02920	1.6
75.00863	9.2
81.03423	0.4
83.01357	1.3
84.02150	0.4
85.02940	12.6
87.00862	3.5
89.02432	9.1
93.03481	0.3
95.01372	3.2
96.96014	2.2
97.02899	0.3
99.00860	6.1
101.01761	0.5
101.02429	7.6
102.63475	0.3
103.00339	1.3
108.00172	0.4
108.02148	1.4
111.00904	0.4
113.02438	14.7
114.07186	0.3
115.00349	1.1
117.01928	1.7
119.03504	3.4
120.01223	0.3
123.04478	1.0
129.01926	1.7
135.04472	0.5
139.07635	5.7
145.01361	0.5
150.03204	0.6
151.03918	0.5
157.01385	1.0
157.08670	1.1
165.05489	0.4
175.02419	1.4
175.03880	0.5
178.02766	0.4
193.05141	0.6
205.05164	0.5
224.33943	0.3
231.05049	0.8
239.82664	0.4
249.06136	5.8
267.07120	1.1
301.12915	0.5
319.13956	6.4
491.15601	0.5
539.17548	1.3
551.19165	1.8
569.20764	100.0
570.21411	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	569.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.0
68.99818	5.0
71.01373	15.4
71.62022	2.4
81.03451	4.8
85.02917	3.1
87.00848	2.4
89.02437	12.6
95.01344	3.7
96.96014	15.9
101.02430	12.0
101.06070	3.4
108.02163	20.6
109.02940	7.9
113.02425	6.2
119.03458	3.5
120.99309	2.7
121.02954	4.1
122.00092	5.4
122.03690	2.3
123.00877	3.1
123.04521	15.3
129.01935	3.9
130.08720	12.9
131.09087	3.8
134.03682	2.8
135.04489	7.0
136.01627	5.7
137.02457	34.9
138.03192	2.9
147.04454	3.8
148.01651	4.5
149.02409	10.0
150.03214	30.7
151.04019	11.0
152.01123	7.2
153.01880	5.1
153.05579	3.9
155.03464	9.4
160.01601	2.2
161.02385	3.6
162.03181	7.8
163.03955	5.6
163.11261	23.1
164.04781	6.5
165.05547	41.0
167.03493	13.0
172.09766	11.0
173.10048	3.9
175.03949	2.2
177.05537	10.1
178.02731	21.2
179.03372	4.2
181.01425	36.9
189.76849	2.1
190.02573	2.4
193.05109	21.0
195.06546	5.2
205.05103	5.0
225.11154	2.8
235.05978	2.0
263.46082	2.3
287.09149	3.3
310.11145	2.1
312.71783	2.9
351.13049	2.6
352.13477	2.3
359.11304	2.6
377.12396	6.5
387.16571	100.0
388.17169	4.0
392.18686	2.4
539.17633	44.4
540.17267	3.9
551.17810	8.8
569.18658	86.8
570.19122	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	567.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03438	3.5
58.00586	1.0
59.01374	19.0
61.98812	1.1
67.01878	0.6
68.99809	1.1
69.03451	3.5
70.20274	1.7
71.01379	16.9
72.99310	4.8
73.02947	1.4
74.99051	0.4
79.95731	1.3
80.96491	0.4
83.01377	2.8
84.29438	0.3
85.02946	16.8
87.00865	5.6
87.04512	1.5
88.98811	0.9
89.02442	10.3
92.32965	0.4
95.01375	1.5
95.95198	0.6
96.96006	5.4
97.02944	5.6
98.19878	0.5
99.00862	3.6
99.04527	0.3
101.02439	8.9
104.76669	0.3
109.02927	0.4
111.00888	2.0
113.02433	5.5
115.04002	3.0
119.03477	3.5
125.02422	0.4
129.01941	7.3
129.97742	0.4
129.98787	0.4
132.10651	0.4
134.03716	0.5
135.04507	0.4
137.02449	0.4
141.01930	2.1
151.03911	0.4
158.83582	0.3
159.02962	1.0
183.13805	0.7
191.05641	4.7
193.05017	0.8
195.13867	6.8
209.06682	1.8
213.14932	3.2
227.57117	0.4
241.00293	0.5
256.99643	0.8
260.04337	0.3
280.60016	0.3
302.31345	0.5
308.94785	0.4
357.19083	1.1
360.09698	0.4
375.20193	18.6
376.20511	1.0
385.11380	0.6
517.22687	4.0
523.18390	0.6
567.26599	100.0
568.19025	0.7
568.26965	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	567.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
58.00590	1.6
59.01376	38.3
61.25127	0.7
61.98826	0.8
69.72259	1.3
69.72678	3.5
71.01381	34.2
72.99317	1.5
73.02958	3.2
74.02460	1.3
83.01378	1.4
85.02950	9.1
87.00868	2.0
89.02442	34.5
93.03458	4.3
95.01379	3.0
96.95997	5.6
99.00885	1.8
101.02442	17.9
108.02167	0.9
111.08169	3.3
113.02445	12.1
113.48183	0.7
119.03495	12.2
121.02974	6.0
122.03734	12.5
127.05920	1.0
131.03485	1.6
133.02972	1.3
133.88693	0.6
135.04585	0.8
137.02460	3.4
143.03514	2.7
145.06955	0.8
145.91797	0.7
146.03714	0.8
148.51064	0.8
149.02435	37.3
149.06120	0.9
150.03221	100.0
151.03682	2.9
153.05441	0.7
157.41951	0.7
159.02975	0.9
161.02455	1.4
161.04555	9.7
161.05913	1.3
163.03931	1.4
164.04797	10.9
165.05557	96.9
166.05887	3.2
173.08200	6.3
179.03415	1.1
179.03970	1.2
179.05595	12.4
180.04303	7.6
193.08629	1.4
194.05856	1.3
195.06613	69.5
196.06905	1.7
203.08287	1.1
209.08170	7.4
245.09383	3.2
295.06113	0.8
305.80527	0.8
342.11023	5.3
357.13403	65.4
358.13843	4.1
387.23624	0.9
405.15491	6.4
406.15799	0.9
423.57080	0.7
519.18921	3.4
554.29456	0.7
567.20831	22.8
568.21252	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	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.00602	0.9
59.01375	22.6
61.98825	3.3
70.13622	2.2
71.01379	19.0
71.01761	1.2
72.99303	1.6
73.02941	1.3
75.00888	0.7
79.95744	1.7
83.01390	1.7
85.02944	4.7
87.00877	1.6
88.98793	0.8
89.02438	23.7
93.03461	3.7
94.29014	0.6
95.01381	1.6
96.95998	7.4
97.02952	0.6
98.95600	0.8
99.00897	0.8
101.02436	9.9
110.60296	0.6
113.02438	9.4
116.92840	0.6
119.03496	10.3
121.02921	3.5
122.03740	11.3
125.02460	0.7
131.03497	1.7
133.02966	1.9
134.03754	1.4
135.04472	1.0
136.01665	1.6
137.02464	2.9
143.03497	2.1
149.02425	19.0
149.04431	1.0
150.03214	90.4
151.03568	3.3
161.04514	3.3
164.04799	4.5
165.05554	100.0
166.05942	3.3
175.03949	0.7
179.05595	8.3
180.04279	5.2
181.04741	0.6
193.05051	0.7
194.05658	0.6
195.06599	86.3
195.65837	0.6
196.06935	1.8
209.06496	0.7
209.08205	4.5
238.69009	0.6
241.00139	1.1
246.82986	0.5
257.65762	0.6
257.68204	0.6
317.09186	0.6
342.10995	1.0
357.13354	10.1
405.15353	3.0
519.18506	1.1
535.15454	0.8
567.20862	10.4
568.21063	0.6
573.05829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98825	100.0
64.43218	0.1
70.66838	0.1
70.94906	0.1
71.01383	0.5
71.62955	0.2
75.00851	0.2
85.02967	0.3
89.02444	0.3
92.45400	0.1
96.95988	0.9
99.00891	0.1
101.02435	0.3
103.82580	0.2
113.02450	0.1
134.03769	0.2
161.02419	0.2
194.05409	0.2
241.00308	0.2
316.16449	0.4
317.16623	0.2
318.16727	0.3
334.75098	0.1
451.48056	0.2
469.95386	0.2
486.97723	0.1
506.26199	0.2
507.24768	0.2
566.25720	0.2
567.20947	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.2
59.01374	11.2
60.01711	1.3
61.01805	1.2
61.98824	100.0
69.52709	0.4
69.53124	1.0
71.01375	0.8
72.99294	0.4
73.02954	0.3
75.00869	1.0
80.37102	0.2
85.02954	0.9
87.00901	0.2
89.02432	0.6
94.46117	0.2
96.96024	0.8
97.02863	0.2
98.19864	0.3
101.02443	0.4
102.16919	0.2
113.02457	0.4
117.01966	0.2
119.03499	0.2
161.04553	0.2
193.05077	0.2
273.81390	0.2
319.67526	0.2
403.69247	0.3
506.32361	1.9
506.93228	0.2
566.20917	0.3
566.33820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87848	2.0
54.22885	2.1
59.01385	13.9
61.98831	5.1
68.50578	1.9
69.30495	12.0
69.30928	7.0
71.01380	16.3
72.99271	2.3
73.02952	3.2
75.00865	4.9
78.95895	2.6
83.01371	9.3
85.02926	3.7
85.07529	2.1
87.00883	19.6
88.98788	3.5
89.02430	4.4
93.03394	3.2
96.96016	18.9
99.00862	4.2
100.25445	2.0
101.02419	5.1
109.02950	15.6
111.00888	15.4
113.02454	5.3
113.54912	2.2
113.99570	6.1
114.27797	2.6
114.99644	4.0
115.00372	51.6
124.01633	3.8
125.02560	2.4
126.43521	2.3
128.01117	2.8
133.02954	5.4
134.03697	2.4
135.04523	11.0
137.02437	4.2
139.00383	18.9
139.03998	5.7
143.18591	2.1
149.02426	7.5
149.06053	3.6
150.03125	3.8
151.04092	2.2
155.03496	3.2
156.00612	14.1
157.01422	35.6
161.02473	10.8
163.03941	5.8
174.01723	23.0
174.03117	4.1
175.02470	52.9
175.03908	2.3
177.01932	5.2
179.03471	2.6
190.02684	2.5
191.03423	9.2
193.05046	41.9
195.06596	3.4
201.01871	3.7
203.03494	3.0
205.01463	2.8
205.05093	3.9
206.02190	5.6
207.06660	18.3
209.06546	3.1
215.03452	2.9
219.06570	6.2
223.06041	5.2
231.06535	4.1
233.04530	33.0
234.05324	14.6
235.06038	3.2
247.06042	4.9
251.05548	8.0
257.04626	2.3
269.88754	2.4
275.05569	6.5
279.05310	3.9
279.08786	5.0
279.98776	2.2
289.07083	9.0
307.08203	100.0
308.08466	5.8
309.06085	6.5
343.10385	2.4
413.11066	4.1
451.12384	9.3
469.13467	79.0
470.13577	8.2
471.11343	27.4
495.11478	7.5
507.12073	3.8
513.05188	4.0
513.12421	53.0
514.12225	5.0
531.13666	7.6
567.10431	4.0
574.81885	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	565.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87863	0.7
57.03427	1.8
59.01376	22.8
69.03448	0.9
69.31074	0.7
69.31435	5.5
69.31874	2.0
69.32188	1.2
71.01373	6.1
72.99292	2.1
73.02923	0.8
75.00872	0.9
76.96999	1.1
79.95732	29.2
80.96511	20.5
82.08990	0.8
83.01382	2.3
85.02956	3.3
87.00875	4.4
94.98086	1.2
95.01391	1.1
95.95222	2.4
96.96003	100.0
97.02966	0.9
99.00881	3.2
99.04512	2.0
100.82825	0.8
101.02446	1.4
103.00354	1.1
111.00877	10.5
113.02528	1.4
115.00370	2.1
120.96021	5.6
123.00844	1.1
127.00372	0.9
129.01950	4.6
136.95467	1.6
137.96240	1.2
138.97067	9.9
141.01941	2.9
148.99179	1.2
150.97029	1.7
154.96619	1.5
159.02977	2.2
170.37451	0.9
177.04163	0.8
182.96060	0.8
192.98071	2.0
201.04051	2.9
210.99100	0.9
220.97647	1.5
238.98639	9.1
241.00226	5.8
256.99716	14.0
280.99695	10.3
283.01239	8.5
299.00769	29.3
300.01089	0.8
342.99713	2.3
479.19437	9.2
486.10291	0.8
521.20563	84.9
522.20959	6.6
551.76367	0.9
565.19489	62.8
566.19617	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	565.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08230	0.7
54.57591	0.7
59.01371	8.4
61.98829	3.4
69.39337	6.0
71.01372	6.9
72.99292	0.9
73.02960	0.8
79.95736	2.1
83.01421	0.8
85.02963	2.4
87.00885	1.0
89.02428	6.5
96.96000	60.0
98.19888	1.2
98.66459	0.8
100.48393	0.7
101.02439	3.1
103.59491	0.7
103.86978	0.7
108.02174	1.6
109.02937	6.2
111.84968	0.7
112.02634	0.7
113.02447	2.1
119.03526	2.2
121.02917	1.1
123.00888	2.1
123.04507	1.0
129.03487	1.0
134.03760	1.2
135.04530	1.7
136.01642	1.4
137.02432	3.8
138.03226	2.6
139.04010	1.1
143.03355	0.8
145.02928	1.5
146.03741	2.3
147.04503	33.4
148.05206	2.4
149.02412	2.5
149.06104	1.2
150.03206	5.6
151.04004	6.1
152.04756	1.7
152.07178	0.7
153.05559	1.6
158.03725	4.0
159.04506	12.1
160.05280	24.4
161.02454	2.3
161.06059	6.0
162.03255	6.4
162.06833	1.6
163.04015	5.8
164.04773	14.3
166.06349	1.5
167.07169	0.8
168.04253	2.3
173.02422	3.2
173.06039	4.9
174.03247	1.1
175.04012	1.6
175.07608	20.8
176.04791	2.2
176.07961	1.1
177.01942	0.9
177.05540	12.2
178.06319	5.8
179.03529	0.8
179.05597	0.9
188.04767	1.6
189.05457	0.8
191.07086	2.3
192.07924	2.4
193.05016	2.1
193.08665	1.8
194.05896	1.2
208.03867	0.8
209.06645	1.9
253.64920	0.8
255.06541	1.5
265.04904	1.7
266.05737	1.2
267.06577	3.3
281.08340	1.1
282.09006	3.2
283.06113	12.2
283.09164	1.3
297.07700	3.0
298.08426	11.2
299.09155	1.7
312.09973	1.6
313.10767	28.4
314.11374	2.9
327.12439	3.2
328.13025	8.0
329.10651	0.8
329.14096	5.1
344.12714	1.6
359.14951	100.0
360.15375	7.1
373.18671	0.9
403.13950	26.8
404.14090	1.4
565.19147	54.2
566.19403	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	563.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.3
57.03430	2.9
59.01374	18.9
69.03454	1.1
69.34830	7.0
71.01379	18.8
72.99297	1.4
73.02940	11.1
83.01384	2.4
85.02951	5.8
87.00858	1.4
89.02439	8.0
93.03445	3.0
95.01363	1.5
96.96008	2.1
97.02907	0.9
99.00872	3.0
101.02438	14.9
106.04219	4.5
108.02135	0.8
113.02461	8.0
119.03469	1.0
119.04986	0.9
121.02881	1.1
121.06578	2.4
123.04533	1.1
125.02446	1.0
129.01898	1.1
131.03488	1.8
131.04990	1.3
134.03717	0.8
143.03372	1.0
147.04524	3.7
147.08148	7.1
149.04799	1.2
149.06067	14.2
152.01585	0.8
159.02907	1.5
160.05299	1.7
160.23441	0.7
161.04544	5.1
161.05864	1.0
163.07629	2.2
172.88855	0.8
189.05507	1.8
190.06363	1.8
205.08588	1.3
209.15411	1.5
296.10336	1.1
315.15985	100.0
316.16373	5.9
341.13959	6.3
353.10422	0.9
371.20615	3.8
423.47934	0.8
459.20285	1.3
477.21747	0.8
503.19351	2.3
503.25018	41.0
504.25189	3.0
519.22437	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	563.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41530	0.3
59.01374	100.0
60.01706	0.4
61.98811	0.4
71.01371	2.1
72.99310	1.4
73.02960	0.4
75.00869	2.5
83.01390	0.3
85.02940	2.3
85.20127	0.3
86.03290	0.3
89.02428	1.6
96.95981	1.4
98.20644	0.6
101.02436	1.4
102.43987	0.3
113.02431	1.1
115.00440	0.4
119.03553	0.5
123.08172	0.8
125.02436	0.4
141.66980	0.3
142.73203	0.3
181.04764	0.3
241.54794	0.3
254.00771	0.3
313.28812	0.3
322.17966	1.0
325.18015	0.3
343.19034	1.8
361.20157	9.5
362.20428	0.5
376.85355	0.4
380.18527	1.0
387.16721	0.8
402.17862	0.5
403.20416	0.8
461.21045	1.5
469.33481	0.8
483.21173	0.8
485.29422	0.5
497.33224	0.3
503.30255	7.3
504.31152	0.5
563.31915	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.2
59.01374	100.0
60.01708	0.7
61.54211	0.1
66.43085	0.1
69.88393	0.5
69.88828	0.2
71.01372	1.5
72.01722	0.2
72.99296	1.0
73.02939	0.3
74.78002	0.1
75.00869	1.9
79.95736	0.2
85.02952	1.3
89.02444	0.8
94.98402	0.1
95.01402	0.2
96.96022	0.5
99.00896	0.2
101.02419	0.8
113.02464	0.5
119.03540	0.2
123.08176	0.4
125.02541	0.2
129.02031	0.1
138.04892	0.2
141.09186	0.2
159.23138	0.1
161.04584	0.2
166.97610	0.2
221.06757	0.2
239.02209	0.2
249.14798	0.2
255.13960	0.2
268.17914	0.2
273.15039	0.2
312.19604	0.1
322.17886	0.2
343.19125	0.8
361.20126	3.6
362.20511	0.4
380.19147	0.1
387.16708	0.6
401.24789	0.2
403.20447	0.9
432.20639	0.2
436.90662	0.2
461.20877	1.2
469.33331	0.4
483.20392	0.8
485.29477	0.3
503.30151	3.7
504.31088	0.3
521.33722	0.2
563.31799	4.1
564.32123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.2
59.01373	21.0
61.36946	0.8
62.18926	0.7
66.28687	0.8
69.03449	1.0
69.29305	7.6
71.01376	6.5
72.89230	0.8
72.99300	1.4
73.02947	0.7
75.00871	1.8
79.95731	37.0
80.36638	0.7
80.96509	21.6
81.95317	1.0
83.01394	2.9
84.19171	0.7
85.02950	2.5
87.00870	4.2
89.02433	1.3
94.98048	1.3
95.01427	1.1
95.17129	0.7
95.95219	8.1
96.96003	100.0
97.02921	1.3
98.20652	1.5
98.95557	1.2
99.00874	2.5
99.04543	1.6
101.02428	2.2
103.00375	1.0
111.00870	12.3
112.01170	1.0
113.02456	2.6
115.00361	1.5
115.60894	0.7
120.96009	4.4
122.97562	1.7
127.00298	1.0
129.01939	7.2
136.95520	1.1
138.97063	8.9
141.01869	1.6
150.97063	2.7
153.01891	1.1
154.96506	0.9
159.02914	2.2
166.96512	1.2
167.74022	0.8
167.83411	0.7
177.04079	2.0
192.98056	1.3
201.04030	1.6
210.99019	1.0
220.97499	1.3
225.00780	0.9
235.16876	0.8
238.98659	8.8
241.00281	6.1
253.00218	1.7
256.99695	18.6
280.99701	7.6
283.01208	6.1
299.00742	20.9
342.99631	1.5
375.20160	1.3
377.58466	0.7
380.48166	0.8
477.17847	8.4
516.61853	1.0
519.18982	65.8
520.19409	4.9
521.71844	1.4
522.72095	3.7
523.22046	2.0
553.68951	0.9
562.69739	1.7
563.17883	28.8
563.25360	35.9
564.17712	1.6
564.25714	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	563.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53244	0.5
53.59414	0.5
58.00584	0.9
59.01377	36.5
66.78931	0.6
69.49411	1.8
69.49835	2.6
71.01380	16.7
72.99297	1.8
73.02941	0.8
82.17024	0.5
83.01379	1.4
84.49448	0.6
85.02957	2.7
85.85237	0.5
87.00851	1.3
89.02441	24.1
95.01356	1.0
96.17742	0.6
98.19871	1.2
101.02438	15.9
110.85133	0.5
113.02439	8.6
119.03490	9.4
123.04523	0.8
126.06077	0.6
135.04517	42.5
143.03503	0.7
153.05588	1.6
159.12630	0.7
161.04524	0.7
172.77977	0.7
179.05573	1.3
200.86847	0.6
315.10818	100.0
316.11203	4.0
357.11783	2.0
459.14984	1.3
519.17096	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	563.1762
Annotation	Cascaroside C
Peak:m/z	Relative Intensity
54.20211	0.8
55.01862	1.5
57.03445	17.5
57.89581	0.9
59.01367	12.8
61.98822	7.0
64.94070	0.9
67.01867	2.9
68.99795	4.1
69.03446	9.0
70.21924	0.8
71.01376	21.8
71.22807	1.0
71.62796	1.4
72.99307	9.2
73.02933	3.2
74.07430	0.8
79.95729	1.5
80.96507	1.3
83.01373	7.9
84.02148	2.0
85.02943	51.6
87.00869	15.7
87.04498	4.1
88.98788	2.0
89.02436	4.3
92.09563	1.0
96.95998	9.0
97.02947	15.9
99.00873	12.5
101.02409	2.6
107.51422	1.0
111.00864	7.4
113.02425	4.1
115.03998	7.9
121.02934	3.0
123.04541	1.3
129.01933	41.7
134.03728	1.4
141.01933	9.0
145.02911	1.6
147.04443	2.6
148.05251	2.9
149.06006	1.2
157.13161	0.9
159.02997	8.5
174.03172	2.7
191.03648	2.0
191.05579	25.4
191.07109	2.7
192.04243	1.0
193.04895	1.3
195.08261	1.0
207.08189	1.0
209.06638	100.0
210.06931	2.0
221.06145	1.4
222.06834	1.3
223.07614	1.3
229.04913	1.6
235.06012	2.8
237.05511	2.3
239.07025	4.7
249.05476	3.2
250.06281	3.0
251.07082	8.2
252.07809	1.1
261.05573	1.8
262.06354	2.4
263.07056	6.2
264.07806	4.2
265.04852	1.4
265.08514	1.5
266.05750	1.2
267.06598	21.0
268.07236	1.8
277.05194	1.4
277.08487	1.6
278.05759	1.8
279.06525	13.6
279.09995	2.4
280.07120	3.2
282.08957	11.8
283.09637	1.9
294.05225	4.8
294.08887	6.6
295.06085	5.6
295.09027	1.4
297.11249	4.7
305.04498	1.0
307.05960	3.1
308.06708	3.3
309.07816	6.7
310.08279	2.3
311.05493	0.9
321.07376	2.2
322.08258	5.6
323.05481	11.4
323.09189	4.3
324.06131	1.9
326.08011	4.3
327.08624	1.4
338.07916	15.1
339.08673	6.8
341.10239	23.9
353.10260	58.1
354.10629	3.2
371.11386	12.3
372.11493	1.2
427.12369	3.4
481.11435	1.8
495.13129	1.3
513.13861	2.8
533.16583	27.0
534.17175	2.2
545.16644	31.3
546.16882	3.8
563.17535	91.5
563.31097	4.1
564.18066	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	563.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.3
57.03442	4.4
59.01378	4.6
61.98828	6.9
67.01881	0.8
68.99828	0.9
69.03439	0.9
69.49854	6.3
71.01378	5.1
72.99313	1.6
73.02938	0.8
83.01395	1.2
85.02953	12.8
87.00870	4.5
89.02456	1.9
91.01915	0.7
96.95988	1.1
97.02947	2.6
97.42030	0.7
99.00890	2.5
101.02420	0.8
108.02133	2.0
109.02943	10.5
111.00877	0.8
113.82607	0.8
115.04021	0.9
119.05025	1.2
121.02921	2.8
122.03710	2.0
129.01945	7.5
129.03468	3.0
136.90622	0.8
141.01942	1.8
145.02936	6.1
146.03731	31.9
147.04507	27.4
158.03734	7.7
159.03091	1.5
159.04483	9.4
160.05197	1.5
161.06070	4.9
173.06113	2.1
174.69122	0.8
175.03958	0.7
191.05638	2.0
203.03564	0.9
209.06650	23.4
222.06943	0.8
223.04068	0.9
229.01350	6.2
237.05516	1.2
238.06198	1.3
239.06987	1.0
248.04829	1.4
249.05609	2.7
252.04253	1.2
265.05069	8.5
266.05817	23.0
267.06573	13.1
268.07343	10.4
276.04355	0.9
277.05081	1.8
281.08170	17.0
283.09729	26.1
284.10330	1.5
293.04501	3.7
294.05289	8.6
306.80148	0.8
309.07635	11.1
327.08704	9.5
329.14011	1.5
338.04526	1.1
353.06619	100.0
354.06961	6.9
371.07614	10.4
458.21613	0.9
469.10947	1.0
513.10413	1.1
519.14929	6.6
563.14075	29.9
563.23145	3.6
564.14685	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	563.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65384	0.7
55.01900	1.6
56.43758	0.8
57.03447	5.0
59.01373	13.7
61.98847	3.0
62.90366	0.7
68.99855	1.2
69.03485	2.4
71.01377	17.0
71.17776	1.4
72.99344	2.3
73.02937	7.2
79.95733	1.6
83.01424	3.2
85.02945	18.3
87.00877	6.3
88.98835	3.0
89.02444	8.0
91.01921	1.3
93.03482	1.5
95.01394	1.0
96.00891	1.0
96.96015	7.8
97.02945	5.7
99.00864	5.7
101.02431	9.1
106.04211	1.1
108.02172	1.7
109.02935	9.4
111.00922	2.8
113.02428	4.3
115.00431	1.0
115.04019	1.1
117.03510	0.8
118.47388	0.7
119.03527	1.8
119.05079	1.2
121.02981	3.3
121.06670	1.2
122.03731	1.6
123.04588	2.1
125.02483	1.0
129.01924	9.5
129.03419	3.6
130.04300	0.7
133.02979	1.2
134.03772	1.8
137.02441	1.1
141.01955	2.1
145.02962	7.0
146.03723	34.3
147.04514	32.1
147.08176	2.1
149.04599	1.5
149.06006	4.4
150.03223	1.4
153.02020	0.8
157.02835	0.8
158.03712	6.8
159.03038	2.7
159.04535	12.0
160.01706	1.0
161.02461	2.0
161.04604	2.3
161.06099	5.7
173.06096	2.2
175.03970	1.8
185.02454	0.8
191.05647	3.0
193.04951	0.9
203.03583	1.2
209.06635	27.4
209.08556	1.5
209.15361	1.0
210.07043	0.9
229.01311	7.2
237.05583	2.1
238.06436	1.5
240.04344	1.1
248.04732	0.9
249.03615	1.2
249.05659	2.9
250.06190	2.1
252.04353	1.1
257.07932	1.0
265.05045	7.0
266.05792	25.5
267.06522	13.0
268.07370	12.1
269.07794	1.1
271.09799	1.1
272.09995	1.3
276.04065	0.9
277.05054	2.3
281.08167	16.8
282.08755	1.1
283.09720	35.1
284.09903	2.0
293.04581	3.8
294.05252	8.7
309.07703	10.9
310.07794	0.9
315.15973	29.0
316.16205	1.0
318.49423	0.8
325.06885	0.8
327.08676	9.5
328.08969	0.9
338.04236	2.0
341.13718	1.1
353.06604	100.0
354.06979	5.8
371.07642	14.4
371.20618	2.6
441.10226	1.1
451.16315	0.7
469.10989	1.0
503.24945	30.7
503.32382	1.8
519.15259	5.7
519.22168	1.3
520.15125	1.0
562.25824	2.8
563.13879	27.9
563.23798	3.6
564.14111	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	562.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
60.13709	0.3
61.98825	1.2
71.62058	0.6
73.68841	0.3
78.95898	8.6
79.14027	0.3
85.06599	2.5
90.26563	0.4
96.95988	0.5
122.00188	0.4
130.42105	0.3
140.01176	3.3
142.16602	0.3
152.99596	1.2
178.95590	0.4
196.03773	1.7
214.04863	4.4
228.67903	0.3
261.18564	1.2
279.19623	19.8
280.20084	1.1
347.25854	6.3
363.25421	1.1
365.26917	100.0
366.27264	7.5
462.95233	0.4
503.73141	0.4
534.12408	0.4
562.31439	31.0
563.31812	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	561.2909
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01874	3.5
57.03444	3.1
58.00579	1.4
59.01375	54.3
69.75495	2.4
71.01376	46.7
72.99303	2.6
73.02937	8.0
75.00860	0.9
83.01383	5.9
85.02944	18.7
87.00878	3.0
89.02440	27.2
95.01389	3.7
95.82903	0.4
96.96016	1.0
97.02965	1.2
99.00875	4.3
101.02438	27.0
110.37273	0.4
111.00882	2.4
113.02445	16.6
119.03502	12.6
125.02435	0.8
129.01910	4.0
131.03477	0.8
134.03798	0.5
143.03490	1.9
149.04512	0.6
159.03003	1.8
160.87886	0.4
161.04559	6.5
171.66025	0.4
175.04012	0.4
179.05602	3.2
193.05124	0.6
206.20132	0.4
209.06610	0.5
219.41093	0.4
399.23807	14.9
400.24164	0.5
461.09467	0.4
501.30618	1.0
561.29102	100.0
562.29358	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	561.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45786	1.2
57.03445	10.5
59.01374	9.3
61.98820	1.9
69.03456	2.4
69.59964	8.5
71.01369	3.8
73.02919	1.9
79.95693	1.8
83.05022	5.6
85.02936	2.6
87.00846	2.0
87.04514	1.7
89.02449	2.7
93.03390	1.8
96.10445	1.4
96.96012	31.8
97.02977	1.9
98.20637	2.7
99.00854	2.3
101.02447	3.0
103.03988	1.7
107.05013	2.2
113.02433	2.5
118.13631	1.4
119.05050	2.7
129.01964	2.7
134.03748	7.7
134.10329	1.2
149.06076	100.0
150.03220	2.0
150.06435	2.7
151.04025	1.6
160.01620	2.3
163.07668	17.4
175.03918	3.2
189.09178	3.3
193.05055	7.6
207.10272	2.3
209.06567	2.1
216.80884	1.3
224.36324	1.3
257.38269	1.5
313.14417	83.9
314.14651	6.0
360.09674	3.5
367.10266	3.0
385.10959	1.8
561.28412	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	561.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43116	0.5
54.11375	0.5
55.01880	1.6
57.03442	5.1
57.66853	0.6
59.01374	11.0
60.32981	0.5
64.33573	0.6
68.99825	2.6
69.03457	3.3
71.01376	13.6
72.98975	0.5
72.99300	3.3
73.02956	1.3
75.00875	0.6
83.01387	3.5
84.02159	0.7
84.93215	0.6
85.02948	14.9
87.00874	6.4
87.04520	0.9
89.02435	4.6
89.03984	2.0
95.01378	0.7
96.95982	1.8
97.02952	4.5
98.20633	1.7
99.00863	4.1
101.02434	3.9
108.02189	0.6
111.00893	2.9
113.02443	3.4
115.03991	1.8
117.03463	8.2
119.03494	1.5
123.00877	0.7
123.04475	1.4
129.01935	10.1
131.76614	0.5
132.02164	5.4
133.02956	1.7
134.03729	100.0
135.04102	2.1
137.02417	1.5
139.04031	0.7
141.01930	2.7
147.04517	0.7
147.06509	0.5
149.06068	19.0
159.02969	2.9
160.01646	25.2
160.05223	0.6
161.02139	0.8
161.04529	1.2
173.04556	0.8
175.03987	26.2
176.04639	1.7
177.01785	0.6
177.04196	0.6
178.02687	3.4
185.06088	0.6
186.06927	0.8
188.04720	0.8
191.05592	6.1
191.07147	1.4
193.05035	76.2
194.05408	1.7
209.06644	23.3
209.88541	0.5
210.07039	0.7
214.06242	0.8
217.08736	2.1
229.50909	0.7
233.08205	3.6
235.06154	2.9
247.06027	1.4
261.07666	2.1
263.09323	0.8
272.05835	0.7
275.05573	2.1
291.08701	1.0
335.07739	4.0
352.08011	0.7
367.10297	48.1
368.10703	2.0
385.11353	69.2
386.11594	2.8
399.23727	2.2
413.22137	0.7
501.30484	2.4
519.31567	1.0
561.29175	16.2
562.29407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01379	11.9
60.02281	0.6
61.98820	0.8
69.03426	0.6
69.32678	6.2
71.01378	7.1
72.99303	1.1
73.02943	2.2
79.95742	0.8
83.01387	1.0
83.96123	0.7
85.02940	5.7
87.00862	2.1
88.98792	0.8
89.02444	5.6
93.03471	1.1
95.01373	1.4
96.96011	6.6
97.02914	1.1
99.00863	1.9
101.02438	4.6
101.06075	19.4
108.02168	43.8
109.02956	20.4
111.00880	0.9
113.02441	2.5
121.02963	1.4
123.00877	0.9
123.04472	1.6
125.02430	1.2
129.01955	2.3
133.02931	0.8
134.03751	3.4
134.04614	0.7
135.04514	2.0
136.04842	0.8
143.03479	0.7
148.05269	1.3
149.04494	1.9
149.05557	0.6
151.03987	2.1
152.01146	66.0
153.01936	16.9
161.02411	1.1
161.04498	0.9
165.01933	1.2
175.03993	3.3
178.05096	0.8
179.05571	0.9
191.05457	1.3
193.05046	4.0
195.02982	0.9
209.06625	9.1
241.04834	0.9
263.07123	0.8
271.09766	1.0
277.05478	0.7
281.08185	1.2
297.07584	2.6
308.48813	0.7
309.07611	3.1
309.11292	2.8
309.17490	0.6
312.09558	1.4
312.12582	2.1
313.12756	4.0
324.09927	2.1
327.12341	7.6
339.12317	6.2
367.10361	1.9
385.11368	3.7
459.11194	0.9
460.47961	0.8
537.51752	0.7
561.18164	100.0
562.18408	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	560.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69309	0.8
59.01371	11.0
61.98811	2.3
69.03435	1.3
71.01384	6.8
71.62830	1.2
72.99302	1.1
73.02946	2.8
79.95731	1.2
83.01366	1.3
85.02942	3.1
88.37074	0.9
89.02426	6.6
96.96007	11.1
97.02949	2.0
99.00871	4.9
101.02450	2.3
113.02448	4.8
115.03968	1.1
119.03515	2.1
128.03511	1.0
129.01947	3.3
133.05360	1.5
134.03755	5.3
135.04543	10.2
137.02403	0.9
147.04561	2.1
148.05307	34.0
149.04565	2.6
149.05928	2.6
161.04553	0.9
175.03938	1.3
176.03491	3.3
177.04292	1.4
178.05081	23.1
190.05118	8.7
191.05579	3.5
193.05064	2.4
200.14102	0.9
213.05643	1.2
214.79153	0.8
241.00371	1.6
241.05067	9.0
251.34869	0.9
253.08696	1.3
256.07419	7.1
271.09732	19.1
272.10043	1.1
297.10065	12.0
298.10553	1.3
312.12393	100.0
313.12775	4.9
385.11414	1.0
415.11917	0.9
456.16727	1.5
516.18768	3.6
537.99286	0.9
542.41907	1.0
560.27368	2.6
561.25616	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	561.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03442	3.9
59.01363	5.1
67.01892	0.8
68.99817	1.9
69.03452	4.6
71.01382	8.0
71.63340	0.9
72.99299	5.3
75.00871	1.3
79.01875	1.7
79.95730	1.8
82.97007	0.5
83.01382	2.9
84.02157	1.0
85.02940	18.9
85.03447	1.2
85.45228	0.6
87.00865	6.9
87.04509	1.7
89.02465	1.4
89.03968	2.2
95.01333	0.6
96.96001	8.4
97.02935	5.8
98.95655	0.5
99.00881	3.9
101.02436	1.1
111.00866	3.2
113.01764	0.5
113.02445	3.1
115.04000	2.2
117.03438	8.5
123.00836	0.7
129.01929	14.2
132.02136	2.7
133.02951	1.3
134.03726	94.4
135.04410	1.9
137.02440	1.8
141.01945	3.6
149.06070	9.7
155.03526	2.5
159.02972	3.6
160.01659	12.1
161.02444	1.2
173.04524	5.5
175.03978	15.1
176.04648	1.2
178.02708	3.9
179.03386	1.3
191.05586	7.8
191.07158	0.9
193.05032	79.9
194.05321	2.8
207.06595	0.7
209.06639	37.0
210.06964	0.6
217.08659	1.0
233.08162	2.6
235.06184	1.1
241.00262	1.8
247.06163	0.8
261.07599	1.9
267.07031	3.3
275.05618	0.8
319.19269	0.7
335.07709	1.3
367.10272	26.3
368.10608	1.6
385.11356	100.0
386.11728	6.2
443.11993	4.0
480.66766	0.6
505.77887	0.6
561.15314	4.6
561.23395	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	559.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90870	0.2
55.37621	0.3
59.01374	2.9
59.09486	0.2
61.98830	0.5
63.44443	0.3
70.47710	0.9
71.01377	2.6
72.99303	0.6
73.02943	0.8
75.00845	0.6
76.31558	0.3
79.95736	8.9
80.96513	4.6
83.01376	0.5
85.02944	1.4
87.00848	1.4
89.02406	0.8
95.01331	0.3
95.95256	0.3
96.96006	79.1
98.95589	1.1
99.00863	0.4
101.02432	2.2
113.02443	1.7
115.92062	1.3
119.03436	0.3
122.97585	0.5
137.96263	0.8
138.97049	4.1
143.03459	0.3
150.03336	0.3
150.97139	0.6
166.96568	0.7
180.06506	0.3
192.66655	0.3
193.05119	0.3
241.00212	12.5
259.01291	0.9
337.23941	0.3
403.05371	0.9
471.33566	0.3
482.10254	0.3
499.28992	0.5
559.28290	100.0
560.28528	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	561.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03445	5.1
59.01373	3.0
67.01884	0.7
68.99812	1.8
69.03447	4.1
69.43820	2.8
71.01377	6.3
72.99298	5.8
73.02954	0.8
79.01497	0.3
79.01895	1.8
79.95756	0.4
82.39890	0.3
83.01377	2.1
84.02161	0.6
85.02943	16.3
87.00865	6.4
87.04513	2.0
89.02441	1.3
89.03950	2.1
89.32953	0.3
95.01393	0.5
96.31393	0.3
96.96023	2.7
97.02945	6.1
99.00877	3.8
101.02455	0.7
101.71063	0.3
111.00857	3.3
111.90941	0.3
113.02454	1.4
115.04010	2.7
117.03454	7.0
123.04475	0.4
129.01926	13.8
132.02159	2.4
133.02972	1.4
134.03726	87.4
135.03986	2.2
137.02432	1.3
141.01927	3.5
147.04543	0.4
148.05309	0.4
149.06058	10.2
155.03523	2.6
159.02975	3.5
160.01637	11.8
161.02351	1.1
173.04567	3.7
175.03979	15.2
176.04639	0.7
178.02679	3.6
179.03444	0.7
186.06886	0.6
191.05576	8.4
191.07060	0.5
193.05031	70.9
194.05367	1.3
201.09142	0.4
203.07104	0.5
209.06633	35.7
210.07002	0.6
217.08659	1.4
229.04936	0.3
233.08163	2.0
235.06058	1.7
236.06583	0.4
247.06102	0.6
251.45808	0.3
260.81396	0.4
261.07590	1.2
265.71039	0.3
275.05594	0.8
335.07663	1.9
367.10278	28.8
368.10645	1.3
385.11346	100.0
386.11722	5.2
393.57507	0.4
558.42493	0.3
561.15399	2.8
561.23376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89996	0.3
59.01371	2.9
61.98823	1.8
72.99300	0.4
75.00854	0.4
78.95895	13.2
87.19728	0.3
93.48666	0.3
96.96974	0.3
98.19802	0.7
117.63544	0.4
122.00130	0.3
140.01201	2.9
152.99605	1.5
171.00592	0.9
196.03795	3.0
214.04817	3.0
229.66814	0.4
261.22235	0.4
265.56821	0.3
278.02679	0.4
279.23251	100.0
280.23593	6.1
434.56006	0.3
454.67169	0.3
476.27756	39.1
477.28140	3.0
558.27667	1.5
578.73120	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03357	0.3
55.67319	0.2
59.01357	0.8
60.63274	0.2
61.98823	0.5
65.03951	0.7
71.01372	0.8
71.19675	0.6
78.95901	0.9
79.36122	0.2
80.96509	0.8
81.95329	0.3
82.96095	2.3
82.96928	0.5
84.96515	0.3
85.02905	0.4
93.03452	68.2
94.03790	1.2
94.98125	0.3
96.97686	0.3
137.02434	100.0
138.02783	1.7
146.31662	0.2
156.49605	0.2
166.28197	0.2
167.01154	0.9
202.43669	0.3
255.23291	0.4
277.21741	1.4
279.23352	0.4
469.23419	0.3
531.27118	0.3
558.27356	0.3
559.28882	6.8
559.37518	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82223	0.1
59.01373	1.8
61.98827	100.0
62.17017	0.1
70.28801	0.2
70.97854	0.1
73.49976	0.1
78.95906	1.0
80.96319	0.2
96.96075	0.1
96.97022	0.1
98.20715	0.3
107.43817	0.2
116.92842	1.1
117.01938	0.2
132.28697	0.1
152.99571	0.3
224.06966	0.2
226.07439	0.1
255.23239	2.3
256.23593	2.2
257.23923	1.2
258.24176	0.8
281.24823	1.2
282.25146	1.5
287.22311	0.6
342.28098	0.1
480.31030	1.2
481.31705	0.5
482.31601	1.0
483.31775	2.6
506.32706	0.4
507.32578	0.8
557.32007	0.6
557.44482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01377	24.8
61.98825	3.8
68.95531	0.5
71.01376	8.2
71.62295	0.6
71.62673	0.8
72.99302	3.0
73.02946	4.4
75.00861	3.3
78.95927	0.7
79.71262	0.6
79.95736	4.0
83.01374	1.7
85.02943	4.5
87.00868	1.4
89.02448	3.7
95.01396	0.9
95.95247	0.7
96.96001	24.9
97.02924	0.8
97.95985	0.7
98.95582	1.0
99.00867	0.7
101.02438	4.6
102.02777	0.7
109.02954	1.1
111.00906	0.7
113.02448	3.4
116.07170	100.0
117.05574	0.5
117.07513	1.1
119.03517	1.2
121.69791	0.5
129.01944	0.9
130.99866	0.7
138.97049	1.7
153.01978	0.9
161.04585	0.8
173.40202	0.5
179.05676	0.7
193.04974	0.7
193.06593	0.6
198.99271	0.7
241.00250	2.1
242.00728	0.5
256.99771	1.0
292.19174	1.8
335.22168	2.9
336.22491	4.1
342.11334	0.6
454.24384	2.5
454.64572	0.6
472.25504	6.6
514.26526	84.8
515.26990	6.5
557.70776	1.0
558.19434	1.4
558.26886	12.5
559.28229	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	557.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
57.03440	4.1
58.00576	0.8
59.01091	0.9
59.01375	14.7
61.98828	4.5
64.85681	0.5
67.01894	1.2
68.99809	2.0
69.03453	2.7
69.61366	3.4
71.01376	14.4
72.99306	4.8
73.02947	4.2
73.04965	0.5
75.00865	0.7
78.22425	0.5
78.95879	0.7
79.95716	0.6
83.01379	5.3
84.89474	0.5
85.02937	18.9
86.00067	0.7
87.00875	4.3
87.04488	2.0
89.02425	2.6
94.50147	0.5
95.01379	1.2
96.96003	5.7
97.02946	5.9
98.20654	1.0
99.00867	4.7
101.02433	12.8
109.02935	1.0
111.00861	3.3
111.08144	0.9
113.02450	5.5
115.03981	2.9
117.01859	0.5
119.03493	0.6
120.99627	2.1
127.11243	0.6
129.01938	10.8
130.08705	0.9
134.03703	0.8
135.04503	1.6
141.01920	2.4
149.06023	0.5
157.12332	3.4
159.02974	0.5
161.02472	2.5
161.04507	1.1
166.06192	0.7
173.08131	0.8
177.01904	1.2
179.03426	0.9
184.07251	0.7
185.11856	0.6
191.05609	6.3
196.09773	0.5
203.12848	7.9
209.06621	1.2
225.05617	0.5
241.00108	0.7
256.99368	0.6
287.10504	0.7
340.11926	0.6
341.12119	0.6
347.17041	1.9
353.08765	1.3
358.13113	0.8
359.13199	1.3
365.18118	100.0
366.18466	4.0
507.20706	1.8
539.27911	0.7
557.24463	99.4
558.24646	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	556.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.9
60.29266	0.5
61.98819	1.3
69.27679	3.7
71.01375	1.0
72.72658	0.5
78.95899	19.2
78.96364	1.1
78.98588	0.5
79.95733	1.3
80.96511	8.7
82.49707	0.4
94.98080	1.9
106.26330	0.5
118.68461	0.4
125.02429	0.5
134.97562	0.7
152.98528	1.0
152.99599	2.9
158.36935	0.5
164.98619	1.2
168.04318	3.0
168.81953	0.5
176.32755	0.4
206.99696	0.5
224.06895	8.2
225.00743	1.7
242.07939	1.4
281.24817	100.0
282.25159	4.6
506.32446	74.4
507.32932	5.7
546.90405	0.5
556.28644	16.8
557.28790	2.0
563.08337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18099	0.9
52.86420	0.8
55.00250	0.9
55.01883	1.7
57.03437	1.8
59.01376	100.0
59.93862	0.9
61.98831	2.5
71.09818	1.6
73.02922	1.8
78.95910	2.1
83.01386	14.0
89.02467	1.8
90.48827	1.0
91.03998	3.0
98.87811	0.9
101.02431	3.6
116.75272	0.8
119.03485	2.4
157.05051	1.8
175.06094	5.0
193.07210	6.3
272.77560	0.9
279.23245	43.6
280.23630	2.6
280.98712	0.9
281.24814	3.0
287.22330	1.8
437.28912	7.7
455.30084	40.2
456.30350	3.0
482.34912	2.5
497.31274	9.0
542.22028	1.0
556.27161	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	557.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.7
57.03445	11.6
59.01362	4.0
62.43564	1.0
67.01894	2.3
68.78363	1.1
68.99805	1.8
69.03451	8.7
70.75297	1.1
71.01375	9.1
71.62949	1.4
72.99310	6.3
73.02950	1.1
83.01379	2.9
83.05017	10.0
85.02945	25.5
87.00875	9.2
87.04506	2.8
89.02439	1.2
95.01389	1.7
96.96012	9.1
97.02939	14.1
99.00880	3.8
101.02442	1.8
109.06583	2.2
111.00861	2.2
111.08154	72.9
112.08458	1.5
113.02446	2.2
115.03996	4.4
116.92851	2.6
118.44227	1.0
120.01240	2.2
129.01938	13.5
129.09193	3.4
133.02924	1.7
141.01927	6.7
149.02412	1.4
153.01915	1.1
159.02954	2.4
161.02426	5.2
173.08174	63.2
174.08487	1.5
179.06982	1.0
191.05602	10.5
197.08240	2.2
209.06618	10.1
347.13339	2.0
365.14447	44.4
366.14737	2.4
403.41904	1.3
539.12769	1.9
539.19727	4.9
539.64142	1.7
557.20813	100.0
558.21320	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	557.2082
Annotation	Trigilletimine
Peak:m/z	Relative Intensity
50.97735	0.4
52.91317	0.5
55.01856	0.6
57.03182	0.5
57.03447	7.7
59.01376	2.9
63.65258	0.5
67.01884	1.3
67.52041	0.4
68.99802	1.4
69.03452	8.2
71.00987	0.6
71.01378	8.3
71.63002	0.8
72.99300	5.7
73.02945	1.1
83.01375	3.2
83.05018	6.2
85.02946	16.8
86.03315	0.5
87.00871	6.4
87.04504	2.3
89.02438	0.7
95.01379	0.7
96.96004	2.3
97.02943	14.1
99.00893	5.4
99.03310	0.4
101.02409	0.9
109.06570	1.5
111.00864	2.4
111.08151	49.1
112.08492	1.1
113.02414	1.9
115.03992	3.7
129.01936	11.6
129.09207	2.0
134.03682	0.5
135.04460	0.6
141.01936	5.3
148.04024	0.5
159.02937	1.3
161.02423	1.0
163.06383	0.5
167.03346	0.6
173.08171	43.6
174.08464	0.7
183.05382	0.5
191.05600	6.6
197.08200	1.2
201.17885	0.5
201.19786	0.4
203.12915	0.5
209.06703	3.2
265.70917	0.5
340.11920	0.9
341.12091	0.6
347.13513	0.6
358.13019	0.8
359.13306	1.2
365.14413	15.4
365.18240	5.2
366.14691	1.0
384.80466	0.5
396.40381	0.5
463.18268	1.2
481.19299	1.2
507.16937	1.7
521.19135	0.7
539.19794	8.7
540.20667	0.7
555.28571	0.5
557.20789	100.0
558.21149	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	555.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03446	9.8
58.00560	1.4
59.01377	11.7
61.60133	1.1
61.98801	1.8
67.01880	3.1
68.05087	1.5
68.99809	6.7
69.03449	8.1
69.41330	3.0
69.41747	7.8
71.01372	21.1
72.99295	9.1
73.02940	1.6
74.21791	1.4
79.95715	1.5
83.01363	6.6
85.02942	36.2
87.00874	6.7
87.04504	4.3
89.02444	4.8
89.06136	1.4
93.03479	6.7
95.01369	2.4
96.95998	10.4
97.02944	15.1
99.00877	12.5
101.02412	3.3
107.04962	1.6
108.02160	16.4
109.02914	3.1
109.65894	1.6
111.00871	7.2
113.02440	4.6
115.04018	8.6
121.02959	8.5
122.03709	5.8
123.00842	1.6
123.04525	15.6
129.01927	28.4
133.02942	2.9
133.58446	1.4
134.03719	3.7
135.04509	4.5
137.02426	14.6
141.01910	8.3
148.04002	1.6
149.02443	18.3
150.03206	46.6
151.00322	4.4
151.03987	9.8
152.01135	28.2
153.01924	3.8
159.02943	4.1
160.01654	4.9
160.59685	1.4
161.02437	9.6
164.04735	3.0
165.05551	50.3
166.02643	3.1
166.05916	1.8
166.99847	2.1
167.03477	60.8
168.03799	2.0
175.03955	6.0
179.03473	2.8
179.05519	1.6
179.07034	1.9
180.04161	4.7
181.04994	10.4
182.02116	1.5
191.05585	34.3
191.07300	2.1
193.05028	4.2
195.06584	21.3
197.04488	3.5
209.06549	3.3
239.29675	1.6
245.06740	1.4
256.07297	7.1
265.07129	1.9
271.02573	2.3
271.09637	3.8
300.02753	1.9
301.03140	2.2
315.08624	18.0
316.08957	1.7
331.09296	1.8
340.11752	1.6
349.09415	2.6
358.09082	4.6
358.13080	3.2
359.09763	2.3
363.10794	15.9
400.59152	1.9
443.11838	4.7
473.62051	2.5
491.11295	3.3
507.18369	1.6
517.15485	3.5
517.22260	2.7
519.24390	2.9
523.15692	2.0
554.64551	3.0
555.17035	100.0
556.17328	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	555.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95352	2.6
59.01377	100.0
61.58118	2.3
69.78547	2.1
71.01378	3.2
71.19364	4.0
71.19700	3.8
74.72504	2.6
75.00858	4.2
79.95744	6.0
80.96513	2.5
82.10522	2.8
85.02956	3.3
96.96011	39.3
144.14047	2.8
184.97652	3.6
217.35463	2.5
226.13644	2.8
414.16208	19.9
414.66406	6.7
525.07031	2.8
555.26642	16.6
555.36487	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	554.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	22.9
59.74979	0.2
60.36375	0.2
60.67254	0.2
64.72842	0.2
69.84523	0.2
71.62034	0.4
78.95896	18.1
80.96512	1.3
94.16810	0.2
94.98054	0.2
96.96950	0.4
101.33780	0.2
101.60260	0.2
108.82781	0.2
122.98482	0.3
134.97595	0.2
145.81596	0.2
152.99580	3.0
168.04291	3.1
201.99963	0.3
214.67485	0.2
224.06894	7.8
225.00615	0.3
229.83011	0.2
240.19214	0.2
242.07922	1.7
250.43961	0.2
255.23256	100.0
256.23593	5.0
281.36237	0.2
312.39145	0.2
396.78635	0.3
409.04919	0.2
480.30875	71.6
481.31232	5.2
554.27002	2.0
554.34479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
57.03446	9.8
58.00560	1.4
59.01377	11.7
61.60133	1.1
61.98801	1.8
67.01880	3.1
68.05087	1.5
68.99809	6.7
69.03449	8.1
69.41330	3.0
69.41747	7.8
71.01372	21.1
72.99295	9.1
73.02940	1.6
74.21791	1.4
79.95715	1.5
83.01363	6.6
85.02942	36.2
87.00874	6.7
87.04504	4.3
89.02444	4.8
89.06136	1.4
93.03479	6.7
95.01369	2.4
96.95998	10.4
97.02944	15.1
99.00877	12.5
101.02412	3.3
107.04962	1.6
108.02160	16.4
109.02914	3.1
109.65894	1.6
111.00871	7.2
113.02440	4.6
115.04018	8.6
121.02959	8.5
122.03709	5.8
123.00842	1.6
123.04525	15.6
129.01927	28.4
133.02942	2.9
133.58446	1.4
134.03719	3.7
135.04509	4.5
137.02426	14.6
141.01910	8.3
148.04002	1.6
149.02443	18.3
150.03206	46.6
151.00322	4.4
151.03987	9.8
152.01135	28.2
153.01924	3.8
159.02943	4.1
160.01654	4.9
160.59685	1.4
161.02437	9.6
164.04735	3.0
165.05551	50.3
166.02643	3.1
166.05916	1.8
166.99847	2.1
167.03477	60.8
168.03799	2.0
175.03955	6.0
179.03473	2.8
179.05519	1.6
179.07034	1.9
180.04161	4.7
181.04994	10.4
182.02116	1.5
191.05585	34.3
191.07300	2.1
193.05028	4.2
195.06584	21.3
197.04488	3.5
209.06549	3.3
239.29675	1.6
245.06740	1.4
256.07297	7.1
265.07129	1.9
271.02573	2.3
271.09637	3.8
300.02753	1.9
301.03140	2.2
315.08624	18.0
316.08957	1.7
331.09296	1.8
340.11752	1.6
349.09415	2.6
358.09082	4.6
358.13080	3.2
359.09763	2.3
363.10794	15.9
400.59152	1.9
443.11838	4.7
473.62051	2.5
491.11295	3.3
507.18369	1.6
517.15485	3.5
517.22260	2.7
519.24390	2.9
523.15692	2.0
554.64551	3.0
555.17035	100.0
556.17328	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	554.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
61.98824	100.0
69.97883	0.7
70.25325	0.6
71.61909	0.6
71.62302	0.8
96.95976	1.2
101.30697	0.6
107.28427	0.7
196.45183	0.7
261.13174	0.8
300.02673	0.7
448.15637	0.9
520.29089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38044	0.2
59.01379	2.1
61.98819	0.5
70.11457	0.7
70.86309	0.1
78.95900	6.0
80.82645	0.2
83.01375	0.2
96.95993	0.2
98.19872	0.2
152.99614	0.9
154.77299	0.1
168.04335	1.3
175.06030	0.2
224.06876	0.9
242.07950	2.3
261.21991	0.3
277.21744	0.6
279.23257	100.0
280.23608	6.2
435.27151	0.2
453.28564	0.7
504.30933	41.5
505.31235	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	554.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93089	0.3
53.75337	0.3
59.01361	0.7
61.24802	0.3
61.98822	0.6
71.32819	0.6
76.79923	0.3
78.95898	21.9
80.96505	0.9
96.96929	0.4
97.88608	0.2
109.32546	0.3
152.99611	3.3
164.98605	0.3
168.04285	3.6
224.06911	8.7
242.07907	2.0
261.22232	0.7
279.23251	100.0
280.23611	5.9
335.75195	0.3
504.30908	77.8
505.31198	6.1
511.52313	0.3
554.27209	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	17.5
61.98814	1.0
68.99586	0.3
70.20866	0.5
70.21258	0.5
71.01385	0.4
78.95897	5.6
78.98631	0.3
79.95731	0.6
80.96507	2.8
87.00848	0.3
94.98078	0.7
98.20580	0.3
112.98544	0.6
122.97652	0.3
143.68935	0.2
152.10559	0.2
152.99580	1.0
161.02434	0.2
164.98555	0.6
168.04312	1.3
179.92047	0.2
181.24162	0.2
224.06920	0.9
225.00772	0.6
242.07933	2.1
255.23264	100.0
256.23602	4.4
267.50467	0.3
279.23276	1.6
480.30881	37.7
481.31165	2.7
504.30917	0.9
554.27032	5.8
554.34985	0.5
555.26526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
61.98829	7.7
69.37572	2.5
69.37996	4.8
71.01379	2.7
79.95736	2.8
80.96521	1.4
85.02969	1.8
88.98808	5.2
89.02467	0.8
94.06618	2.9
96.96004	25.7
101.02438	0.8
107.03754	8.0
113.02452	1.0
116.92847	1.7
120.04544	2.0
122.06108	51.0
123.06455	1.9
124.07642	1.0
127.41898	0.7
132.04536	2.5
133.02982	0.9
134.03807	1.8
134.06105	2.0
135.04570	0.8
138.97087	1.0
139.02756	2.3
149.02425	0.8
150.05585	0.9
151.00282	0.9
152.07152	100.0
153.07491	3.6
158.02510	1.0
160.03957	1.7
161.02438	1.9
165.05530	1.0
174.10930	1.0
175.03983	1.3
185.07248	0.9
190.05055	2.8
192.06679	2.2
193.04997	2.6
197.07201	1.1
209.10812	1.0
213.10239	6.1
222.07971	3.2
225.06700	2.2
225.10283	2.0
234.07884	1.0
237.06522	2.3
237.10292	20.4
238.07202	1.8
238.10927	0.9
239.08174	3.1
241.00250	2.5
249.06831	1.1
251.08287	3.9
253.09770	8.1
263.08228	1.3
264.08957	0.9
265.06192	6.0
265.09714	2.8
266.06900	12.5
267.07590	0.9
270.11484	0.9
277.06155	1.3
278.06943	3.2
279.07632	3.2
280.08441	3.9
281.09283	56.3
282.09567	2.5
284.07947	0.9
293.09308	27.6
294.09726	1.8
295.10843	1.1
313.11880	9.1
324.07962	1.0
325.11899	2.3
341.11395	1.7
355.12961	2.9
360.09729	5.1
367.09769	1.1
378.18088	2.0
402.18271	7.0
418.17560	2.9
446.17163	35.6
447.17639	2.5
450.19907	1.0
464.09106	1.7
478.19775	58.6
479.19949	4.8
490.16183	15.5
491.16617	1.7
510.22397	17.5
511.22937	2.2
522.18768	73.6
523.18903	6.7
554.13641	1.3
554.21564	24.6
555.07733	3.0
555.15063	1.6
555.22046	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.5
59.51212	0.9
61.98823	7.0
69.32794	7.9
71.01360	1.3
71.12647	0.9
72.99281	0.9
75.29427	0.8
79.95747	5.9
94.06616	3.3
96.96005	20.1
98.20644	1.7
101.02451	0.9
107.03760	11.9
108.87604	0.9
111.00859	1.4
113.02436	0.9
116.92867	0.8
120.04533	2.0
122.06116	59.2
123.06423	1.6
123.42657	0.9
124.07656	2.0
129.01833	0.9
134.03784	1.2
134.06117	4.1
138.97067	1.1
139.02747	5.2
150.05629	1.0
152.07166	100.0
153.07484	3.0
154.72594	0.9
165.05577	1.1
174.05829	1.1
177.01810	0.9
187.06056	1.0
190.05103	2.8
213.10312	2.4
222.07919	1.9
224.05830	1.7
225.06630	2.4
225.10306	1.7
235.08594	1.5
237.06612	2.6
237.10307	12.0
238.07350	2.9
239.08261	1.6
241.00037	1.0
249.10252	1.2
250.07193	0.9
251.08221	5.6
252.05359	1.4
252.08865	2.1
253.09824	9.2
256.99640	1.8
259.01193	2.5
263.08252	1.9
264.08878	1.5
265.06131	9.6
265.09756	3.6
266.06918	15.9
267.07339	1.2
277.06107	1.3
278.06979	5.3
279.07782	4.8
280.08417	6.4
281.09286	81.1
282.09561	3.7
284.08072	1.2
293.09302	47.0
294.09839	6.1
295.10886	1.1
313.11938	10.2
336.32281	1.0
355.13083	1.8
360.09973	5.6
360.60114	2.4
402.18567	2.2
405.65015	0.9
418.17679	5.8
446.17172	83.9
447.17331	4.0
450.20120	1.2
463.20297	0.9
478.19775	27.8
479.19888	2.5
490.16147	42.0
491.16360	3.5
522.18756	98.2
523.19006	8.3
554.21765	2.7
555.25763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78578	0.7
59.01379	16.8
61.98825	3.3
67.38258	0.6
71.57442	1.1
78.95905	22.7
80.96527	1.1
96.96008	1.2
118.10303	0.7
152.99596	2.7
168.04277	3.6
200.71481	0.7
224.06915	7.7
242.07979	3.4
242.72993	0.7
253.21707	100.0
254.22150	4.9
277.21701	56.7
278.22000	3.5
478.29370	37.2
479.29605	2.3
502.29395	52.2
503.29715	3.8
552.25671	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	553.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16751	0.7
59.01371	7.2
61.98813	1.3
69.27781	4.4
69.28203	2.0
71.01375	3.6
73.01823	0.6
79.95717	4.5
80.96527	4.4
89.02427	4.1
89.03107	0.6
95.01378	0.7
95.95208	0.7
96.96002	100.0
101.02431	2.1
110.97575	60.6
113.02428	1.6
119.03464	1.3
123.45864	0.6
138.97061	39.9
159.37497	0.8
165.06302	0.6
168.98123	5.7
198.99159	43.8
241.00172	1.2
251.03522	1.5
259.01245	99.9
260.01578	1.9
279.02896	5.2
512.76550	0.8
553.06512	64.0
554.07092	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03220	0.5
57.03448	5.5
58.00577	0.6
59.01093	0.7
59.01376	12.3
61.98800	0.6
67.01889	1.2
68.99812	2.1
69.03455	4.4
69.70430	2.4
71.01376	17.8
72.99308	5.2
73.02946	3.8
73.90182	0.4
75.71228	0.4
79.95737	0.9
83.01376	4.5
85.02945	20.7
86.00081	0.7
87.00880	6.9
87.04510	1.6
89.02422	3.1
95.01374	1.3
96.95998	5.0
97.02946	7.6
98.19875	0.8
99.00884	5.8
101.02432	6.9
111.00892	2.6
112.93658	0.4
113.02430	4.7
113.43375	0.4
114.53391	0.5
114.95299	0.4
115.04000	3.4
119.03540	0.6
125.02444	0.7
125.09712	1.1
126.95199	0.4
129.01932	9.6
134.03755	0.9
139.11270	0.6
141.01920	2.9
143.03510	0.5
148.03990	0.5
149.06058	0.4
150.03232	0.8
151.03996	0.4
159.02974	1.3
161.02457	1.1
165.05576	1.4
187.09828	0.7
191.05594	6.8
199.13368	5.9
199.54541	0.4
209.06648	1.7
209.48218	0.5
241.00311	0.8
256.99722	0.5
339.03647	0.4
340.11887	1.6
343.17639	2.2
361.18631	32.9
362.19135	1.5
499.21552	0.5
503.21289	3.0
504.10376	0.5
509.16840	1.4
517.22675	0.6
553.25018	100.0
554.25238	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	552.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95596	0.4
59.01373	6.7
60.39605	0.3
61.98819	2.0
70.76060	0.7
78.95896	31.1
80.96528	1.0
87.68159	0.4
89.43782	0.4
91.26063	0.5
94.07508	0.4
96.95998	0.6
96.96940	0.8
97.82536	0.4
102.13283	0.4
152.07152	0.6
152.99561	4.1
162.83965	0.6
168.04309	4.9
191.61656	0.4
221.88553	0.4
224.06908	11.6
229.97517	0.5
242.07977	4.1
247.64510	0.4
253.21696	34.7
254.21983	1.2
259.20718	0.6
267.29773	0.4
277.21686	100.0
278.21997	5.7
373.26273	0.6
478.29355	11.5
479.29755	1.1
502.29358	96.2
503.29773	7.8
552.25385	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	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.7
60.39710	0.5
61.98830	4.2
63.28141	0.5
63.92837	0.5
64.56708	0.6
66.44924	0.5
71.09343	1.2
78.95902	16.4
78.96363	0.8
96.96017	0.7
148.93652	0.5
152.99586	2.7
168.04306	2.5
224.06888	7.7
242.07944	2.2
253.21703	100.0
254.21964	4.9
268.77023	0.6
277.21741	1.1
300.02609	0.6
478.29370	59.6
479.29645	4.5
502.29849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99636	0.3
59.01375	16.2
61.69181	0.3
61.98816	0.6
69.42030	0.3
69.74883	2.0
71.01373	3.8
72.99294	0.5
73.02950	0.6
78.95891	0.5
79.33907	0.3
83.01363	0.3
85.02946	0.7
87.00849	0.7
89.02435	4.7
90.29478	0.3
94.92508	0.4
96.95976	0.3
101.02435	4.4
113.02477	2.3
118.27711	0.3
119.03481	1.3
152.99631	0.5
161.04486	1.9
235.08147	2.0
253.09265	20.5
254.09702	0.4
255.23268	100.0
256.23624	4.9
287.51297	0.4
395.68106	0.3
491.32104	1.2
542.62048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14347	0.2
53.14607	0.2
55.19914	0.2
57.00152	0.2
59.01379	1.6
61.98818	0.9
62.26097	0.2
65.93826	0.2
70.94063	0.5
78.95906	7.3
80.96492	0.3
96.96008	0.5
96.96939	0.3
114.69197	0.2
118.62193	0.2
123.32228	0.2
127.07640	0.3
133.53510	0.2
152.99586	1.0
168.04308	1.8
214.68277	0.2
218.12865	0.2
224.06960	1.3
233.22707	0.6
242.08015	3.4
259.20706	0.7
262.34027	0.2
275.20117	0.4
277.21698	100.0
278.22064	6.0
278.24405	0.2
300.38666	0.2
326.90085	0.2
370.21854	0.3
393.79132	0.2
502.29370	43.8
503.29620	3.3
552.25610	0.4
566.76874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	69.4
61.98820	65.6
70.99831	100.0
78.95882	47.5
92.73168	38.2
106.19952	46.3
178.46228	38.9
242.45503	42.6
279.23160	89.9
282.25348	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.7
61.98820	3.6
69.39970	2.8
69.40382	2.0
71.01361	2.7
78.91875	1.3
78.95894	2.1
89.02441	2.3
94.92500	1.9
96.96000	0.8
101.02430	2.7
113.02440	1.5
152.99507	3.0
161.04517	0.7
211.81367	0.7
235.08188	2.1
253.09244	12.7
254.79558	0.6
255.23265	100.0
256.23627	5.0
279.23230	1.4
347.37668	0.7
381.73737	0.7
410.22174	0.6
410.90070	0.8
469.33179	2.3
491.32245	1.0
551.33905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06350	0.1
59.01366	0.2
71.01392	0.1
78.95896	1.3
79.95728	2.4
89.02476	0.1
89.94965	0.1
96.96001	100.0
96.96878	2.7
97.95941	0.2
113.02418	0.1
147.04532	0.1
206.61900	0.1
213.73267	0.1
217.69499	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25286	12.1
54.40724	10.0
54.72747	11.0
56.00035	9.3
59.01382	100.0
61.98822	35.7
64.92084	9.2
69.49208	48.2
69.49641	30.7
78.95885	23.0
92.92777	24.1
96.95986	29.0
121.02859	9.9
152.99570	23.7
157.61835	9.2
184.56854	8.9
253.21667	27.2
549.29199	23.2
564.92804	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	549.3065
Annotation	4,5-Dihydroxykleinifulgin
Peak:m/z	Relative Intensity
59.01384	3.3
60.81887	0.5
61.98828	1.8
71.61876	0.6
72.99335	0.6
78.95927	0.8
82.98667	0.5
84.39984	0.7
89.13530	0.5
96.96019	0.9
105.03452	0.6
117.03467	1.0
121.02964	1.7
126.13448	0.5
132.02180	0.7
133.02953	24.7
134.03741	5.8
135.04523	14.2
135.05489	1.1
137.02440	2.7
148.05365	0.8
161.02435	100.0
162.02788	2.4
179.03484	4.8
186.14149	0.5
235.06102	1.0
247.09738	0.7
295.22766	0.7
313.23831	7.1
331.15445	0.7
389.26959	8.8
413.26794	0.7
457.25952	37.6
458.26425	3.5
475.26917	11.6
476.27286	1.2
549.30652	87.3
550.31055	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	549.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92780	0.4
59.01376	14.2
61.98825	2.8
71.01376	2.2
72.99297	0.6
73.02936	0.7
75.00838	0.6
78.95901	5.4
82.34155	0.4
83.01403	0.6
85.02953	0.9
87.00847	0.8
89.02443	1.7
89.63319	0.4
91.46721	0.3
94.92504	1.0
96.95969	0.4
96.96980	0.7
101.02424	2.4
106.90363	0.4
113.02429	1.5
119.03482	1.1
121.02908	0.6
137.51869	0.4
152.99588	7.5
154.50931	0.5
161.04510	1.0
199.11195	0.5
201.99051	0.4
235.08180	2.2
253.09279	14.0
253.21690	100.0
254.22063	4.2
337.18353	0.8
415.79999	0.4
489.30420	0.9
549.08563	0.4
549.28381	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03447	4.9
58.00539	0.6
59.01383	5.8
61.98829	1.3
67.01907	0.6
68.61452	0.5
68.99815	2.8
69.03448	4.6
69.62363	3.4
71.01376	7.8
72.99297	5.6
73.02954	0.9
75.00843	0.9
79.01883	2.2
79.95739	1.1
80.73250	0.5
83.01374	3.1
84.02166	1.0
85.02940	17.1
87.00871	7.1
87.04500	1.3
88.98779	0.5
89.02447	1.7
89.03971	0.9
95.01392	0.7
95.95242	0.6
96.95996	5.1
97.02948	5.2
99.00876	4.0
101.02438	0.9
108.02178	1.1
111.00870	3.2
113.02454	2.0
115.03992	3.1
117.03452	4.1
120.04520	0.6
123.03255	26.9
123.04554	1.3
124.03596	1.0
129.01939	15.2
132.02179	2.7
133.02946	1.3
134.03732	69.1
135.04193	1.3
137.02458	1.0
138.05600	77.2
139.05951	1.7
141.01949	3.5
141.34711	0.6
147.04532	1.0
149.06058	12.3
150.06505	0.6
155.03494	2.0
159.02940	3.1
160.01643	15.0
161.02434	0.9
164.03508	2.5
165.05582	0.7
173.04530	3.4
175.03978	19.8
176.04605	1.0
177.01775	0.5
178.02692	2.2
179.03503	0.9
182.54106	0.5
186.06783	0.5
191.05609	11.3
191.07140	1.1
193.05035	61.2
194.05392	2.3
202.06354	0.5
203.07233	0.5
209.06641	37.8
210.06970	0.9
217.08672	0.9
233.08154	3.0
235.06085	2.0
256.99863	0.8
261.07605	2.4
275.05548	1.4
314.08725	0.7
335.07657	3.7
340.81485	0.6
353.08777	0.8
354.17972	0.6
367.10294	43.6
368.10635	2.7
374.10928	0.7
382.17682	1.6
385.11365	100.0
386.11707	5.8
405.53595	0.6
429.21097	0.6
470.19440	1.6
488.17499	0.8
550.14410	6.5
550.28473	0.6
551.14227	1.9
551.28320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Alboside I
Peak:m/z	Relative Intensity
59.01381	3.9
60.38060	0.2
69.26001	2.7
71.01376	2.2
72.99305	0.4
74.43427	0.2
79.95743	1.0
85.02966	0.8
87.00866	1.5
89.02448	0.9
89.03967	2.0
95.01404	0.3
96.96004	6.1
101.02441	1.1
104.48981	0.3
104.59818	0.2
108.02130	0.4
109.96436	0.3
111.00852	0.4
113.02439	0.8
117.03457	6.9
119.03503	0.5
121.02889	0.3
123.04499	0.4
129.01918	0.7
132.02168	0.8
133.02945	0.4
134.03731	77.5
135.03998	1.7
137.02443	1.0
139.04034	0.3
141.01961	0.3
143.74039	0.3
145.02972	0.5
146.03757	0.6
147.04437	0.4
149.02473	0.5
149.06075	6.2
150.03183	1.0
159.02974	0.3
160.01657	3.6
161.02415	1.1
161.04510	0.8
162.03188	1.0
162.49083	0.2
164.04744	0.3
165.05577	1.0
175.04007	3.8
177.05539	1.5
178.02693	3.1
179.03482	0.4
179.07086	1.1
193.05037	100.0
194.05370	2.5
195.06580	0.6
241.00175	0.7
290.24838	0.2
304.10980	0.3
309.11203	1.1
339.10797	0.3
353.10089	0.6
373.12885	0.7
443.13275	0.3
469.17026	0.3
507.90027	0.3
533.16443	1.9
551.10980	1.1
551.21545	1.6
551.30200	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	549.1823
Annotation	Genipin 1-beta-gentiobioside
Peak:m/z	Relative Intensity
55.01874	1.7
57.03448	7.0
58.00595	1.8
59.01376	55.4
61.98826	1.8
67.01898	1.6
68.99815	2.5
69.03454	4.4
69.50975	4.7
71.01380	35.8
72.99303	7.3
73.02946	5.2
74.00734	0.6
83.01387	5.6
85.02428	1.4
85.02949	29.9
87.00871	8.1
87.04519	2.9
88.98826	0.8
89.02444	31.7
90.72015	0.7
95.01402	2.6
96.96007	4.7
97.02946	10.3
97.80879	0.7
99.00864	6.0
99.04501	0.7
100.41646	0.6
101.02437	19.1
103.26789	0.6
108.02136	1.8
111.00877	2.3
113.02446	13.6
115.04002	3.9
116.01783	1.2
119.03503	12.2
119.05010	2.8
121.02886	1.4
123.04527	2.3
124.01678	1.5
125.02472	1.0
127.04007	2.1
129.01945	13.5
131.03496	2.1
134.03728	5.6
135.04543	8.4
136.05287	9.7
137.02422	1.0
137.06061	1.0
141.01962	3.9
141.17134	0.6
141.18286	0.6
143.03523	2.8
146.02478	0.7
149.04599	0.7
149.06070	2.6
151.03972	1.8
151.07625	3.2
157.03676	0.6
159.02966	2.0
161.02473	0.9
161.04532	4.6
163.04005	1.4
163.11304	5.5
177.01939	3.3
177.05629	1.9
178.01678	1.2
179.05611	8.3
181.05025	5.3
191.05597	11.7
193.05042	2.7
194.05412	1.3
195.06613	79.4
196.06958	2.6
207.06586	1.6
209.06618	4.4
209.08327	1.1
221.06618	6.9
237.07669	0.7
241.05069	1.0
256.07428	0.8
263.09131	2.9
271.09717	2.6
337.09158	2.4
357.11954	3.4
385.11691	0.9
386.11688	2.7
387.12683	5.6
387.17252	3.2
401.37808	0.7
418.17752	0.7
470.16687	2.1
485.12814	0.8
499.14539	4.0
549.17493	100.0
550.17944	6.3
566.84985	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
56.27102	0.6
57.03436	2.0
59.01375	37.5
61.98815	1.2
69.47408	0.5
71.01378	23.4
71.42419	0.8
72.99283	1.5
73.02932	3.0
83.01376	1.9
85.02946	17.0
87.00850	2.5
89.02444	14.7
95.01373	5.0
96.95995	6.1
97.02954	0.7
98.09964	0.6
99.00861	1.5
101.02431	12.3
109.02926	1.0
109.70183	0.5
113.02443	29.1
113.46362	0.5
119.03478	4.2
125.02413	1.2
129.01915	1.1
131.03514	0.9
133.62538	0.6
134.03740	1.3
135.04503	0.6
137.02437	0.9
143.03453	1.3
149.04517	1.5
161.04572	3.0
163.11244	2.9
172.25864	0.5
175.03969	1.3
179.05592	1.8
191.05486	1.0
193.05046	0.9
207.10210	2.6
209.06680	3.7
221.06668	1.6
225.11345	0.8
241.05113	0.8
256.07373	0.7
267.06686	0.6
271.09567	1.2
357.15549	0.9
370.12927	0.9
387.10992	1.0
387.16364	1.8
388.13889	1.0
467.15796	0.7
489.19611	7.1
549.21790	100.0
550.22107	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	549.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	9.5
59.01382	27.4
64.30856	2.2
69.03420	7.1
69.64699	5.6
69.65117	11.0
71.01374	20.9
72.99278	6.5
73.02911	4.4
74.02419	9.8
75.09495	2.2
79.36456	2.3
79.95692	3.0
83.01358	3.5
85.02940	31.0
87.00834	9.9
87.04466	2.6
89.02411	10.3
96.96002	28.8
97.02886	10.2
98.20592	5.0
99.00827	8.9
101.02378	7.8
108.02104	7.0
109.02934	50.7
111.00809	7.4
113.02371	9.1
115.03919	5.8
116.03497	3.1
116.04977	2.8
119.03427	3.3
119.04961	9.0
121.02882	9.3
123.04479	5.7
129.01942	18.8
129.03381	9.1
130.10188	2.7
133.02905	2.6
134.03644	10.0
135.04469	4.0
137.02344	5.3
141.01920	6.5
145.02965	12.6
146.03732	12.7
146.04659	2.8
147.04507	94.9
151.03931	3.5
155.65370	3.0
157.02849	8.7
159.03200	3.9
159.04494	72.3
162.02258	2.3
163.03908	3.8
173.02431	3.5
175.03853	6.9
178.02599	5.0
185.02324	5.0
191.05476	8.1
193.05002	13.0
203.01849	2.8
203.03482	37.9
203.08099	5.6
204.08565	3.1
209.06625	51.3
229.01385	47.8
230.01823	2.8
239.06956	4.6
241.04774	3.4
245.09267	19.7
246.09451	3.3
249.05359	8.0
250.06242	3.8
254.05679	3.3
256.99591	3.9
267.06546	23.3
269.05286	3.6
269.08139	58.0
270.08102	3.3
277.05026	12.4
278.05624	2.7
293.04376	4.8
294.04980	3.8
295.06168	25.5
295.09326	3.3
313.07205	19.9
313.10651	4.4
325.10175	3.5
339.05029	100.0
340.05252	5.1
357.05869	13.7
357.09970	13.2
369.09726	2.9
387.10855	24.9
395.09503	8.6
455.09747	3.4
499.08459	8.0
505.13446	30.1
517.14142	11.4
549.12067	99.2
549.21185	8.3
550.12524	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	549.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38121	0.8
59.01378	12.3
59.07565	0.8
61.98815	2.1
63.02380	3.6
65.00323	6.9
69.03448	1.6
69.26920	7.4
71.01379	7.3
72.99322	1.2
73.02943	1.7
79.95724	5.1
80.96498	1.1
81.03432	0.9
83.01380	6.2
85.02956	5.0
87.00876	3.5
88.98801	1.6
89.02438	5.7
95.95229	2.3
96.95999	19.9
97.02946	1.4
99.00881	3.3
101.02442	3.5
103.41712	0.8
105.79459	0.7
107.01384	15.2
108.02166	6.6
109.02962	0.9
111.00879	1.2
113.02448	2.2
117.03457	0.7
119.03487	1.2
123.03261	3.3
123.04520	2.9
125.02449	1.2
129.01921	2.6
130.08720	1.1
132.02121	1.1
133.02925	1.3
134.03728	29.4
135.04514	2.2
136.01660	3.9
137.02412	1.3
138.05592	8.8
149.04759	1.3
149.06065	17.8
151.00356	40.1
154.21040	0.8
160.01614	4.1
161.02443	1.6
164.01154	5.7
164.03595	0.8
165.01936	2.5
169.01439	2.1
175.04021	5.2
177.01927	7.0
178.02481	0.8
179.03609	1.0
181.05040	2.2
191.05612	2.3
193.05045	10.2
196.00105	3.4
199.04007	1.3
209.06648	7.2
215.03453	1.3
241.00162	1.9
256.99686	1.6
257.08121	1.0
269.00931	0.7
286.04709	2.4
301.07141	100.0
302.07565	3.9
315.01453	3.2
319.17435	0.8
330.03842	4.2
343.07962	0.9
345.06149	6.4
353.08890	1.3
367.10376	9.2
374.10953	1.0
381.17413	2.5
385.11359	13.7
399.94055	0.8
437.19812	0.9
463.12009	0.9
469.19092	2.3
505.13461	36.7
505.26352	3.9
506.13882	1.8
548.27271	1.3
548.67072	0.9
549.21228	17.2
549.28778	3.9
550.20471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36238	0.2
59.01373	2.7
61.63027	0.2
61.98827	100.0
65.54121	0.2
71.09544	0.4
79.92921	0.2
96.96003	0.9
109.78677	0.2
125.97589	0.2
152.98190	0.2
155.49979	0.2
200.56502	0.2
251.20218	0.9
252.20499	1.6
285.10825	0.2
375.36472	0.2
548.35748	0.3
549.28925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
59.01388	3.6
69.48655	5.2
71.01355	2.1
79.95735	1.9
80.96539	0.8
83.01376	1.1
85.02914	1.6
87.00870	0.9
89.02444	1.3
93.23592	0.7
94.08861	0.7
96.96001	7.9
98.20596	1.4
99.00903	0.7
101.02439	1.7
107.01344	2.2
108.02178	2.3
109.02934	2.1
111.00861	2.0
121.02960	2.4
134.03745	1.0
135.00841	1.4
135.04533	1.1
148.01646	1.4
151.00374	8.1
163.00357	1.4
175.03996	1.1
178.02719	0.9
178.99811	2.9
186.80820	0.7
193.05026	1.9
209.06552	0.9
226.02713	1.4
227.03514	2.6
238.98643	1.2
241.00314	1.3
243.02893	11.1
244.03532	1.2
245.04446	0.9
254.02148	2.0
255.02957	28.3
256.03329	1.1
256.99695	4.4
258.99539	0.8
271.02451	56.9
272.02911	3.3
273.03699	1.2
281.09149	0.7
295.07370	1.1
299.02078	1.6
300.02722	100.0
301.03452	29.7
302.03894	1.1
309.08765	0.9
311.10388	5.1
327.09787	1.2
337.08307	1.6
345.13242	0.8
369.10825	4.7
387.11163	4.0
463.08698	6.1
505.09811	69.6
506.10168	5.9
511.18661	1.9
513.17725	1.0
549.16272	13.5
549.29041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.0
61.98822	0.9
66.91633	0.5
69.03426	0.5
71.01379	11.2
71.62199	0.5
72.00905	13.4
72.99298	0.7
73.02931	4.3
78.95897	1.0
83.01391	1.7
85.02950	4.9
87.00893	1.1
88.98814	0.7
89.02440	4.9
95.01373	0.6
96.95997	4.0
96.96982	0.7
97.02950	0.7
99.00867	3.7
101.02438	10.3
108.07832	0.5
113.02427	4.0
115.03978	0.6
119.03497	0.5
123.00909	0.7
125.02436	1.3
131.03516	0.9
133.02950	0.6
134.03728	1.1
135.04483	0.6
137.02473	0.5
143.03479	1.0
147.04515	41.2
148.03972	1.2
148.04985	1.0
149.04547	1.3
150.05591	3.7
159.03015	1.1
161.02422	1.8
161.04532	6.1
164.07152	100.0
165.07568	2.4
191.05569	0.6
193.05013	0.7
194.04553	4.7
233.06657	0.9
251.11314	10.8
299.01782	0.7
352.88116	0.5
356.09756	2.6
383.15552	62.8
384.15643	2.9
385.10895	0.6
548.16559	1.6
549.16528	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.2
59.00648	1.6
59.01374	24.6
61.98827	3.4
65.00314	4.8
65.23489	1.6
65.59139	1.9
68.99834	2.0
69.03447	3.8
70.41618	2.2
70.41965	5.5
71.01379	12.6
72.99301	5.0
73.02939	2.6
75.00870	7.0
79.95732	8.6
80.96516	2.0
83.01363	2.6
85.02934	8.7
87.00864	5.0
87.04491	4.3
88.75336	1.7
89.02430	8.6
93.03443	2.7
95.01423	2.7
95.95221	3.0
96.96001	43.0
96.99339	2.5
98.20554	2.0
98.95566	3.8
99.00893	4.8
100.76654	1.9
101.02442	8.1
110.00092	31.5
111.00880	20.2
113.02420	6.5
113.68533	1.9
114.99013	1.8
119.03435	2.0
119.05020	4.3
121.02955	2.5
123.32302	2.0
125.02458	2.3
129.01917	2.4
134.03716	4.5
135.04486	4.0
136.98758	3.5
137.02420	6.0
137.99573	7.4
138.97105	2.0
139.00365	28.5
140.01155	51.4
141.01997	9.3
141.98940	2.4
152.01140	2.2
153.01862	3.4
155.03491	28.0
159.02899	2.2
160.01640	2.4
161.02419	2.6
161.04573	2.4
165.99066	27.2
168.00592	11.2
178.99883	8.9
180.00572	3.3
181.05226	1.9
185.06168	2.9
193.01527	2.2
193.04968	5.2
221.55603	1.6
225.05589	2.6
229.05077	2.5
241.00128	2.8
249.12457	2.0
256.99704	3.9
258.05423	2.5
268.03671	3.5
285.04031	4.8
286.04782	45.4
287.05640	8.9
293.12216	2.0
294.84457	2.1
301.07141	100.0
302.07361	3.9
325.23859	2.7
367.10425	3.1
380.18277	2.8
402.17880	2.2
490.11166	32.3
505.13510	89.5
506.13773	7.5
548.69049	3.6
549.20172	13.2
549.32330	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	548.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90887	0.3
58.99582	1.4
59.01374	4.3
61.98810	0.5
68.76242	0.3
71.01376	4.2
71.63422	0.5
73.02940	0.7
73.98316	0.3
74.82561	0.3
75.00851	0.5
76.28947	0.3
79.95741	1.8
80.96490	0.6
83.01370	0.5
85.02940	1.3
89.02436	4.3
96.95991	3.1
99.00859	0.6
101.02433	2.0
109.02961	0.3
113.02444	1.2
119.03513	1.1
121.03046	0.4
121.99184	1.6
131.03564	0.4
133.02933	0.9
134.03712	0.8
135.02946	0.8
135.04520	0.7
136.01654	3.0
148.05273	1.4
149.04524	1.0
149.05652	0.6
151.00320	1.0
151.03984	3.8
161.02379	1.7
161.04575	0.8
166.02693	3.9
175.04047	0.5
178.05142	0.7
179.03629	0.4
179.05542	0.9
181.05031	4.4
190.05078	0.3
191.05466	0.7
193.04996	0.5
209.06577	0.4
273.16821	1.2
291.17966	1.9
301.16260	2.7
319.17255	9.1
320.17792	0.6
322.11078	0.3
329.11649	0.4
337.18417	0.4
342.13449	0.9
343.13614	1.4
344.14142	2.0
347.18677	0.4
351.16309	0.6
353.17862	1.0
357.09747	1.3
365.08899	0.4
372.12088	1.2
381.17377	38.5
382.17789	1.8
387.14450	11.3
396.49057	0.4
407.19031	0.6
416.23624	0.3
430.17557	0.6
461.13104	11.8
462.13379	0.8
468.20612	6.6
469.20697	0.7
505.13260	0.4
547.27319	0.6
548.16205	100.0
549.16418	8.3
549.28632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01717	0.9
61.98823	0.9
62.81530	0.3
70.17000	0.4
71.01385	0.4
71.61768	0.4
71.62199	0.4
73.02925	0.3
75.00861	0.4
78.95918	0.4
79.95728	0.4
85.02967	0.6
88.36107	0.4
89.02480	0.4
95.95213	0.6
96.96021	1.9
112.79993	0.3
113.02384	0.3
131.12547	0.3
149.34576	0.3
151.69951	0.3
152.89848	0.3
156.20038	0.4
487.31088	1.4
547.24872	0.4
547.32837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54137	0.3
59.01374	100.0
60.01713	0.7
61.98827	1.8
79.62001	0.3
96.95998	2.9
98.20601	1.2
125.60638	0.4
144.02432	0.4
156.66382	0.4
171.96870	0.4
185.73569	0.4
200.02570	0.4
229.54962	0.6
407.33371	0.5
487.34210	5.1
506.09219	0.4
555.93024	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21109	1.1
55.01864	1.0
57.03448	4.8
58.00579	2.3
59.01376	70.7
59.38321	1.0
61.49516	1.1
61.98822	1.4
63.05915	1.0
65.03956	1.3
69.03449	2.0
71.01380	46.5
71.62935	1.6
72.99299	7.9
73.02958	9.4
75.00868	31.7
79.95731	5.0
80.96528	2.8
82.25919	1.3
83.01375	4.1
83.05019	1.3
85.02947	15.8
87.00870	5.6
87.04502	5.5
89.02438	62.0
89.44347	1.1
95.01378	3.1
96.96005	36.8
97.02910	1.6
98.95589	1.4
99.00881	8.9
99.04507	4.1
101.02438	29.9
109.02935	15.8
111.00867	3.4
111.04533	1.0
112.94854	1.1
113.02438	13.8
113.29182	1.0
117.01954	3.2
119.03487	17.7
125.02439	2.6
128.03435	1.2
129.01927	3.8
130.08734	3.4
131.03502	5.2
131.09056	1.2
133.02953	2.3
134.03706	7.0
135.02997	100.0
135.04602	3.0
138.97105	1.6
139.04036	2.2
143.03493	3.8
149.04552	15.8
153.01929	33.3
159.02992	2.4
160.01660	2.2
161.02412	2.7
161.04504	4.5
161.13315	7.6
161.97282	1.3
162.82413	1.2
175.04019	3.1
179.03397	2.0
179.05652	7.4
187.11296	3.1
191.05588	5.4
193.05060	7.9
205.12309	25.2
209.06682	8.6
238.98636	4.4
241.00232	4.6
249.11322	22.6
256.99734	10.4
270.37927	1.1
293.08633	1.5
332.42188	1.1
353.08804	1.4
360.19339	1.3
367.14084	6.7
371.09833	6.5
385.11298	6.6
415.23877	2.7
429.17587	24.5
435.18451	1.6
459.21918	1.5
511.18509	4.7
547.19971	74.7
547.27637	18.7
548.20459	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	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.0
69.03403	0.7
70.36945	2.1
71.01380	7.2
72.40845	0.6
72.99268	1.9
75.00870	11.5
79.95683	1.1
85.02905	2.3
87.00818	1.1
87.55897	0.6
89.02444	7.7
96.96002	7.7
98.95569	0.8
99.00875	0.8
101.02425	3.9
108.02174	0.6
109.02842	1.0
113.02409	2.4
117.01929	1.2
117.03418	2.6
119.03443	2.4
119.04980	0.6
131.03458	0.7
133.02896	1.7
134.03731	33.3
135.02994	42.4
143.03487	0.6
147.04539	0.7
148.05232	2.0
149.06129	3.2
161.02364	1.2
161.13361	3.8
178.05049	1.9
179.05516	2.2
186.69948	0.6
190.05063	0.8
191.05574	1.3
193.05032	31.7
194.05313	0.8
199.03946	1.8
200.04727	2.1
205.12340	5.5
209.06635	0.9
210.03296	0.6
211.03954	1.4
212.04347	0.9
227.03441	2.7
228.04236	6.2
233.99362	0.6
239.03484	1.9
241.00005	0.7
242.05806	2.1
243.06494	2.1
249.11194	3.4
256.03763	9.4
256.99640	1.4
257.08121	3.9
270.05286	1.8
271.06088	48.0
272.06439	2.2
285.07788	3.1
286.08429	35.2
287.08737	1.9
300.10043	1.4
301.10770	100.0
302.11096	5.3
342.13492	3.0
343.13669	6.0
353.08844	0.7
367.13950	1.0
385.12912	26.5
386.13489	1.1
429.17258	2.9
547.20410	21.0
548.20978	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	547.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.43135	0.7
57.03427	2.2
58.62330	0.6
59.01374	14.8
66.39536	0.7
69.03452	6.7
71.01373	24.2
72.01659	0.7
72.99307	11.6
73.02954	3.9
75.00865	0.9
79.01875	1.2
79.95758	1.0
83.01370	3.4
85.02944	15.7
87.00866	20.6
87.04507	2.7
89.02440	9.1
89.03966	1.9
95.01375	1.8
96.96019	5.9
97.02942	15.4
99.00877	2.4
101.02431	12.4
113.02431	12.9
115.03992	5.0
117.03449	5.9
119.03487	3.2
127.17113	0.7
129.01912	2.7
134.03731	69.9
135.04352	1.5
137.02415	1.9
141.01959	5.3
143.03455	1.4
149.06071	4.2
155.03510	1.7
159.02983	1.4
160.01646	3.9
161.02409	1.7
161.04529	5.8
166.85089	0.7
168.03764	0.8
173.04483	2.4
175.02660	0.7
175.04007	3.6
178.02715	2.1
179.05571	1.3
191.05640	4.0
193.05040	43.7
194.05363	1.7
205.12250	1.5
209.06612	1.1
215.71634	0.7
245.08308	1.1
277.22318	0.8
289.82816	0.8
291.07297	1.2
303.07181	2.3
337.03528	0.9
353.06937	1.1
353.10886	14.3
354.11105	0.8
371.11899	30.9
372.12106	1.0
480.96368	0.9
497.13000	1.3
547.16577	100.0
547.23035	4.7
548.16833	8.2
556.10406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01379	9.6
61.98830	3.8
67.01888	0.4
69.03454	0.9
69.94370	0.9
69.94781	1.5
70.45621	0.5
71.01381	7.6
72.99298	1.3
73.02944	0.9
77.24776	0.5
79.95756	0.9
81.03458	1.2
83.01387	1.0
85.02485	0.8
85.02950	5.4
87.00893	1.9
87.04507	17.5
87.05045	0.8
89.02441	5.7
93.03472	1.7
95.01402	2.1
96.96001	4.9
97.02943	1.5
97.32719	0.5
99.00877	2.7
101.02445	4.6
107.01341	0.6
108.02171	47.3
108.88366	0.5
109.02952	20.3
111.00880	0.6
113.02464	2.2
115.00368	0.8
115.03957	0.6
119.03510	1.1
121.02951	1.8
123.00847	0.8
123.04491	0.9
125.02415	1.8
129.01959	1.2
132.02133	1.2
134.03694	1.6
135.03001	1.4
137.02406	1.7
143.03566	0.8
149.04570	1.5
149.06078	0.6
151.03983	1.8
152.01140	69.7
152.44856	0.5
153.01933	15.9
159.02954	0.5
160.01634	5.3
161.02086	1.1
161.04521	0.8
162.02272	1.0
163.61873	0.5
165.01901	2.6
175.02470	1.4
175.03984	6.0
176.04338	1.6
179.05553	0.5
191.05627	1.2
193.04997	2.0
193.08713	1.4
195.02983	0.7
209.06660	1.8
209.75723	0.5
217.05023	1.3
233.07228	0.5
240.03510	0.5
245.09198	0.9
255.02945	0.9
256.99545	0.6
257.08191	0.5
261.04019	0.5
283.02463	1.5
284.03003	1.8
285.04062	3.0
286.04355	1.0
355.13785	1.0
385.11407	0.7
392.59570	1.0
397.85358	0.4
414.35480	0.6
459.11459	2.3
491.13034	0.5
503.71240	0.4
522.01648	0.5
546.64874	2.0
547.16498	100.0
548.16937	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	547.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27642	0.4
55.01866	0.9
57.00447	0.5
57.03449	5.3
59.01374	22.1
67.01890	1.3
67.63617	0.5
68.99806	1.3
69.03451	2.0
71.01375	15.9
72.99303	7.7
73.02940	1.9
75.00868	17.0
75.01288	1.1
78.95882	0.5
79.95742	1.3
83.01393	1.5
85.02943	30.8
87.00871	7.8
87.04517	4.9
89.02423	3.4
89.03960	1.1
93.03455	0.8
95.01376	5.3
95.18810	0.5
96.96006	5.6
96.96951	0.9
97.02967	3.1
97.06581	0.7
98.19806	0.8
99.00871	12.9
101.02445	1.9
103.00348	2.3
105.03425	0.5
111.00871	1.4
113.02439	23.2
115.00352	1.9
115.03997	2.2
117.01939	2.9
117.03471	3.5
119.02108	0.4
121.02946	88.7
122.03275	2.1
129.01932	5.2
131.03510	0.6
132.02142	2.2
133.02928	4.1
134.03732	35.0
135.04303	0.7
137.02399	0.8
138.01997	2.4
141.01949	0.9
145.65324	0.5
149.06041	3.4
155.10750	1.3
157.01379	1.0
160.01657	7.8
161.02400	2.4
169.12294	0.9
175.02448	3.3
175.03975	11.3
177.01920	0.6
179.03416	0.5
183.10246	4.2
184.97662	0.6
191.05623	4.0
193.03481	2.5
193.05034	20.6
209.06676	1.0
231.05080	1.6
241.00015	0.5
249.06094	10.3
276.06296	1.0
299.16510	7.8
313.03314	0.8
353.08572	3.0
355.24844	11.4
363.10864	0.7
366.09464	0.9
371.09775	100.0
372.10178	5.4
381.11765	0.7
407.09668	0.7
425.10767	7.0
436.15591	2.3
473.13129	0.5
529.13269	1.4
547.14465	60.4
547.20544	2.6
547.31158	42.2
548.14972	5.4
548.31616	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	547.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71900	0.8
54.97627	0.9
55.01886	1.2
57.03443	8.0
59.01375	8.4
61.98816	1.9
67.01874	1.3
68.99810	2.4
69.03448	2.1
69.39365	8.0
71.01379	7.5
72.99309	4.8
72.99667	1.1
73.02958	1.6
77.01640	0.8
79.01888	1.5
79.95740	1.1
83.01380	3.4
84.02171	1.8
85.02947	28.8
87.00871	12.5
87.04458	0.9
89.02439	2.8
89.03999	0.9
96.96008	7.1
97.02943	4.9
99.00874	4.4
99.04479	1.0
101.02436	1.6
107.05039	0.9
109.02928	1.2
109.75772	0.9
111.00871	3.9
115.04005	1.8
117.03464	5.8
126.34564	0.9
129.01936	24.0
133.02948	14.1
134.03729	74.0
135.04521	61.8
136.04852	3.2
137.02438	0.8
141.01924	3.6
149.06058	6.4
155.03471	1.0
159.02983	7.5
160.01605	1.1
161.02438	44.0
162.02721	2.9
173.04559	1.4
175.03940	3.1
178.02618	1.1
179.03487	27.8
191.05580	11.8
193.05040	87.9
194.05377	2.6
209.06642	100.0
221.04459	0.9
233.04668	1.0
241.00301	2.1
277.07321	1.4
321.05930	1.5
353.08740	56.9
354.09076	3.3
367.09216	1.3
371.09781	63.1
372.10114	2.3
385.11368	50.2
386.11685	2.8
499.91205	1.1
546.28351	1.4
547.13983	8.3
547.28546	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	546.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76880	0.3
55.01869	0.7
57.03445	5.0
57.40071	0.3
58.02973	0.3
59.01377	4.8
61.36917	0.3
61.98800	0.4
67.01884	0.5
68.99798	0.9
69.03445	2.9
71.01378	4.8
72.99304	1.4
73.02953	0.4
74.49518	0.3
75.00871	0.4
79.95748	0.4
83.01383	2.2
83.05022	0.5
84.02163	1.1
85.02943	15.6
87.00867	7.4
87.01363	0.7
87.04504	1.1
89.02441	1.3
93.03452	0.5
95.05033	0.5
96.96000	2.0
97.02953	3.7
98.19814	0.8
99.00856	2.8
101.02417	1.1
109.06596	0.6
111.00874	2.2
112.11317	0.4
113.02442	0.7
115.04005	1.1
128.10797	1.4
129.01936	11.9
130.08728	71.4
131.09113	1.8
134.03737	0.8
135.04509	1.5
137.02444	0.4
141.01921	1.5
147.04443	0.4
148.05307	3.4
149.06047	0.4
149.09720	0.5
151.11281	1.0
159.02972	3.3
161.09677	0.5
177.04196	0.6
178.05103	2.5
179.10725	1.3
190.05046	1.1
191.05579	2.4
197.11760	0.5
209.06642	47.6
210.07014	1.0
218.19182	0.4
223.09760	0.7
230.19075	0.4
245.41902	0.4
248.20236	1.8
274.18146	1.1
292.19122	5.5
310.20200	5.7
326.24976	0.4
327.11096	1.1
336.18161	3.5
342.10187	0.3
342.13422	8.6
354.19177	10.7
528.24341	1.7
546.25513	100.0
547.25922	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	547.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67698	0.6
55.01872	0.6
57.03446	5.6
59.01373	6.8
61.98818	0.9
63.98131	0.5
67.01895	0.6
68.99799	1.1
69.03439	2.0
71.01376	6.7
72.99290	2.4
73.02950	1.5
75.00908	0.7
79.95727	6.2
80.96518	1.1
82.95422	0.7
83.01379	2.3
84.02141	0.6
85.02431	0.9
85.02944	18.9
87.00864	5.9
87.04504	1.3
89.02443	3.5
95.95267	0.5
96.96004	17.8
97.02956	5.2
98.95567	0.7
99.00877	4.4
101.02444	2.9
111.00858	3.3
113.02438	2.5
115.04002	2.4
117.03443	3.9
121.02924	1.3
129.01932	14.5
133.02928	1.9
134.03732	37.7
135.04546	7.3
137.02399	0.7
138.97049	0.7
141.01918	2.6
145.10603	0.6
149.04524	0.7
149.04761	0.8
149.06081	9.1
153.01817	0.7
159.02980	3.0
160.01628	1.8
161.02423	4.8
175.03990	2.9
178.02689	0.6
179.03482	4.7
179.07086	1.9
191.05582	7.3
191.07143	0.9
193.05042	35.0
193.08759	1.8
194.05415	1.3
209.06638	36.5
229.58623	0.6
233.08273	0.8
238.98578	0.8
241.00169	2.6
256.99756	2.8
279.24350	0.7
303.61572	0.6
343.15521	3.6
353.08813	1.7
360.09888	4.2
360.60013	1.1
371.09714	1.6
385.11365	100.0
386.11655	4.8
427.84848	0.7
511.18472	1.3
546.70752	0.9
547.15845	9.5
547.28302	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24847	0.6
55.01871	0.9
56.39832	0.6
57.03453	4.1
59.01377	3.2
65.50112	0.5
68.99796	1.0
69.03427	1.7
69.51849	3.2
69.52261	0.9
71.01370	5.6
72.99311	2.9
73.02895	0.6
83.01385	2.4
85.02946	17.5
85.24371	0.6
87.00874	4.2
87.04494	1.2
89.02454	1.6
89.03938	0.7
94.80876	0.6
96.95988	1.8
97.02953	4.7
99.00883	3.9
101.02418	0.6
111.00861	2.4
113.02417	1.3
115.03983	2.3
117.03407	3.3
117.20968	0.6
129.01923	14.0
133.02974	2.9
134.03729	38.7
135.04552	5.2
137.02460	0.9
141.01941	1.7
149.06065	3.2
159.02983	2.8
160.01608	0.9
161.02441	6.5
175.03946	2.4
178.02657	0.8
179.03481	3.1
191.05595	6.2
193.05034	33.8
194.05432	0.8
209.06635	34.5
210.07069	0.6
353.08667	1.1
371.09460	0.7
385.11356	100.0
386.11826	4.2
547.14557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	1.0
57.03450	2.3
59.01382	10.7
61.98810	2.0
65.00322	1.9
65.42287	1.1
68.99818	1.2
69.03459	2.7
70.99871	3.2
71.01373	6.3
72.99301	2.0
73.02912	1.4
75.00876	2.0
79.95735	4.9
80.96516	1.3
85.02946	6.6
87.00891	3.3
87.04511	1.4
89.02441	3.9
95.95257	1.7
96.96011	19.8
97.02931	2.0
99.00887	2.4
101.02427	3.2
110.00087	6.1
110.00783	1.1
111.00880	3.7
113.02421	1.7
117.03446	2.6
121.02943	1.9
127.38074	1.1
129.01930	4.7
132.02168	1.2
133.02884	1.9
134.03732	15.0
135.04521	22.6
135.05486	2.1
136.04839	2.2
136.98834	3.8
138.97061	1.5
139.00313	2.3
141.01878	1.5
149.06059	2.4
156.79985	1.2
159.02972	2.5
160.01628	4.4
161.02414	8.2
165.99051	8.4
175.03978	5.2
179.03496	2.5
185.02469	2.0
187.03961	1.4
191.05580	2.4
193.05064	13.5
200.04770	3.6
209.06618	10.7
210.50981	1.3
211.03979	2.2
212.04802	4.8
214.02718	4.6
228.04288	1.5
238.98491	2.0
246.07950	1.3
255.02972	2.0
256.03741	1.5
256.99759	5.8
264.08722	4.3
265.05023	1.4
277.96735	1.2
283.02536	1.6
284.03232	100.0
285.03900	12.3
296.85440	1.3
299.05573	63.7
300.05978	2.9
342.11682	1.9
353.08664	2.9
371.09830	4.1
385.11404	16.3
426.13770	1.5
465.65820	2.3
493.17392	3.8
503.11935	31.6
504.12134	2.1
546.68243	4.1
547.17407	6.4
547.31226	1.7
547.68085	1.2
548.18402	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	546.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55418	0.6
57.03443	5.1
59.01370	12.6
59.65726	0.7
61.98808	1.5
67.01894	0.7
69.03440	1.4
69.27681	2.7
69.28115	3.9
71.01373	8.4
72.99303	1.3
73.02903	1.5
74.94479	0.9
75.00859	1.4
79.95736	1.5
83.01376	2.7
83.05021	0.8
84.02176	1.7
85.02946	18.4
87.00871	9.6
89.02437	5.0
93.03455	4.8
95.01401	0.8
96.96006	12.2
97.02964	1.9
97.93025	0.7
98.95568	0.9
99.00851	3.4
101.02452	3.7
109.02959	1.0
111.00862	3.0
111.82298	0.6
113.02409	2.2
117.57942	0.7
119.43865	0.7
128.10805	1.3
129.01933	16.6
130.08727	70.2
131.03471	0.7
131.09074	1.9
134.03729	4.8
135.02992	2.1
135.04501	7.3
137.02420	9.4
141.01952	1.2
147.04482	1.4
148.05292	10.9
149.04550	0.9
149.06018	3.9
150.03139	0.9
151.11272	1.1
159.02965	4.9
161.02368	1.2
176.03552	1.7
177.04224	1.8
178.05083	10.9
179.10797	1.2
190.05020	3.9
191.05630	1.6
192.06718	0.9
193.05038	1.3
205.12448	1.0
209.06635	100.0
210.06943	3.3
211.07076	1.0
230.19177	0.9
246.07767	0.7
248.20139	1.1
249.11150	1.5
271.67715	0.7
292.19147	2.9
293.02521	0.7
306.09833	1.1
310.20181	6.7
327.11121	5.1
336.18204	3.2
342.13403	38.7
343.13647	2.5
354.19165	25.5
355.19345	1.5
374.73331	0.7
385.11990	0.9
429.17313	1.2
449.14886	1.8
486.17572	4.1
503.56668	1.1
528.24249	1.1
546.25507	51.0
547.16803	1.5
547.26349	6.9
558.24780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3478
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
57.16949	0.3
59.01374	100.0
60.01712	0.7
61.98822	0.9
69.65479	1.3
69.65888	0.9
74.18286	0.4
95.61392	0.3
96.96049	0.5
112.25852	0.4
113.52087	0.4
174.75923	0.4
217.00357	0.6
240.29503	0.4
339.61099	0.4
405.31839	1.5
423.32657	1.7
437.30417	0.8
485.32687	11.3
486.33411	1.0
545.34503	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	546.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49345	0.2
59.01382	1.3
61.98825	0.4
69.29041	1.7
71.01385	0.8
73.02924	0.2
75.00852	0.3
79.95738	0.3
84.60356	0.2
84.84158	0.1
85.02945	0.6
87.00858	0.2
88.98808	0.2
89.02419	0.9
96.96007	2.0
97.02962	0.2
99.00877	0.2
101.02439	0.6
105.03421	0.3
109.02928	0.8
113.02425	0.3
121.02950	0.4
122.03726	0.5
123.04523	0.6
124.01626	0.5
129.01962	0.2
130.08739	0.8
133.02933	0.6
134.03738	4.2
135.02942	0.6
135.04512	12.4
136.04008	0.3
136.04921	0.2
137.02402	0.3
147.04506	4.4
148.05289	34.1
149.04691	0.5
149.06067	3.4
150.01973	0.2
150.03169	0.4
150.05544	0.4
151.06416	0.2
160.01625	0.2
160.04010	0.4
161.02386	0.9
162.05594	0.2
162.06815	2.2
163.06355	0.7
175.02666	0.2
175.04016	0.3
176.03499	4.2
177.04301	3.1
178.05078	27.3
179.05431	0.9
189.04274	0.5
190.05077	9.6
191.05537	0.5
192.06668	2.0
202.04926	0.2
204.06581	0.8
205.12224	0.5
209.06622	0.8
238.96001	0.2
241.00134	0.3
249.11278	0.4
267.06705	0.3
269.08005	0.3
283.09723	1.3
284.10309	0.2
285.12424	0.2
311.10452	0.2
312.08746	0.2
319.61386	0.2
326.10275	0.8
327.11078	11.4
328.11334	0.8
342.13406	100.0
343.13751	5.5
354.19141	0.2
384.14410	0.4
429.17465	0.5
469.61096	0.2
486.17435	0.3
504.18979	0.3
546.18842	1.8
546.26416	0.5
547.20306	0.7
547.27814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01378	2.9
61.58851	0.2
61.98808	0.4
64.93935	0.2
69.03461	0.4
71.01374	1.6
71.63372	0.4
72.99302	0.3
73.02928	0.4
75.00868	0.2
79.95737	0.7
80.96515	0.3
83.01396	0.3
85.02964	1.0
85.69955	0.2
87.00854	0.4
88.04080	0.2
88.82015	0.2
89.02439	2.6
91.05517	0.2
93.03470	0.3
96.96007	3.5
97.02953	0.3
99.00869	0.8
101.02453	1.3
105.03490	0.2
107.05032	0.5
108.02177	0.6
109.02949	1.3
111.00882	0.3
113.02450	0.6
119.03528	0.2
121.02939	0.6
121.33951	0.2
122.03763	0.4
123.04575	0.5
124.01657	0.4
125.02466	0.2
129.01915	0.4
130.08740	2.1
131.03506	0.2
133.02931	0.7
134.03741	5.7
135.04523	12.6
136.04033	0.4
137.02448	0.6
139.74857	0.3
143.49931	0.3
147.04524	4.6
148.05298	35.5
149.04689	1.1
149.06058	5.3
150.02010	0.3
150.03191	0.6
150.05545	0.4
153.01935	1.3
160.01642	0.4
160.04053	0.2
161.02408	0.9
162.05574	0.3
162.06833	2.9
163.06320	0.7
175.02684	0.3
175.04024	1.0
176.03490	3.9
177.04303	2.9
178.05083	27.5
179.05434	0.9
185.62039	0.2
189.04274	0.6
190.05089	9.2
191.05603	0.8
192.06639	2.6
193.05060	0.7
202.05035	0.4
204.06641	1.2
209.06563	1.1
232.82816	0.3
241.00204	0.3
256.99622	0.7
280.85654	0.2
283.09677	1.4
292.95352	0.2
312.08862	0.3
324.82852	0.2
326.10361	0.9
327.11075	11.9
328.11569	0.9
342.13416	100.0
343.13754	6.3
354.19153	0.6
486.17664	0.4
508.21075	0.4
511.18265	0.5
546.26129	2.2
546.66138	0.4
547.15680	0.5
547.27399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03446	4.4
58.00579	0.5
58.02974	1.9
59.01375	7.6
59.01842	0.5
61.98826	0.5
65.00317	0.8
67.01884	0.5
68.99811	0.7
69.03445	1.4
69.66360	2.7
71.01384	4.6
72.99311	1.3
73.02958	0.9
75.00869	0.5
79.95741	0.6
81.03434	2.6
83.01378	2.0
84.02168	0.7
85.02950	18.0
87.00869	6.7
87.04514	0.8
89.02450	1.3
93.03458	0.6
95.05000	1.1
96.95996	3.7
97.02945	3.4
98.19924	0.9
99.00897	1.4
101.02441	1.3
107.01415	1.2
109.06587	1.7
110.09751	2.3
111.00884	2.6
113.02420	1.0
115.04000	1.2
123.04525	1.3
128.10805	7.6
129.01932	11.4
130.08730	84.6
131.09105	0.9
134.03712	1.5
135.04048	0.8
135.08133	2.4
141.01935	1.6
141.05515	0.6
141.98976	0.5
149.06070	1.2
151.00362	3.6
152.00693	1.8
152.10754	0.4
154.08714	5.2
154.48566	0.4
156.06633	0.9
159.03003	3.3
159.08165	0.5
170.14191	0.5
172.09792	2.5
177.09204	2.2
179.07156	0.9
181.08702	0.7
191.05583	2.0
209.06642	52.3
210.06947	0.9
241.00171	1.5
242.00560	0.6
246.18573	2.1
290.17523	2.7
301.07184	5.6
302.07501	10.3
303.07874	0.6
308.18640	3.5
334.16537	5.1
352.13376	0.8
352.17606	13.5
353.17996	0.8
430.17328	0.8
526.22827	1.9
544.23889	100.0
545.24255	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
60.99304	13.6
62.93447	0.2
69.48270	1.7
71.01374	1.0
72.99318	0.3
73.02935	0.3
78.95914	0.3
79.95736	0.6
85.02948	0.6
86.03300	0.3
87.00858	0.5
88.00407	0.8
88.98799	100.0
89.02437	3.2
89.99123	0.4
96.96004	4.6
97.02932	0.4
99.00887	0.6
101.02441	0.4
105.25648	0.2
119.03567	0.3
129.01936	0.5
130.62637	0.2
134.03731	0.3
135.04478	0.6
137.02434	0.2
148.05286	0.7
160.01634	0.3
178.05043	0.5
191.05539	0.5
192.05989	0.2
262.04300	0.3
281.32349	0.3
328.11401	0.5
342.13464	2.5
343.13763	3.2
347.16882	0.4
349.18011	0.6
541.15863	0.4
541.25092	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	543.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81664	0.6
57.03426	0.8
59.01376	19.5
61.98821	1.6
69.03435	1.1
71.01378	10.9
72.54527	0.7
72.99301	9.5
73.02930	1.7
75.00871	8.0
79.95741	4.2
79.96122	0.6
80.96508	2.4
81.03466	1.4
81.60431	0.7
83.01389	1.5
85.02953	5.1
87.00877	4.4
87.04483	0.9
88.04054	0.9
89.02440	12.1
95.01418	1.0
96.96005	62.7
98.95586	1.6
99.00898	1.3
101.02443	6.4
103.00351	1.9
113.02441	5.8
119.03524	4.4
125.02463	3.7
130.99841	6.1
131.03496	1.1
138.97034	2.0
143.03464	1.2
150.97092	1.3
152.75687	0.7
156.49118	0.7
161.04501	1.8
165.82788	0.7
168.14384	0.8
179.05576	2.5
191.27733	0.8
221.06630	1.1
227.59984	0.9
235.29288	0.7
241.00227	5.0
263.07709	1.3
313.74695	0.7
323.09729	2.1
381.19107	0.9
432.20779	1.0
455.35397	1.0
543.28308	100.0
544.28632	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	541.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36314	1.5
59.01377	3.8
61.31461	1.4
65.03950	5.4
65.63456	1.3
67.01891	1.6
69.46810	12.0
71.01370	3.6
72.48072	1.5
79.76083	1.4
79.95737	3.1
80.60531	1.7
85.02935	2.5
87.00857	2.9
89.02437	3.9
91.01880	2.9
96.95995	23.3
98.19836	2.6
102.85820	1.4
109.02945	30.7
113.02460	1.7
120.22546	1.5
120.99625	2.5
129.01903	1.7
135.00876	9.3
135.04491	4.5
136.99133	1.8
138.97046	1.7
150.03204	5.7
153.01926	100.0
154.02309	1.5
159.84491	1.4
161.02441	2.5
165.05504	4.0
195.06592	4.8
208.74850	1.3
209.06593	2.3
230.08287	4.3
241.00246	2.5
256.99612	3.0
267.18021	1.9
322.52026	1.8
396.96738	1.5
497.27151	2.8
541.15295	10.7
541.30505	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	541.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	7.9
59.01367	4.9
61.98829	1.1
67.01894	0.7
68.90152	0.7
68.99822	1.9
69.03459	4.8
69.53734	5.4
71.01380	6.6
72.99300	6.3
73.02955	1.0
79.01882	3.4
81.03457	1.3
83.01392	2.2
83.05025	14.3
85.02950	9.6
87.00876	4.4
88.28757	0.6
89.02450	1.1
89.03973	1.3
95.01398	1.0
96.96004	14.0
97.02951	6.7
98.95594	8.8
98.96241	0.9
98.96352	0.7
99.00887	2.2
99.36909	0.7
101.02459	1.5
109.06606	3.9
111.00869	2.3
111.08153	100.0
112.08488	2.0
113.02444	0.9
117.03447	3.8
123.04445	0.7
123.64306	0.7
129.01959	6.0
129.09207	4.9
132.02179	3.4
133.02968	2.0
134.03735	61.0
135.04248	1.0
137.02473	1.1
141.01918	5.3
149.06088	13.1
155.03528	3.4
159.02968	2.8
160.01646	22.7
161.02307	2.2
173.04655	6.0
173.08179	98.6
174.08539	2.0
175.03998	26.5
176.04666	1.8
178.02690	5.2
191.05609	8.2
191.07178	1.6
193.05048	53.1
194.05344	1.1
202.06349	0.9
203.07191	0.7
209.06599	6.8
217.08681	2.0
233.08125	4.5
235.06087	2.4
241.00266	4.7
242.00493	1.7
242.99734	7.2
245.08121	0.7
247.05988	0.8
256.99564	0.9
261.07681	2.4
275.05591	1.8
279.02948	2.1
291.08563	1.4
297.04022	1.5
297.09497	0.8
335.07782	4.5
347.13370	2.4
352.18390	0.7
365.14484	14.4
367.10294	78.0
368.10477	3.4
385.11389	9.2
398.84018	0.9
541.05145	2.5
541.19135	51.5
542.19141	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	541.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21043	1.4
58.02974	2.9
59.01374	46.6
61.98825	4.1
70.02971	1.6
71.01392	4.1
72.99306	5.6
74.02460	11.7
79.95749	3.3
80.96525	2.0
85.02927	3.5
87.00870	2.8
93.03441	4.8
96.96003	39.0
98.02457	2.3
101.02409	2.1
113.30576	1.6
116.03531	3.6
116.05047	4.6
119.05022	6.0
123.05598	1.5
124.33350	1.5
124.71342	1.5
133.02873	2.4
134.03653	1.7
135.04506	4.8
137.02440	6.3
147.04512	100.0
154.01370	1.8
161.02437	14.1
165.05556	84.7
166.05888	2.0
179.03442	2.0
189.96967	1.3
203.08241	12.7
207.06596	54.4
208.06833	2.5
209.06516	1.9
241.00175	5.6
245.09276	30.5
246.09532	2.4
256.99707	2.2
305.17346	1.6
323.07626	7.8
403.03210	4.8
541.06573	21.2
541.17853	2.6
541.24316	5.0
542.07166	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	541.0653
Annotation	Isoscutellarein 4'-methyl ether 8-(2''-sulfatoglucoside)
Peak:m/z	Relative Intensity
59.01374	1.2
66.80354	0.3
67.01931	0.4
69.59718	2.0
71.01363	2.7
72.99299	0.4
73.02946	0.6
73.05193	0.4
79.95737	4.6
80.96516	3.9
83.01401	1.0
84.35741	0.3
85.02955	0.8
87.00871	0.9
90.85384	0.3
93.03452	0.6
95.01376	1.1
95.95245	0.4
96.96001	100.0
99.00887	0.4
101.02448	1.6
107.01365	0.4
110.00090	0.8
113.02437	1.0
117.03465	0.5
119.05006	1.5
120.39700	0.3
122.97564	0.8
123.00874	1.2
125.02434	1.8
136.98799	0.4
138.97066	9.7
143.03513	0.9
145.02963	0.5
150.97018	0.9
151.00415	0.6
153.01929	10.9
164.98633	0.9
165.99031	1.0
167.46616	0.3
168.98111	0.8
180.98099	1.5
189.75896	0.5
193.01521	0.4
199.00632	0.4
200.04839	0.5
212.04750	1.1
214.02757	0.5
222.99127	2.1
241.00201	91.8
242.00560	1.8
284.03238	11.6
285.03455	0.7
299.05582	18.5
300.05942	0.7
328.71167	0.4
371.07520	0.5
379.01288	3.6
380.01563	0.5
461.10797	2.0
541.06531	20.9
542.06677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.9
59.01361	0.5
68.40716	0.6
71.01380	2.0
71.25462	0.8
72.00904	11.2
85.02958	0.5
87.00895	1.0
96.95990	0.9
98.95671	0.4
101.02442	0.8
103.05537	1.3
113.02439	1.1
119.04986	0.6
121.02958	0.9
126.52890	0.4
133.40794	0.4
137.06116	0.4
145.02905	1.3
146.03691	0.4
147.04512	36.3
148.04887	1.2
149.02438	8.9
150.03203	15.2
159.02988	0.4
161.02408	1.3
161.04498	2.4
162.03198	1.9
163.04007	0.6
164.04805	6.2
164.07147	100.0
165.05551	39.8
165.07498	1.7
166.05898	0.8
177.05573	0.7
180.04269	2.0
195.06618	18.9
196.07030	0.6
241.83730	0.5
327.10834	15.3
328.11179	0.6
339.10776	0.5
357.11880	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	4.3
59.01376	20.7
61.98823	5.3
69.03443	5.8
69.24938	13.3
69.25368	17.9
71.01376	10.3
72.99303	7.0
75.00858	4.0
78.95890	12.9
79.95742	6.2
83.68922	3.3
85.02956	17.3
87.00882	6.4
89.02501	3.3
96.95979	25.9
97.02943	6.4
98.20565	7.6
99.00867	3.4
101.02441	5.3
104.69547	2.9
111.00877	5.7
113.02453	5.8
117.03436	3.1
127.07648	17.3
129.01949	10.3
133.02885	3.1
134.03725	86.8
141.01936	7.1
145.31310	3.8
149.06035	25.8
150.03220	7.5
155.81958	2.8
160.00487	4.8
160.01625	25.1
165.05595	8.2
166.05888	3.3
171.06609	64.6
173.04507	4.1
175.03995	26.5
178.05118	4.1
191.05560	11.4
193.05037	71.0
195.06551	3.8
209.06630	24.9
233.08305	3.4
241.00217	3.4
256.99756	4.0
335.07739	5.5
342.13412	6.3
343.13980	6.6
363.12906	7.6
367.10272	96.7
368.10788	3.7
385.11301	53.9
409.79047	3.4
435.09021	4.0
491.18903	7.3
539.19238	13.2
539.27808	100.0
540.20239	4.1
540.28223	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	539.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58117	0.7
59.01374	1.2
61.98812	1.4
65.38824	0.6
66.44035	0.8
71.46834	1.0
74.07288	0.8
78.95898	13.1
79.95724	3.6
96.96008	100.0
96.96909	10.0
110.02476	2.5
111.02005	0.9
114.43715	0.7
117.52457	0.6
118.74676	0.7
152.99582	10.8
171.00612	2.2
177.40042	0.8
182.02213	0.8
209.70979	0.8
217.00389	0.8
227.03291	1.4
245.04297	12.0
253.21825	5.1
481.25693	16.3
503.27713	2.4
539.21600	5.0
539.30096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45338	0.4
55.01865	1.5
57.03444	4.7
58.00592	1.4
59.01375	20.6
61.98841	0.9
67.01879	0.9
68.99808	1.2
69.03448	3.0
69.35831	4.5
71.01378	20.5
72.99304	5.1
73.02938	2.5
74.99084	0.5
79.03374	0.4
79.59693	0.4
79.95727	1.7
80.96560	0.6
83.01367	3.1
84.95111	1.0
85.02943	18.6
87.00864	15.5
87.04518	2.0
88.00394	1.0
89.02438	9.3
94.67249	0.5
95.01374	1.4
96.95995	4.8
97.02947	6.6
98.20629	1.1
99.00872	5.3
101.02441	9.4
109.02911	0.5
111.00885	2.4
113.02456	5.2
115.03986	3.2
119.03500	3.0
129.01935	8.4
134.03729	0.5
135.04518	1.2
141.01895	3.0
148.05284	1.3
149.04466	0.5
159.02995	1.3
167.10764	5.5
178.05070	0.9
183.80344	0.5
185.11829	7.4
190.05080	0.5
191.05608	6.4
209.06662	3.2
241.00227	0.6
256.99802	0.8
300.50742	0.5
327.11133	0.7
329.16003	1.6
334.09360	0.7
342.13419	8.4
347.17078	29.8
348.17609	1.1
377.96002	0.5
458.13449	0.7
489.19775	4.5
490.20126	0.5
538.65277	2.7
539.23425	100.0
540.16016	0.3
540.23712	8.1
553.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03445	3.8
59.01373	18.5
63.16356	0.4
67.01877	1.1
68.99816	1.5
69.03453	3.0
69.35696	1.7
69.36121	1.9
71.01376	17.4
72.99296	4.6
73.02947	2.2
74.99091	0.5
79.95728	1.2
83.01375	3.4
84.95093	0.8
85.02945	17.9
85.47210	0.4
87.00867	13.3
87.04510	1.6
88.00394	0.8
89.02441	10.3
95.01372	1.0
96.95995	4.3
97.02943	5.6
98.20589	0.9
99.00874	5.5
101.02429	8.0
104.80865	0.4
111.00854	2.2
113.02443	4.4
115.04000	2.6
119.03485	3.0
124.60728	0.4
129.01933	6.5
134.03741	0.5
135.04527	1.1
141.01903	2.8
148.05310	1.2
148.69173	0.4
157.46432	0.4
159.03000	1.0
167.10762	5.0
178.05055	0.9
185.11795	5.6
191.05583	5.1
196.87935	0.5
209.06635	2.0
241.00206	0.8
256.99762	1.1
329.16129	1.1
342.13409	6.7
347.17062	27.2
348.17340	1.2
359.16025	0.6
377.17120	0.6
489.19778	3.5
492.20667	0.4
538.65662	1.4
539.23431	100.0
540.15814	0.5
540.23773	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.6
58.00577	1.1
59.01098	1.2
59.01378	26.0
69.34443	6.3
69.34924	3.5
71.01379	28.2
72.99294	4.3
73.02926	3.4
78.95892	8.1
83.01370	2.4
85.02948	11.9
87.00867	10.7
89.02435	44.0
91.25591	1.1
92.92793	2.9
94.31649	1.2
94.92500	3.2
95.01366	4.0
96.95978	3.0
96.96940	2.2
97.02953	1.9
98.20766	2.1
101.02438	21.6
108.90163	3.5
109.55504	1.4
110.89889	4.6
111.00871	1.4
113.02441	28.6
119.03487	8.2
125.02435	2.0
126.03653	1.3
131.03424	3.1
143.03474	3.7
161.04553	19.0
165.03444	1.1
174.59035	1.2
179.05589	38.0
189.91978	1.0
190.93452	1.2
197.15466	1.1
203.66602	1.2
209.06818	1.4
210.96237	1.0
221.06627	20.0
233.06723	1.5
248.90608	1.1
281.08792	1.8
282.78079	1.2
284.89682	1.4
323.09854	5.2
341.10873	8.6
377.08441	13.0
383.11914	6.4
503.16113	100.0
504.16602	5.2
504.98212	1.3
539.13763	59.9
540.13916	4.1
543.74249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
63.01344	0.3
65.00346	0.5
67.01888	0.4
68.99801	0.4
69.03445	0.6
71.01374	2.9
71.22559	0.3
72.99309	1.2
73.02944	0.6
75.00871	1.1
78.95902	3.2
79.95731	4.9
80.96512	3.4
83.01385	0.6
85.02943	1.5
87.00874	1.2
89.02439	0.6
91.26649	0.3
95.01400	0.5
95.95226	0.7
96.96004	100.0
97.02916	0.4
99.00870	0.6
101.02448	1.5
111.00849	0.5
113.02422	1.2
115.99549	0.3
122.97555	0.5
125.02486	0.3
127.07632	0.8
134.03712	0.6
138.96014	0.6
138.97064	10.0
138.98097	0.6
143.03514	0.7
150.97038	1.1
151.00317	0.5
164.98659	0.9
168.98097	1.1
171.06592	0.3
178.99834	0.9
179.98956	0.3
180.98097	0.6
185.02357	0.6
193.04976	0.3
198.99150	1.1
222.99193	1.7
223.03877	0.9
235.03908	0.5
237.01863	0.5
241.00206	85.4
242.00464	2.1
251.03409	3.8
251.24977	0.4
259.01205	3.9
269.04510	0.7
279.02966	14.0
280.03287	0.7
297.04013	16.5
298.04254	0.6
321.04156	0.5
363.13000	0.5
367.10126	0.7
380.36298	0.5
441.08112	0.6
458.19434	0.5
459.09128	1.8
521.03851	3.5
539.04907	19.4
540.05176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86148	0.9
57.03438	4.0
59.01367	9.1
61.98844	1.7
67.01878	1.3
68.99805	2.7
69.03457	6.8
71.01371	10.1
71.72478	1.1
72.99296	9.8
73.02942	1.5
75.00861	3.0
78.95894	7.4
79.01869	2.7
79.95728	3.3
80.96500	3.3
83.01395	2.5
85.02946	16.5
87.00859	6.5
87.04528	2.1
89.02409	1.2
89.03964	1.3
96.96001	54.2
96.96963	2.9
97.02939	7.1
99.00867	4.3
101.02447	1.1
109.06575	8.7
109.09524	0.9
111.00874	3.5
111.04434	1.4
113.02431	2.2
115.03978	2.2
117.03440	5.3
127.07641	100.0
127.96723	0.9
128.07993	2.7
128.81210	1.3
129.01941	12.3
132.02136	3.1
133.02908	2.1
134.03732	77.4
135.04103	1.8
137.02417	2.0
138.97067	5.5
141.01923	5.7
149.06064	15.5
155.03459	2.8
159.02969	3.4
160.01646	20.2
161.02382	1.7
164.98605	1.1
171.06613	57.3
171.62328	1.0
173.04521	6.6
175.03992	28.3
176.04585	1.7
178.02702	4.2
179.03415	1.1
191.05632	11.6
191.07182	1.2
193.05037	63.5
194.05440	1.8
209.06650	20.5
217.08635	2.8
222.99066	1.7
233.08151	4.1
235.06062	3.1
241.00180	42.0
242.00467	1.4
251.03227	2.0
261.07626	2.6
279.02972	6.9
291.08826	1.7
295.07971	1.4
297.03979	4.9
335.07742	6.9
336.08398	1.1
345.11813	3.1
363.12775	11.7
367.10275	82.7
368.10522	4.2
385.06369	2.3
385.11359	43.3
386.11472	1.7
458.69272	2.6
459.09238	1.1
521.04016	1.3
521.16614	1.4
539.05414	7.2
539.17340	31.4
540.18085	3.5
567.96997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61881	0.3
59.01373	7.7
71.01380	4.7
72.99291	0.5
73.02922	0.5
75.00884	0.4
78.94463	0.4
78.95873	0.7
79.95721	4.4
80.96512	3.9
83.01388	0.4
85.02940	1.0
87.00886	0.7
89.02435	3.5
95.95197	0.7
96.96001	100.0
98.19861	1.6
98.95607	0.4
101.02437	2.6
113.02468	2.0
119.03493	0.9
138.97058	22.8
150.97037	0.6
157.77211	0.4
164.98589	0.6
168.98096	2.8
180.98184	0.6
182.03644	0.5
198.03229	0.5
198.99153	22.5
222.99123	1.1
223.03932	1.4
225.01895	0.8
226.02521	0.4
235.03990	0.8
237.01888	0.7
241.00203	38.4
251.03477	5.8
253.01370	1.3
256.99832	0.6
259.01245	96.5
260.01547	2.4
279.02954	24.7
280.03250	1.4
282.01547	2.9
297.04034	5.1
309.47937	0.4
335.22278	2.8
459.09277	15.3
460.09708	2.0
495.18903	0.5
538.24689	0.7
538.96765	0.7
539.04956	14.2
539.22821	2.2
540.05426	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.44805	0.5
57.03439	5.0
57.25792	0.6
58.00588	1.4
59.01376	33.2
60.01685	0.7
61.98843	1.1
62.62456	0.6
67.01890	1.3
68.99811	1.8
69.03452	3.7
71.01378	22.2
72.99303	5.4
73.02939	2.2
74.85706	0.6
75.00867	1.1
79.95731	0.7
83.01398	3.1
85.02942	21.4
87.00877	6.1
87.04510	1.2
88.98837	1.1
89.02439	19.5
89.62658	0.6
93.03427	0.7
93.12193	0.5
95.01384	1.5
96.96014	4.3
97.02939	6.3
99.00882	4.1
101.02439	10.7
111.00880	2.7
113.02442	8.5
115.03987	2.5
119.03500	7.1
121.10236	5.0
123.04495	0.8
129.01938	9.1
132.04572	2.2
133.05074	0.7
134.06139	1.4
135.72746	0.6
137.02405	0.7
141.01930	2.5
141.31648	0.6
143.03484	0.8
148.60251	0.6
149.02423	2.3
150.03226	7.1
153.05606	0.8
159.02966	1.5
161.04532	1.3
164.04749	1.2
165.05566	5.8
165.09222	2.7
179.05597	1.9
179.07059	0.7
183.10249	1.0
191.05623	6.6
193.05118	0.7
195.06599	2.5
209.06715	3.5
229.67926	0.6
281.82614	0.6
301.11871	1.2
327.12433	2.1
345.11118	1.0
345.15494	13.6
366.15533	0.7
461.18472	1.3
487.17917	3.6
489.17615	1.4
505.17236	7.2
537.21838	100.0
538.14929	0.9
538.22229	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	537.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03445	4.8
58.00583	1.2
59.01375	23.0
61.98823	1.7
67.01888	1.2
68.99828	1.4
69.03446	3.0
71.01379	19.1
71.62676	0.6
72.97486	0.4
72.99306	5.4
73.02940	1.7
75.00871	0.7
79.95724	0.4
83.01382	3.1
85.02949	19.8
87.00875	5.5
87.04498	1.7
89.02441	13.9
93.03438	0.5
94.94456	0.4
95.01372	1.1
96.95998	3.8
97.02950	6.2
99.00881	4.0
101.02436	8.9
107.05031	0.9
111.00909	2.6
113.02448	6.5
115.04006	3.1
118.95563	0.4
119.03496	5.7
119.04929	0.4
120.01257	3.2
121.10228	18.0
129.01936	8.3
133.02953	0.5
134.03743	1.6
135.04521	4.8
137.02359	0.7
138.83978	0.4
141.01923	2.8
143.03503	0.4
149.04556	0.7
149.05850	0.4
150.03204	0.8
151.04060	0.5
157.49800	0.4
159.03006	0.9
161.02419	1.2
161.04517	0.6
165.05562	1.8
165.09164	0.5
167.10751	0.7
175.04031	0.4
179.03421	2.1
179.05663	0.6
183.10248	1.2
191.05605	5.7
193.05069	1.4
195.06656	1.0
205.05109	0.4
209.06627	3.6
225.07849	0.5
245.09393	0.7
256.99701	0.6
327.12531	1.1
343.63083	0.4
345.15564	7.9
346.15845	0.6
357.13434	0.6
359.16574	0.4
487.18182	3.7
537.21887	100.0
538.15039	0.7
538.22339	6.9
554.67480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46014	1.1
55.01876	2.2
55.89468	1.1
57.03439	2.0
58.00585	2.7
59.01374	50.8
69.29451	1.3
69.48381	8.1
71.00983	2.7
71.01379	52.1
72.99306	3.3
73.02937	7.1
75.00876	2.3
77.49010	1.5
81.13647	1.3
83.01390	2.6
85.02950	17.7
87.00868	3.0
89.02441	55.1
93.03460	2.9
95.01388	3.2
96.96007	8.8
99.00899	2.6
100.18335	1.2
101.02435	26.5
102.70513	1.2
104.23602	1.3
113.02448	22.5
119.03503	22.9
119.79913	1.1
121.02950	7.3
122.03745	13.4
123.04524	1.5
131.03499	2.9
132.02280	1.2
133.02917	1.3
134.03734	1.6
135.04520	2.5
143.03502	4.6
149.02431	52.3
150.03223	85.6
151.03610	2.0
159.03029	1.6
161.02455	2.7
161.04544	16.6
164.04774	19.2
165.05562	87.5
166.05954	2.2
179.05632	24.6
179.07108	5.0
180.04269	4.6
191.05609	1.6
193.05006	1.6
195.06616	49.2
196.06953	1.6
209.06636	1.7
215.16521	1.2
257.08926	1.3
280.59641	1.1
283.09793	3.6
312.10049	16.8
327.12332	100.0
328.12668	4.8
345.15482	5.3
357.13345	1.4
375.14423	4.0
489.17651	16.1
537.19946	41.5
538.20453	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	537.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03448	2.2
58.00594	1.8
59.01376	47.0
61.98826	2.9
62.17059	0.7
64.97832	0.8
68.99816	1.0
69.03461	1.8
71.01377	33.7
71.62585	1.3
72.99324	3.1
73.02943	2.2
75.00874	1.7
81.60687	0.8
83.01398	2.4
85.02940	12.7
87.00893	3.4
87.04543	1.2
89.02439	43.1
93.03472	3.3
95.01402	3.4
96.95996	6.2
97.02957	2.7
99.00891	2.4
101.02437	17.3
101.03054	1.2
109.03011	1.1
111.00912	0.7
113.02446	13.4
115.03967	1.5
119.03493	18.4
119.04301	1.2
120.99645	0.9
121.02991	4.2
121.10213	1.1
122.03735	13.7
124.01701	0.9
124.09880	0.8
129.01962	3.0
131.03566	2.7
132.04578	0.9
133.02950	1.5
134.03777	1.7
136.01698	2.3
137.02420	0.9
141.01942	1.4
143.03488	3.8
146.03793	1.1
149.02437	25.4
149.04582	2.7
150.03214	93.0
151.03677	1.5
159.03014	1.3
161.04565	6.0
162.03255	2.5
164.04791	6.7
165.05553	100.0
166.05940	2.8
177.05600	3.4
179.05641	17.2
179.07181	4.2
180.04271	6.4
191.05623	2.4
191.07147	0.8
193.05099	2.0
195.06609	70.3
196.07027	2.3
209.06737	2.7
236.35751	0.9
266.60733	0.8
283.09897	1.0
312.10266	3.3
327.12326	20.2
339.12524	1.6
345.15408	4.8
375.14569	3.2
417.80981	0.8
478.96445	0.9
487.18283	1.0
489.17581	4.9
505.17044	1.1
537.21674	39.3
538.22046	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.3
61.98819	1.7
62.96385	0.5
70.05385	1.3
70.05782	0.9
72.04458	0.4
78.95898	61.8
89.69475	0.4
91.73414	0.4
96.95999	1.5
96.96948	6.1
134.58115	0.5
150.98006	2.0
152.99571	100.0
171.00618	4.2
177.05965	0.5
277.18079	1.3
279.19510	0.6
294.96500	0.5
295.19058	1.4
449.19379	7.5
499.49124	0.5
520.55133	0.6
535.26642	21.9
536.27118	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03439	3.9
59.01371	3.5
61.98803	1.4
68.99797	1.5
69.03448	3.6
69.48088	4.0
71.01374	7.6
72.99302	4.2
73.02975	0.6
75.00863	1.1
78.95876	1.2
79.71752	0.6
79.90556	0.8
79.95741	0.7
80.96517	3.5
83.01358	2.8
85.02940	11.0
87.00863	4.0
87.04510	1.0
89.02414	1.4
95.01408	0.8
96.96001	19.2
96.96971	1.7
97.02921	5.3
99.00890	3.5
101.02429	1.8
102.05599	0.7
108.02137	1.5
109.02959	6.8
111.00861	2.3
111.92942	2.0
112.93686	1.2
113.02435	2.1
115.03988	1.4
122.03723	0.8
123.00759	0.7
123.04498	2.4
124.04818	0.7
128.03484	0.9
129.01932	8.0
130.08711	0.8
134.55162	0.6
135.04507	10.3
136.01624	1.9
141.01910	3.2
145.02914	1.6
146.03699	0.7
147.04480	1.7
150.03177	1.2
150.62904	0.6
151.03989	4.2
152.01167	0.9
159.02921	1.7
159.04440	1.4
161.02403	2.6
162.05583	8.5
165.05519	1.2
167.03500	3.9
168.03763	1.2
172.05214	1.1
175.02203	0.6
175.04027	0.9
176.07056	0.7
181.05003	0.9
182.05434	0.6
185.06044	1.0
189.05595	0.8
191.05615	5.1
191.07120	1.2
197.02718	0.8
198.03020	0.8
209.06656	5.6
213.05550	2.2
227.07079	1.4
236.12286	0.7
237.05507	2.2
238.06070	0.9
239.07085	2.6
240.04280	2.9
241.04990	5.8
242.05804	1.1
245.58829	0.6
246.07536	0.7
254.05832	0.9
255.06613	20.9
256.07379	51.8
257.07904	3.3
264.08731	1.9
267.06522	5.3
269.08185	8.9
270.05267	1.2
271.09723	23.9
272.09988	1.7
282.08789	2.6
283.08771	0.9
284.09341	0.7
285.07245	0.9
285.10056	10.3
297.11285	8.4
298.10806	1.7
300.12363	14.6
306.09943	1.1
312.09909	1.5
326.10156	2.2
327.12280	7.5
344.11304	9.9
345.13504	4.8
357.13589	0.8
367.16092	0.7
368.16196	1.3
375.14471	7.1
386.12363	3.5
416.13370	3.6
442.15140	2.3
456.14941	3.4
457.15680	0.7
486.07169	1.3
486.13916	11.1
486.20306	1.2
504.44220	0.7
518.16766	0.9
536.10211	8.1
536.17633	100.0
537.09576	0.9
537.17804	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1967
Annotation	Gomisin G
Peak:m/z	Relative Intensity
55.41492	0.4
57.03408	0.5
59.01374	6.2
61.58938	0.5
61.98800	2.0
67.19041	0.5
67.53718	0.4
71.01357	1.3
71.62289	0.6
71.62970	0.6
73.02956	0.6
75.00849	0.6
78.95894	7.5
79.95731	1.2
89.02458	0.6
89.03960	1.1
93.03455	0.5
95.95207	1.5
96.96001	8.8
96.96619	0.6
96.96928	1.0
101.02408	1.1
105.03442	1.3
107.05013	0.5
108.02145	0.5
113.02431	0.8
117.03466	4.3
119.04987	1.6
121.02906	2.0
122.03751	0.7
123.04494	0.6
128.80605	0.5
132.02168	4.0
133.02940	11.1
134.03728	55.1
135.04532	17.5
136.01648	2.2
136.04819	0.6
137.02446	7.0
137.05977	0.5
139.03964	1.4
142.72096	0.5
145.02867	0.6
146.03712	0.5
147.04485	2.9
148.04066	1.1
148.05283	1.6
149.02460	1.0
149.06079	5.1
150.03174	0.8
150.30847	0.4
150.97977	0.6
151.03999	2.5
151.87152	0.4
152.99588	14.2
159.04427	0.5
160.01637	14.1
160.03809	0.9
161.02446	8.6
161.04573	0.6
161.06018	0.8
162.03070	0.8
162.06892	0.5
163.03981	0.9
171.00572	0.9
175.03983	8.4
177.01851	0.6
177.04048	0.7
177.05534	0.9
178.02702	3.9
179.03487	14.4
189.05594	0.6
193.05040	26.0
194.02193	0.6
194.05299	0.9
207.06561	2.2
225.00584	0.8
313.18097	0.8
322.75436	0.5
326.11496	0.8
327.12427	1.0
330.20676	5.3
331.19147	4.8
520.17358	3.8
535.19611	100.0
536.19861	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	535.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03439	1.1
58.00587	1.1
58.02932	0.4
59.01375	30.4
61.98817	1.4
68.99794	0.6
69.03465	1.0
69.89409	1.5
69.89824	0.8
71.01377	19.4
71.05008	0.6
72.99306	2.3
73.02940	1.4
75.00870	3.6
77.90255	0.4
80.05057	0.6
83.01376	1.4
85.02943	7.2
87.00867	2.3
89.02437	15.0
95.01381	2.8
96.96000	1.1
98.19942	0.7
99.00884	2.2
99.04528	2.1
101.02428	10.1
101.06065	0.5
103.00376	0.5
104.05050	2.8
106.06620	2.3
108.04551	3.5
109.06547	0.8
111.00879	0.5
113.02444	8.9
116.05096	0.4
119.03497	4.4
122.06119	0.9
128.03520	1.1
129.01939	0.8
130.02954	0.6
131.03600	0.5
132.04544	35.3
133.04852	1.3
134.06110	25.7
135.04512	0.6
135.06453	0.5
141.09196	0.7
143.03505	0.5
143.04587	0.7
144.04552	1.6
148.04051	1.8
149.04492	0.5
150.05614	0.9
152.07172	2.8
153.09209	1.2
158.02464	1.4
158.06102	4.2
160.04002	1.3
161.04507	0.8
176.02150	0.7
176.03532	8.4
188.03517	3.4
188.07195	0.4
190.05089	6.1
202.04999	0.6
208.06270	0.4
223.12410	0.5
227.11687	0.6
232.21219	0.4
239.16464	0.5
241.18073	1.2
249.06114	3.6
249.10388	0.4
251.11862	4.9
255.11324	2.7
267.07169	1.3
267.11499	0.4
279.11356	17.6
280.11713	1.0
285.17065	0.5
295.10876	4.3
297.12244	0.8
306.07672	1.0
307.07797	1.3
314.12375	3.1
321.08682	0.5
323.10342	10.0
329.13605	0.4
337.11801	0.8
373.12598	0.6
403.20764	0.5
419.00958	0.4
431.18201	0.8
435.17746	4.6
435.23132	0.7
459.17737	16.0
460.17920	1.3
475.17245	3.7
503.16669	100.0
504.16937	8.5
517.18164	7.9
535.17908	5.5
535.23779	22.5
536.24347	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16191	0.6
57.03445	3.5
59.01371	14.8
59.65162	0.7
67.01873	0.9
68.99793	1.6
69.03445	6.3
69.46756	5.4
71.01370	6.5
72.99295	3.0
73.02937	1.7
75.00845	0.9
81.03442	0.8
83.01389	1.1
85.02943	13.8
86.27594	0.7
87.00864	4.5
87.04513	1.0
88.98816	0.7
89.02425	2.1
93.03448	1.0
95.01383	1.0
95.05018	0.8
96.96023	3.5
97.02939	8.3
99.00883	3.8
101.02434	2.0
109.02950	4.9
109.06571	3.0
111.00849	2.5
113.02454	2.0
115.03983	2.1
118.74847	0.7
119.05021	3.8
121.02946	7.5
122.03781	0.9
124.01678	0.9
129.01941	7.9
129.80208	0.7
135.04497	5.3
137.02469	0.6
137.06073	25.2
137.07133	1.2
141.01936	4.7
161.02464	1.1
163.04016	1.4
179.03479	0.8
181.05049	67.6
182.05374	1.9
191.05513	3.8
193.05075	0.8
197.04413	1.2
198.57591	0.6
209.06593	2.1
223.06114	3.0
227.16122	0.6
254.18733	0.6
277.60437	0.7
285.11234	2.7
323.07758	4.0
343.10217	2.5
355.10181	0.7
373.11368	8.1
485.13007	4.9
535.16571	100.0
536.16919	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	535.1816
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
51.62046	0.8
57.03444	1.2
58.00605	1.0
59.01375	29.5
61.98828	8.9
66.95911	0.8
67.26323	0.8
68.99821	7.7
69.03445	0.9
69.98478	4.2
71.01379	15.2
72.99300	1.9
73.02936	4.0
73.46398	0.8
76.73512	0.8
78.32899	0.9
78.38623	0.8
82.95408	5.9
83.01395	1.5
85.02944	4.9
86.03285	0.9
87.00869	2.0
89.02438	15.9
94.74482	0.8
95.01377	2.5
96.96004	12.1
99.00849	1.1
101.02444	8.7
108.02173	24.2
109.02947	8.2
110.13109	0.8
111.00835	1.0
113.02447	6.8
119.03538	5.6
119.05045	0.9
121.02969	4.0
122.03721	3.7
123.00896	5.1
123.04517	19.1
124.01625	1.0
125.02436	1.1
128.03461	1.0
132.02135	3.7
133.02925	2.0
134.03717	2.1
135.04457	1.2
136.01732	1.3
136.05299	1.4
137.02425	1.0
137.52026	0.8
138.03235	5.5
143.03464	1.0
146.03714	2.8
147.04512	38.0
148.01608	1.3
148.05228	3.1
149.02425	2.2
150.03223	16.1
151.03928	1.1
153.05527	1.7
158.03746	4.5
159.04501	13.7
160.05283	20.8
161.02449	5.7
161.04538	3.2
161.06044	7.5
162.03212	14.9
163.03984	10.1
164.04779	13.2
165.05531	2.8
167.28226	0.8
173.06053	3.2
175.02690	1.4
175.04036	1.5
175.06223	1.5
175.07632	22.8
176.04709	1.0
177.04050	1.2
177.05557	23.1
178.02698	21.1
178.06303	5.2
179.03448	1.9
179.05556	2.2
179.07008	0.9
187.03915	1.4
192.07892	1.2
193.05038	34.6
193.08702	1.9
194.05620	1.5
201.05611	2.0
209.06557	1.0
234.95370	0.8
245.30081	0.8
252.07816	2.3
256.04889	0.9
267.06564	3.4
268.07343	16.8
269.07724	0.9
271.07248	4.9
273.83514	0.8
282.08945	1.7
283.09750	22.8
284.10440	2.0
285.11288	2.7
297.11328	3.0
298.12091	12.3
299.12924	4.3
310.08612	1.2
325.10907	11.5
326.10922	1.0
329.13904	86.1
330.14270	5.1
331.15515	2.9
343.09116	2.9
355.11713	5.1
357.13379	1.2
364.72006	1.0
369.18988	1.6
373.12842	25.6
374.13004	1.1
401.70386	0.9
429.21124	1.2
491.24701	4.6
505.17056	6.6
517.17194	1.5
535.18103	100.0
536.18420	11.9
540.96631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91792	0.5
50.92033	0.6
51.86827	0.6
57.03444	3.6
57.25393	0.7
59.01377	13.2
59.22721	0.5
60.06563	0.6
67.01893	0.6
68.99825	0.9
69.03459	5.7
69.47514	4.7
71.01381	6.9
72.99316	3.5
73.02930	1.7
75.00881	0.8
83.01373	2.2
85.02950	12.6
86.08061	0.6
87.00861	6.3
87.04510	1.3
89.02443	0.9
93.03458	0.8
95.01342	1.3
95.05011	1.0
96.96000	3.5
97.02940	8.5
99.00888	2.6
101.02414	1.1
101.34112	0.6
107.04977	0.6
109.02929	5.9
109.06597	3.1
111.00854	1.6
111.01536	0.7
113.02421	2.1
115.00323	0.6
115.04005	3.2
119.05020	3.7
120.79420	0.6
121.02953	7.3
122.03722	1.7
127.04031	0.8
129.01942	6.3
133.01347	0.8
133.03003	0.6
134.03697	0.9
135.04523	6.5
137.06078	27.3
141.01953	4.9
151.04031	0.6
159.02930	0.7
161.02458	1.0
163.03993	2.2
173.04585	0.9
179.03461	0.7
181.05066	68.1
182.05270	1.4
183.78532	0.6
191.04147	0.6
191.05589	4.1
193.04994	0.8
204.06650	0.7
209.06610	2.3
223.06123	3.6
285.11200	2.0
323.07791	3.6
343.10406	4.5
373.11353	8.2
389.20938	0.6
438.58917	0.6
485.13058	4.8
535.16577	100.0
536.17126	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	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01093	1.0
59.01376	17.0
61.98821	3.1
63.02390	1.6
64.28505	0.7
65.00315	9.7
69.27121	6.5
71.01379	7.0
72.99290	1.5
73.02936	1.5
75.00881	1.4
78.22161	0.6
79.15128	0.7
79.95731	4.9
80.96516	2.1
83.01379	4.7
85.02942	3.7
89.02435	3.6
95.01365	0.8
96.96007	18.8
99.00904	0.7
101.02444	4.2
107.01382	16.5
109.02964	1.2
113.02408	4.7
116.92904	0.8
125.02441	4.8
130.76091	0.7
134.03746	1.4
135.04515	63.3
136.04857	2.0
137.02487	1.3
137.28183	0.7
138.97057	1.4
144.19553	0.6
149.02431	0.7
151.00360	100.0
152.00729	1.6
161.02391	1.5
169.01389	1.4
175.03929	0.9
179.03471	0.9
203.43015	0.7
241.00244	1.7
256.99838	0.9
269.04752	0.8
283.01340	1.5
287.05585	82.6
288.05933	4.6
300.02542	0.9
449.15091	2.3
475.29211	1.5
482.59470	0.7
491.12067	14.2
491.17087	4.3
492.11642	0.9
517.30786	0.8
534.29633	1.1
535.15125	3.5
535.22089	3.9
535.31067	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	535.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01382	5.5
61.98821	2.5
69.03440	2.6
69.69979	2.1
71.01380	4.6
71.05015	7.7
72.99300	1.0
73.02946	1.4
75.00878	1.4
79.95724	4.9
80.96506	2.0
83.01369	0.7
85.02944	2.2
87.00869	0.8
87.41078	0.3
89.02459	1.1
92.78494	0.4
94.69228	0.3
95.01413	0.4
95.95232	0.8
96.96005	83.8
99.00895	0.7
101.02441	4.5
111.00871	0.5
113.02448	2.1
119.03532	0.6
121.02950	6.1
122.97572	1.0
125.02396	0.4
129.01968	0.4
134.03722	2.5
137.02348	0.4
138.97060	2.0
147.00865	0.4
147.08197	0.5
149.05907	0.4
149.09734	0.5
150.97095	1.2
153.02266	16.8
154.02563	0.5
159.03049	0.6
161.04585	1.4
165.01888	0.5
168.98056	0.4
177.04059	3.5
177.09204	1.1
180.98094	0.4
221.08167	4.9
241.00232	3.8
251.11377	2.0
256.99704	2.7
266.50919	0.4
268.11612	0.3
313.06009	7.6
313.09686	0.4
331.06927	0.5
414.71024	0.4
491.28760	0.8
535.14801	100.0
536.15112	8.1
536.22992	0.5
555.13409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.2
61.98835	10.7
69.32763	1.3
69.33167	8.7
71.21957	1.0
78.95898	15.4
94.18575	1.1
140.01213	2.4
145.02939	4.9
146.03264	1.6
152.99542	3.2
171.00616	1.3
196.03935	1.2
199.13402	2.0
214.04796	2.1
279.23257	100.0
280.23657	5.0
310.15210	1.0
337.19046	4.0
365.26978	6.0
366.27289	16.9
382.82141	1.0
442.26578	1.5
476.27762	39.8
477.27991	2.5
534.23529	20.8
534.30469	4.7
535.23865	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	534.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93182	0.8
59.00573	0.7
59.01380	3.8
61.98826	5.9
62.67988	0.7
66.62945	0.6
78.95458	1.4
78.95901	22.2
83.01382	2.3
117.45050	0.7
122.00127	0.9
140.01199	4.6
140.75623	0.8
152.99593	3.6
187.68649	0.7
196.03793	10.1
214.04839	1.6
255.23262	100.0
256.23560	5.2
279.23297	1.7
425.54730	0.7
437.28964	1.4
452.27768	75.3
453.28427	4.0
498.80811	1.0
534.27234	1.7
534.35059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.4
58.00594	1.9
59.01373	72.1
61.68213	1.5
61.98818	5.3
71.01375	43.3
71.62941	2.2
72.99307	3.4
73.02946	14.9
79.95721	2.9
83.01366	2.0
85.02952	8.9
87.00871	3.4
89.02438	100.0
96.96005	19.7
97.02913	1.6
99.00875	26.6
101.02435	42.0
109.98678	1.6
113.02423	7.8
116.92835	1.9
119.03458	4.9
121.02934	2.3
123.04501	6.5
125.02432	2.5
127.67155	1.6
129.01894	1.8
130.08731	3.0
131.03500	15.2
134.03711	5.2
135.04442	2.0
137.02438	1.9
143.03496	2.2
143.76419	1.7
149.04538	82.7
149.08661	1.4
153.05559	7.6
160.01653	5.2
161.02461	1.6
161.04506	5.7
175.03957	7.6
179.07159	2.0
179.10733	5.9
191.05611	17.4
193.04979	6.3
199.42209	1.6
209.06659	4.2
221.06633	12.0
251.07623	9.5
255.03146	1.5
256.99612	1.6
265.88818	1.7
267.16138	1.5
274.81424	1.5
293.08759	3.9
311.09744	5.9
325.62738	1.6
329.06253	1.9
329.13821	1.7
353.23199	1.8
371.10086	2.5
406.24615	1.7
473.57385	1.7
483.98697	1.6
533.20184	5.1
533.29144	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.9
58.00574	2.4
59.01376	100.0
61.98819	12.5
62.27803	2.0
69.03453	3.3
69.45335	5.3
69.45734	10.2
71.01380	34.9
72.99293	5.0
73.02940	26.8
75.00854	2.7
80.91668	31.0
83.01369	6.5
84.04577	2.6
85.02927	11.3
87.00883	2.5
89.02428	19.7
89.06978	2.2
93.80111	2.2
95.01408	3.4
95.84032	2.2
96.95998	12.1
99.00881	4.5
101.02435	26.4
113.02450	15.5
113.99586	3.4
119.03481	6.9
129.01913	2.4
129.05591	2.5
135.04526	2.3
143.03496	1.9
149.04448	2.0
156.00589	2.0
161.04533	3.6
162.02319	28.4
162.12373	2.1
163.02599	6.6
174.01682	5.0
187.11339	2.2
191.05577	2.3
192.75589	2.4
209.06650	2.5
219.06654	2.1
223.13347	6.1
224.19615	2.3
241.17986	5.3
241.52928	2.2
249.06058	4.3
251.42012	2.2
266.05954	2.1
285.99710	2.4
297.07712	2.3
305.04645	2.2
305.29849	2.3
311.09329	3.9
327.12302	6.3
353.06744	4.6
403.22955	2.4
429.21231	4.2
489.23358	93.2
490.23822	7.5
500.72495	2.7
533.15540	3.6
533.22491	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.9
58.00574	2.4
59.01376	100.0
61.98819	12.5
62.27803	2.0
69.03453	3.3
69.45335	5.3
69.45734	10.2
71.01380	34.9
72.99293	5.0
73.02940	26.8
75.00854	2.7
80.91668	31.0
83.01369	6.5
84.04577	2.6
85.02927	11.3
87.00883	2.5
89.02428	19.7
89.06978	2.2
93.80111	2.2
95.01408	3.4
95.84032	2.2
96.95998	12.1
99.00881	4.5
101.02435	26.4
113.02450	15.5
113.99586	3.4
119.03481	6.9
129.01913	2.4
129.05591	2.5
135.04526	2.3
143.03496	1.9
149.04448	2.0
156.00589	2.0
161.04533	3.6
162.02319	28.4
162.12373	2.1
163.02599	6.6
174.01682	5.0
187.11339	2.2
191.05577	2.3
192.75589	2.4
209.06650	2.5
219.06654	2.1
223.13347	6.1
224.19615	2.3
241.17986	5.3
241.52928	2.2
249.06058	4.3
251.42012	2.2
266.05954	2.1
285.99710	2.4
297.07712	2.3
305.04645	2.2
305.29849	2.3
311.09329	3.9
327.12302	6.3
353.06744	4.6
403.22955	2.4
429.21231	4.2
489.23358	93.2
490.23822	7.5
500.72495	2.7
533.15540	3.6
533.22491	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85322	0.5
55.01885	1.0
57.03441	7.0
59.01378	7.2
61.98829	1.9
62.56108	0.5
68.99794	0.7
69.03458	2.2
71.01003	0.9
71.01365	7.3
71.01688	0.6
72.99307	1.8
73.02971	1.0
75.00881	0.7
83.01383	2.4
84.02175	1.3
85.02943	25.9
87.00877	12.8
87.04498	1.0
89.02451	3.0
96.96011	3.2
97.02915	2.7
99.00882	3.2
101.02448	1.6
109.02938	0.6
110.63241	0.5
111.00879	4.4
113.02456	2.0
115.04018	1.1
116.05075	0.8
117.03448	0.9
119.03429	0.7
121.02939	1.4
127.05099	0.5
129.01936	19.9
132.02211	0.8
133.02950	5.4
134.03711	2.1
135.04517	53.0
136.04831	1.2
141.01958	2.8
149.06067	0.7
158.06111	0.9
159.03006	7.8
159.04361	0.7
160.01669	1.3
161.02434	31.9
162.02760	0.7
165.01915	0.9
177.05557	1.6
179.03476	44.6
180.03809	1.2
189.05643	0.9
191.05602	2.5
203.03510	0.9
204.06577	3.0
209.06644	100.0
210.06999	2.0
211.10480	0.5
221.04527	1.5
233.04524	1.4
249.06090	1.5
249.12215	0.7
277.07199	1.6
285.10059	1.0
303.05191	0.7
310.62411	0.5
321.06039	2.1
323.07611	7.5
328.12570	0.6
341.08710	3.3
353.08728	11.0
371.09790	32.8
372.10104	1.9
454.13251	2.9
483.11279	1.2
515.13983	0.6
533.15015	98.2
534.09027	3.6
534.15625	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46807	0.9
51.92130	0.9
55.01864	1.2
57.03445	8.4
58.28519	0.8
59.01373	11.1
68.99821	1.0
69.03432	2.5
69.39510	4.4
69.39935	2.5
71.01373	9.1
72.37434	0.9
72.99297	2.0
83.01379	3.0
84.02148	1.6
85.02947	28.0
86.86861	1.0
87.00876	15.9
87.04507	1.8
89.02418	5.2
96.95996	3.9
97.02929	3.7
99.00887	4.3
101.02416	3.1
105.03345	0.9
109.02956	1.3
111.00865	5.2
113.02424	3.3
115.04010	1.7
117.03444	0.8
129.01926	23.9
133.02950	7.8
134.03702	2.0
135.04517	59.4
137.02408	1.3
141.01920	3.6
157.96230	0.9
159.02989	7.8
160.01569	1.2
161.02434	37.4
161.04544	2.1
162.02792	1.1
177.05589	1.7
179.03487	50.7
180.03865	1.8
189.05562	1.2
191.05603	3.4
203.03316	1.0
209.06650	97.1
210.07002	2.6
221.04556	1.3
233.04445	1.5
277.07123	1.4
281.66046	0.8
285.09808	2.1
321.06116	3.6
323.07574	7.6
341.08783	5.2
353.08707	16.5
354.09268	1.4
371.09714	30.8
372.10071	1.6
483.11267	1.8
515.14178	2.1
533.15015	100.0
534.15424	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	531.3325
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
57.99959	0.5
59.01373	3.0
59.57147	0.5
61.98821	4.0
70.87823	0.9
78.95897	6.1
79.95743	1.0
88.98801	3.3
89.02433	2.9
89.68879	0.6
96.96004	32.3
99.92564	1.4
100.76730	0.6
116.92851	8.8
117.92863	3.3
143.14969	0.6
152.99591	5.9
218.82013	0.5
223.20638	1.5
279.23209	4.3
280.23724	0.8
281.24481	1.9
335.23846	0.7
365.28500	2.7
367.26611	0.6
383.33087	1.7
433.23462	1.7
443.35321	2.4
447.25125	1.0
449.25647	0.9
451.32263	0.9
487.34241	41.9
488.34485	3.6
513.32080	1.3
531.33215	100.0
532.24823	0.9
532.33606	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	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15299	0.2
59.01377	100.0
60.01722	0.6
60.99304	0.4
61.98823	0.8
63.73436	0.1
69.56393	1.1
70.98269	0.1
75.26328	0.2
78.95904	3.5
79.95737	0.5
88.98804	2.2
89.02438	1.4
95.19523	0.1
96.96005	28.2
119.07634	0.2
152.99586	5.4
171.00583	0.3
194.90019	0.4
268.97534	0.3
279.23077	0.4
307.26318	0.6
384.08499	0.2
433.23550	1.1
531.36157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03451	1.3
59.01375	7.3
69.03486	0.8
69.55575	1.7
69.55999	2.3
71.01371	17.1
72.99310	2.2
73.02953	3.7
73.71400	0.5
74.44061	0.6
75.00864	13.3
79.56530	0.5
83.01375	3.5
85.02938	7.5
87.00875	2.6
89.02439	2.7
95.01369	3.8
96.95998	1.3
98.20632	0.6
99.00874	15.9
101.02435	6.6
111.00851	0.7
113.02446	7.4
115.00361	0.5
119.03497	0.7
121.02943	100.0
122.03275	1.8
127.12869	0.5
139.00346	1.9
157.01404	3.2
161.04561	1.4
213.04012	1.0
226.49046	0.5
249.05969	0.6
335.07843	0.7
337.07733	2.5
353.08920	0.9
367.12314	0.8
411.11371	36.2
412.11868	2.0
448.71082	0.7
453.53625	0.6
533.15033	74.1
534.15308	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	532.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
60.01708	0.8
61.01799	0.9
61.98826	100.0
63.18619	0.4
68.99601	0.6
78.95909	1.2
87.61237	0.3
96.96028	0.4
98.19893	0.8
106.72079	0.4
110.98525	0.6
112.98566	0.7
185.02277	0.6
186.49886	0.3
224.46188	0.3
279.23264	16.8
280.23724	1.6
281.24823	0.7
282.25174	1.3
364.21103	0.8
447.25061	3.2
532.23059	5.6
532.32104	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59825	0.7
56.62693	0.6
59.01367	1.1
61.98826	6.7
66.89729	0.5
68.99560	2.3
71.63010	0.6
73.02944	1.8
76.59102	0.7
78.95909	1.2
86.75655	0.5
87.39038	0.6
87.62560	0.5
96.96035	1.4
99.00860	0.7
99.92582	10.3
109.02960	3.7
110.03280	0.6
112.98549	1.4
113.81492	0.6
116.92854	100.0
117.01942	3.8
117.92877	2.5
124.10590	0.6
132.68176	0.6
133.02905	0.6
152.99605	0.8
196.65863	0.6
279.23245	5.7
447.25122	1.7
532.23102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1664
Annotation	Gnetuhainin I
Peak:m/z	Relative Intensity
57.03447	1.7
58.19858	0.3
59.10162	0.3
60.01720	0.9
61.01774	0.4
61.04714	0.3
66.18905	0.3
66.99210	0.4
68.99824	0.5
71.01382	4.0
72.99298	2.3
73.02952	0.8
75.00869	3.3
79.95259	0.6
79.95731	13.0
80.96513	14.9
83.01379	2.1
85.02956	3.5
87.00871	4.8
89.02447	1.0
92.37679	0.3
94.98086	2.0
95.01385	0.3
95.05560	0.4
95.95235	0.9
96.96004	68.3
97.02999	0.4
98.95605	0.4
99.00868	3.5
101.02422	1.9
103.00362	0.7
106.06402	0.3
108.87718	0.3
111.00874	12.8
113.02441	1.6
115.00349	1.7
120.95997	2.5
125.02382	0.4
127.00394	2.3
128.89769	0.3
129.01938	7.7
134.03650	0.5
136.95522	0.9
136.99156	0.6
137.96237	0.6
138.97052	5.6
141.02003	0.5
149.71468	0.3
150.97078	0.6
154.96527	1.4
159.02994	2.5
159.42029	0.3
166.96524	1.4
167.00122	0.5
176.98491	0.5
177.04024	1.1
180.98116	0.6
182.95880	0.5
192.98087	1.1
193.05017	0.7
194.76855	0.4
209.06619	0.3
210.99165	3.4
220.53775	0.4
230.55209	0.4
238.98648	20.3
241.00217	11.2
241.02724	0.4
256.99707	58.6
257.99969	1.5
286.64429	0.4
361.50806	0.3
385.11270	1.0
396.69351	0.5
397.69037	0.4
437.14597	0.5
465.18362	1.7
471.80115	0.4
477.17941	2.4
495.19009	38.4
496.19409	2.9
531.16650	100.0
532.17035	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.317
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
52.57750	0.5
55.01874	0.7
57.03435	2.8
59.01374	10.9
61.98823	1.5
63.32348	0.5
67.01874	0.5
68.99812	0.5
69.96425	1.1
69.96848	1.7
71.01379	14.1
72.99303	4.0
73.02936	1.1
75.00866	13.4
76.49146	0.5
78.95910	1.4
83.01385	1.3
85.02429	1.0
85.02945	19.5
87.00874	5.4
89.02441	4.9
95.01375	4.0
96.96010	6.7
99.00872	6.3
103.00347	2.7
113.02441	26.1
114.02787	0.6
115.00372	1.4
117.01911	2.1
129.01958	2.1
137.82738	0.6
152.99550	1.6
175.02443	3.2
196.47023	0.6
205.07144	1.8
223.08182	0.7
231.05028	0.7
249.06094	5.2
257.43048	0.5
267.07135	6.4
279.23383	1.4
281.24820	58.7
282.25189	3.0
513.30255	2.8
531.31689	100.0
532.31995	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	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28927	0.3
59.01390	1.3
61.98818	0.7
66.29859	0.2
70.19933	1.1
71.01379	1.0
72.99331	0.3
75.00871	1.1
78.95898	17.7
85.02937	1.1
87.00858	0.6
88.11385	0.2
88.98808	0.3
89.02411	0.7
95.01382	0.3
96.96002	0.5
99.00881	0.7
105.39084	0.2
109.52222	0.2
113.01730	0.4
113.02415	2.2
114.02769	0.3
115.39823	0.2
139.35846	0.2
152.99571	3.3
162.33818	0.2
168.04263	2.9
175.02415	0.3
208.59932	0.3
224.06903	8.0
242.07971	1.6
255.23271	100.0
256.23618	5.1
267.07230	0.3
273.48801	0.3
279.23264	2.0
280.23645	3.4
357.19238	0.3
480.30893	70.1
481.31271	5.3
530.30518	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	531.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03445	6.7
58.00576	1.0
59.01373	17.6
61.98826	1.5
66.32249	0.8
67.01875	0.9
68.99803	2.6
69.03454	5.0
70.52252	2.4
71.01381	15.2
72.99302	10.5
73.02943	4.3
75.00871	3.1
79.01878	1.6
79.95730	15.6
80.96519	1.3
82.95408	1.9
83.01376	4.3
85.02944	27.2
86.03298	0.9
87.00874	8.4
87.04506	1.9
89.02449	3.5
89.03958	1.1
95.01353	1.5
95.95242	0.9
96.96002	28.8
97.02949	7.7
98.95598	2.2
99.00874	6.4
101.02444	8.2
109.02920	0.7
111.00909	4.4
111.08148	1.1
113.02439	5.9
115.04011	3.2
116.92861	0.7
117.03486	5.9
119.05026	25.6
129.01947	15.5
132.02193	1.6
133.02972	1.0
134.03735	59.2
135.04337	1.4
135.99042	0.7
137.02417	1.0
138.97079	1.5
139.07661	0.9
141.01965	5.8
145.02962	9.0
149.06071	7.3
155.03485	2.3
159.03049	4.3
160.01659	7.6
161.02441	0.8
161.04588	3.6
163.04007	29.5
164.04265	1.2
173.04558	3.8
173.08287	1.0
175.03995	11.0
176.04547	1.1
178.02666	2.1
179.03384	1.0
191.05608	11.1
193.05049	49.3
194.05400	1.3
209.06647	49.0
210.06987	1.0
217.08658	0.9
223.13393	1.2
233.08141	1.8
235.05980	1.0
238.98637	0.8
241.00206	2.9
256.99786	2.6
306.01920	0.8
335.07874	1.0
337.09207	5.4
355.10349	17.4
356.10727	0.8
367.06070	1.3
367.10342	16.7
368.10483	1.0
369.19135	1.6
385.11368	100.0
386.11789	6.3
442.32422	0.8
478.08893	0.9
495.19067	4.4
530.65228	1.8
531.16882	21.8
531.24762	9.8
532.16760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3013
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
57.03433	2.0
59.01089	1.0
59.01377	13.4
62.04202	0.6
68.99813	0.7
69.03434	0.8
69.33488	5.0
71.01381	15.9
72.99311	4.1
73.02931	1.7
75.00872	13.9
75.39269	0.5
78.95884	1.1
80.23431	0.5
81.06490	0.5
83.01372	0.8
85.02948	17.2
86.03312	0.5
86.71741	0.5
87.00865	5.5
89.02438	4.5
89.18806	0.5
95.01382	4.3
99.00883	8.1
101.02425	1.0
102.21041	0.5
103.00364	2.1
110.08759	0.5
113.02445	25.8
113.40742	0.5
115.00351	1.6
117.01926	1.8
129.01909	1.7
131.03549	0.6
135.18468	0.5
157.01443	0.8
175.02495	3.7
193.03473	0.7
205.07144	2.4
223.08243	1.1
249.06154	5.9
249.42366	0.6
255.23332	5.0
259.49295	0.6
267.07220	6.7
279.23267	57.1
280.23553	3.4
315.43451	0.6
469.28162	0.7
480.30701	3.8
511.29095	2.3
529.30121	100.0
530.30450	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	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39177	0.2
59.01376	100.0
60.01717	0.6
61.98836	0.4
70.76977	0.6
75.00917	0.2
78.95911	1.5
106.69545	0.3
110.98540	1.1
152.99484	0.3
167.01108	0.6
181.15994	0.3
181.93848	0.3
185.02205	0.8
261.81015	0.3
263.88776	0.3
279.23254	28.7
280.23587	1.6
368.00171	0.2
447.25119	8.2
448.25549	0.6
469.33359	0.5
529.13885	1.4
529.35425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68485	0.4
53.84802	0.4
59.01373	4.7
69.70890	3.1
71.01353	0.8
88.49467	0.5
111.49404	0.4
112.37246	0.4
126.44788	0.5
235.20634	1.3
253.21693	100.0
254.22032	4.5
381.57321	0.5
386.74573	0.5
436.76245	0.5
459.48236	0.5
529.42322	62.4
530.42499	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	529.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20893	0.5
57.03444	5.0
59.01375	9.3
61.98812	2.4
67.01910	0.7
68.99813	1.5
69.03461	2.7
69.41225	5.2
71.01377	6.9
71.05013	11.8
72.99298	3.1
75.00887	1.2
79.95755	1.0
81.44608	0.6
83.01392	1.4
85.02943	14.3
87.00871	4.9
87.04506	1.4
89.02420	1.3
89.03973	0.8
96.96008	8.3
97.02931	6.7
99.00868	3.9
99.04503	9.7
101.02418	1.8
111.00871	3.9
113.02448	2.0
115.04000	9.6
117.03499	3.6
117.05576	9.7
117.39614	0.6
127.07590	1.6
129.01944	12.7
130.08669	1.0
132.02187	0.8
134.03732	36.7
137.02451	0.7
138.97046	0.6
141.01883	2.8
143.03487	29.1
149.06056	4.5
159.02979	4.0
160.01662	2.9
161.04543	76.0
162.04857	1.5
171.06644	0.9
175.03955	4.1
176.04483	0.7
178.02704	0.9
191.05603	9.3
193.05032	39.0
194.05368	1.5
209.06642	41.3
210.06987	1.2
241.00189	1.5
261.07623	0.8
312.91577	0.7
323.12463	1.3
335.09924	1.0
353.10925	2.9
367.10107	3.6
385.11356	100.0
386.11703	5.0
389.44678	0.7
435.26538	0.6
462.69125	0.6
507.31622	0.7
529.16217	6.3
530.22205	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94444	0.7
55.01862	0.9
57.03426	3.2
59.01371	6.0
64.85888	0.6
68.99821	0.7
69.03435	2.2
69.26073	7.6
71.01373	6.1
71.05021	9.8
72.99293	3.1
72.99670	0.8
73.02943	1.7
75.00839	0.9
78.95917	0.8
79.01855	0.8
83.01366	1.6
85.02939	12.4
87.00856	4.8
87.04498	1.0
87.33715	0.7
89.02419	1.1
89.03921	0.9
96.96004	2.7
97.02942	7.1
97.75513	0.7
99.00865	3.1
99.04514	8.9
106.41442	0.7
111.00885	2.3
113.02422	1.5
115.04000	7.8
117.03438	2.7
117.05570	10.4
126.80457	0.7
129.01930	13.5
134.03731	36.6
135.04132	0.8
137.02446	0.9
141.01886	2.4
143.02385	1.6
143.03487	27.4
149.06036	5.6
155.03510	1.3
159.02951	2.5
160.01587	3.9
161.04541	66.3
162.04871	1.4
173.04539	0.9
175.03981	5.1
178.02606	1.3
191.05609	9.9
191.07156	1.3
193.05038	39.5
194.05345	1.0
209.06638	40.3
233.08159	1.1
235.06183	1.0
260.22449	0.8
260.75955	0.8
320.58163	0.8
343.04965	0.8
353.11063	5.1
367.10138	3.8
369.93082	0.8
385.11356	100.0
386.11456	4.1
404.41190	0.8
426.16946	0.8
438.72226	0.8
511.13638	0.8
529.15253	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	528.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02066	0.6
55.01849	0.6
57.03434	1.8
57.98575	0.5
58.00576	0.7
59.01376	10.2
61.98818	1.7
67.01906	1.0
68.99803	0.7
69.03432	1.0
71.01382	13.5
71.62353	0.7
72.99290	3.9
73.02940	0.8
73.61454	0.5
74.51389	0.5
75.00865	8.4
79.95738	3.6
80.96507	1.2
83.01369	1.1
85.02953	12.8
87.00867	5.2
89.02439	4.4
95.01389	2.5
96.96005	16.8
97.02965	0.7
98.95570	0.8
99.00874	6.2
99.56576	0.5
101.02410	1.0
102.05585	5.4
103.00368	1.4
111.00862	1.8
113.02451	17.2
115.00323	0.9
117.01923	1.1
120.35308	0.6
128.03564	1.4
129.01942	1.8
134.03732	29.4
135.04535	8.2
138.97078	0.9
148.05247	0.7
149.06076	21.3
150.06409	0.8
157.01367	0.6
160.01653	4.8
161.02373	2.4
175.02429	1.6
175.03961	13.2
183.36046	0.6
189.04120	0.6
193.04993	1.4
209.06795	0.6
214.27003	0.7
231.05196	1.1
238.98666	0.8
241.00159	1.9
246.07654	2.1
249.06113	14.6
256.99704	2.0
260.09244	5.4
267.07172	7.7
269.23541	0.6
278.10388	3.3
290.09799	0.6
352.12396	4.9
371.12854	0.6
490.20291	0.8
510.16251	2.1
528.17242	100.0
529.19055	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	527.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03445	5.9
59.01374	8.1
68.99800	2.0
69.03447	4.8
69.80276	4.3
71.01372	16.2
72.99302	5.0
73.02930	4.2
79.95728	9.2
80.96509	7.2
83.01370	5.1
85.02944	19.8
87.00864	10.1
87.04513	1.8
89.02435	1.8
94.98072	0.9
95.01379	1.3
96.96001	41.2
97.02959	7.2
99.00874	6.0
101.02428	6.7
111.00861	8.5
113.02437	4.4
114.25349	0.8
115.03973	3.5
120.95969	1.1
124.90189	0.7
127.00345	1.6
127.11267	1.8
129.01936	12.5
137.71800	0.8
138.97070	3.3
141.01936	3.9
150.03262	1.4
151.03976	2.3
155.10742	1.5
156.36041	0.8
159.02982	3.2
159.51172	0.7
165.05615	1.3
173.11803	29.3
181.05077	1.5
185.41992	0.7
191.05629	5.6
193.04938	0.9
209.06593	2.7
210.99153	1.6
237.14191	1.0
238.98668	8.6
241.00223	9.8
253.95949	0.8
255.16191	0.7
256.99692	24.3
285.17068	1.1
317.15982	4.4
335.17059	45.0
336.17392	1.3
395.09930	1.4
477.19635	3.3
527.17511	53.4
527.23395	100.0
528.17798	3.7
528.24860	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	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.7
57.03444	2.6
58.00584	0.5
59.01374	14.9
60.55928	0.5
61.98838	1.1
67.01882	0.6
68.99821	0.6
69.03483	0.6
70.03116	1.3
70.03526	0.8
71.01376	19.4
72.99301	5.0
73.02954	1.7
75.00871	16.2
78.95912	0.6
78.98586	1.0
79.95741	1.0
80.96508	9.0
83.01406	1.2
83.24554	0.5
85.02946	23.1
87.00871	7.0
89.02438	3.9
91.04047	0.4
93.03505	0.4
94.98046	2.3
95.01389	4.2
96.96018	0.5
99.00866	8.8
101.02452	1.3
103.00372	3.5
110.59539	0.4
112.01648	0.5
113.02443	29.5
115.00384	1.7
117.01948	2.7
129.01959	1.3
130.97932	0.4
131.03529	0.7
134.97530	0.8
148.99193	0.7
149.04587	0.7
152.98601	0.5
152.99675	0.7
157.01419	1.2
164.98575	2.1
175.02493	2.7
193.03593	0.7
205.07173	1.9
223.08316	1.1
225.00648	2.4
231.05106	1.0
249.06110	5.5
253.21703	4.8
267.07199	7.0
267.09784	0.5
277.21689	50.5
278.22018	2.9
299.04694	0.6
369.71661	0.5
467.26321	0.5
478.29221	3.0
509.27271	2.3
527.28796	100.0
528.29132	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	527.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
61.98819	26.2
65.94984	16.5
67.35003	18.8
72.06860	20.2
78.95906	32.7
84.95113	22.5
96.96010	82.3
98.19814	34.7
102.34165	17.7
109.96470	19.0
126.91701	17.6
134.04694	54.6
220.04105	18.9
255.23267	24.0
307.22665	19.9
327.29324	18.9
519.58215	21.2
527.30090	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.8
59.01093	2.3
59.01377	35.1
61.98809	4.5
69.03479	1.6
71.01384	22.3
71.62907	1.8
73.02945	27.3
74.99109	2.0
78.95884	2.7
79.95731	12.9
80.96501	1.7
83.01390	8.2
85.02946	3.8
87.00889	1.8
89.02409	8.0
96.96004	100.0
97.02947	2.8
99.00888	2.2
99.04503	2.5
101.02419	22.2
101.86876	1.7
113.02424	7.1
121.06568	4.0
138.97058	2.1
143.03468	2.4
145.85353	1.6
147.11765	1.6
149.04420	1.8
150.04898	1.4
151.07654	21.3
151.11211	2.0
153.47342	1.7
161.04521	6.7
164.04556	1.6
167.07123	3.8
173.08086	2.5
173.09654	2.5
175.11237	2.1
179.07140	3.2
184.08910	3.5
187.11308	3.5
189.12773	7.1
191.05382	1.8
193.04889	2.3
199.11195	3.0
201.09196	5.1
202.09856	2.4
203.05446	1.9
215.10765	4.3
217.12294	31.3
221.06773	2.4
235.13402	4.5
235.15880	1.3
241.00166	6.6
243.07898	1.7
256.99673	3.9
261.11301	2.2
314.61200	1.5
339.07245	1.8
374.80222	1.7
441.17584	3.1
483.18671	73.2
484.18954	5.0
527.18152	18.7
527.20569	17.4
550.00000	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27697	0.8
57.03453	2.7
59.01381	9.0
67.01896	1.2
68.99832	2.6
69.03440	5.0
71.01373	10.3
71.77343	0.9
72.99295	8.5
73.02948	1.9
75.00875	2.1
78.95910	2.4
79.01907	3.8
79.95741	3.7
80.96513	1.4
83.01389	2.0
85.02946	11.1
87.00867	6.4
89.02464	2.8
89.03954	1.1
95.01395	1.0
95.95230	1.2
96.95999	29.4
97.02930	5.3
98.95609	2.3
99.00899	3.1
99.04498	1.1
101.02473	2.3
106.15350	0.8
109.06594	2.8
111.00906	3.5
111.08179	1.6
113.02454	3.2
115.04019	1.3
117.03437	5.7
119.03515	1.4
121.02995	3.5
123.04561	1.5
127.07650	9.7
129.01955	5.7
132.02213	2.9
133.02988	3.7
134.03731	82.5
137.02492	2.3
138.97063	4.3
139.07651	8.2
141.01924	5.2
147.04585	1.3
149.06075	16.2
155.03505	5.1
157.08687	81.1
158.09109	2.0
159.03020	3.0
160.01640	23.5
161.02371	2.5
167.93741	0.9
173.04552	8.9
173.08232	1.7
175.03983	33.5
175.05458	1.7
176.04643	2.5
178.02643	4.3
179.03552	0.8
191.05647	11.7
191.07207	2.8
193.05037	78.4
194.05446	2.4
198.99127	4.5
203.07227	0.9
209.06616	7.9
217.08742	2.4
233.08093	5.3
235.06161	3.4
238.98758	0.9
241.00284	3.3
245.08162	1.2
247.06209	1.4
256.99799	1.7
259.01266	16.9
259.68839	1.0
261.07813	2.7
265.05099	3.6
268.03891	1.1
275.05777	2.4
283.06171	1.4
291.08823	2.3
331.13757	0.9
335.07669	5.2
349.14996	15.1
367.10287	100.0
368.10703	5.7
385.11383	11.0
405.19626	1.1
525.19861	36.5
526.20386	3.6
531.74060	0.9
541.29541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.6
61.98805	0.4
71.01374	2.4
72.19157	0.3
72.99289	0.5
73.02930	0.5
75.00864	0.3
75.19151	0.3
75.64840	0.3
78.95876	0.3
79.95723	4.4
80.96510	3.5
85.02937	0.8
87.00879	1.0
89.02442	0.3
95.01394	0.3
95.95255	0.4
96.96003	100.0
98.19843	0.7
99.00870	0.9
101.02426	1.2
110.00098	2.4
111.16222	0.3
113.02442	1.0
121.02961	0.4
122.97541	0.6
125.02388	0.3
137.99590	0.6
138.97058	10.4
143.03445	0.5
150.97044	1.3
164.98703	1.3
165.99048	3.7
168.98120	0.9
180.98166	0.5
191.69771	0.3
222.99138	2.1
226.11237	0.3
241.00204	81.3
242.00546	1.8
256.99872	0.4
270.05316	5.5
285.07620	8.5
285.10669	0.5
286.08011	0.3
357.09781	0.7
447.13022	2.6
508.60431	0.3
527.08655	25.2
528.08954	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29365	41.1
52.18779	33.8
59.05072	31.9
61.12971	33.9
61.98811	67.1
62.79576	36.7
66.99837	38.3
71.26064	31.1
71.32148	67.3
78.95432	35.9
86.49203	34.6
96.96017	100.0
105.50770	39.1
123.43002	33.7
152.99579	36.9
157.19987	43.2
200.69501	45.1
475.21985	40.6
525.28815	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33017	0.5
59.01375	2.3
61.98820	1.1
71.01389	0.9
71.16634	0.8
78.95919	1.4
87.00881	0.9
89.02411	2.5
96.96011	1.4
104.26092	0.5
117.03458	1.4
127.11266	0.6
133.02945	18.7
134.03767	4.5
135.04520	11.7
137.02429	2.8
139.03990	1.2
150.06833	0.7
161.02429	100.0
162.02739	2.1
162.06834	1.5
177.09076	0.8
179.03471	4.3
195.13849	1.4
235.05997	1.0
277.21588	0.8
287.22272	9.6
295.22766	5.6
363.25293	7.1
387.25424	0.8
431.24307	38.1
432.24863	2.8
449.25333	10.6
450.25171	0.8
523.28918	88.7
524.29224	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	523.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	94.6
60.44816	16.1
61.98819	86.6
63.86751	17.6
69.72830	53.5
69.73235	55.6
76.09779	15.7
78.95894	50.1
79.58675	17.5
96.96030	31.9
152.99529	30.4
159.13847	18.6
202.48636	16.1
217.00217	22.0
263.04803	21.1
295.22659	93.9
296.49387	18.1
523.25317	37.7
523.32922	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	524.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25089	0.2
59.01380	0.7
61.98827	100.0
69.03436	0.2
71.01384	0.3
79.95728	0.3
85.02966	0.3
89.02467	0.3
89.14312	0.2
96.96009	4.4
101.02464	0.3
113.02415	0.3
116.90668	0.2
129.01991	0.2
150.03171	0.2
167.03435	0.3
175.04131	0.2
176.46249	0.2
184.04993	0.2
185.07820	0.2
216.84712	0.2
311.15332	0.2
314.13235	0.2
345.15622	0.5
445.66141	0.2
525.13141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49547	2.0
59.01362	5.7
61.72134	1.6
61.98835	5.1
68.17594	1.7
71.62284	2.9
78.95914	10.7
96.95999	2.2
135.51628	1.5
136.45306	1.5
149.89368	1.6
152.99535	15.4
153.99883	4.0
154.99969	1.6
167.49692	1.6
199.89352	1.5
341.24796	1.8
350.40778	1.7
434.23825	3.4
521.30322	100.0
522.30548	13.4
528.35138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85326	4.5
54.48935	4.5
59.01377	10.9
61.98815	21.4
71.38689	8.7
73.41100	4.8
77.58267	4.8
78.95891	18.0
79.36922	4.4
83.62259	4.8
94.81663	4.1
96.96000	5.6
121.09708	4.1
146.43048	4.4
151.48480	4.3
152.99553	18.8
154.99936	8.2
428.27216	4.5
480.99335	5.7
521.30377	100.0
522.30499	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3116
Annotation	20-Hydroxyecdysone 2-acetate
Peak:m/z	Relative Intensity
57.03431	1.3
59.01389	4.4
61.98824	3.1
78.95901	2.5
81.41749	1.0
87.00853	1.1
95.04988	1.1
96.02525	1.0
96.96004	3.7
97.06562	0.9
111.08160	1.6
123.08147	3.6
127.11300	2.3
128.34140	0.8
129.29596	0.8
135.04547	1.3
135.08162	0.9
137.09697	1.6
139.46788	0.8
147.06068	1.0
149.06090	1.7
150.06845	15.4
152.08424	0.8
152.99574	1.2
155.10722	1.9
161.02441	2.4
162.06853	39.0
163.07632	7.1
164.08418	1.7
165.09114	1.2
171.10226	1.6
176.08391	3.7
177.09171	13.5
179.10803	2.6
184.11110	1.4
216.11664	1.3
261.18613	2.7
293.21103	1.8
340.34851	0.9
343.21207	29.9
344.21677	2.0
442.27292	1.1
503.30121	22.9
504.30698	2.5
521.31207	100.0
522.31360	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	521.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76586	1.3
58.00595	2.0
59.01373	66.5
69.16116	1.1
69.88880	3.8
69.89299	2.0
71.01373	47.4
72.99294	1.9
73.02946	16.2
79.95728	1.3
83.01402	1.7
85.02938	5.9
85.82145	1.0
87.00876	2.0
89.02438	100.0
96.96021	7.0
99.00875	33.7
101.02435	40.7
101.03081	2.6
108.02179	3.5
109.02952	1.6
113.02425	10.2
119.03490	3.7
119.57330	1.2
123.00871	3.0
123.04524	2.8
124.01653	1.9
125.02430	3.3
127.10670	1.2
128.03522	1.9
131.02539	1.5
131.03490	17.4
134.03725	4.7
137.20155	1.2
143.03444	3.6
144.42889	1.1
148.04099	6.6
148.05058	1.3
149.04547	88.4
160.01730	1.2
161.02443	12.2
161.04517	5.8
162.02800	5.8
163.03952	1.9
163.06378	4.3
164.06734	3.6
175.04022	1.7
176.04320	1.3
191.05579	18.0
221.06682	7.6
251.07640	7.2
272.07037	1.8
275.07809	1.5
283.09131	1.3
287.09091	6.2
293.08716	3.5
311.09814	6.3
317.10275	11.3
326.09827	2.8
340.11887	6.1
341.12210	14.9
358.12885	8.2
359.13193	19.1
374.17236	1.5
389.21735	1.4
503.21265	2.2
521.16681	3.7
521.25897	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	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19969	0.6
55.01875	1.1
57.03443	1.3
58.00603	3.6
59.01376	100.0
60.01705	0.8
61.98818	1.0
69.35044	2.2
69.35466	4.1
71.01377	65.5
72.99297	5.3
73.02942	2.8
75.00879	0.7
83.01384	2.3
85.02943	12.9
87.00872	4.0
89.02440	91.7
90.02763	0.9
91.97460	0.7
93.03463	1.2
94.58344	0.6
95.01357	4.9
96.95998	3.1
97.02954	0.8
98.06187	0.6
99.00865	2.0
101.02437	41.0
108.02178	1.8
109.02919	1.7
113.02441	29.0
119.03493	39.9
121.02930	1.6
122.03719	2.2
123.04490	2.0
125.02425	1.1
130.99780	0.6
131.03514	5.4
134.03679	2.6
135.04546	5.7
137.02463	1.6
143.03502	9.4
149.04533	4.8
149.06001	0.7
150.03207	0.6
158.03671	1.1
159.04518	3.7
160.05296	6.7
161.02472	1.7
161.04494	8.0
161.05986	2.4
172.05299	4.3
173.06010	3.0
175.03955	0.9
175.07538	2.9
179.03435	2.8
179.05592	21.7
180.05917	0.8
187.07584	2.1
189.05551	7.9
190.06332	8.4
191.05559	1.0
193.04950	1.7
204.07790	0.7
205.08690	6.8
208.77748	0.7
219.91307	0.7
223.05859	0.8
266.05579	0.7
281.08011	2.6
282.55417	0.6
295.09686	1.2
296.10483	4.6
308.10184	0.7
311.12857	5.0
329.13736	2.4
341.13889	27.8
342.13998	1.6
345.15692	0.7
359.07373	0.8
389.21631	0.8
521.18646	6.3
521.27039	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83667	0.4
57.78913	0.4
59.01386	3.0
61.98825	0.5
69.03445	0.6
69.24889	3.7
71.01375	3.2
72.99323	0.4
73.02943	1.2
75.00872	0.6
79.21236	0.4
80.88180	0.3
85.02929	2.3
87.00912	0.4
88.98825	0.5
89.02451	1.2
93.03451	0.6
95.01398	0.5
96.96013	2.3
98.20657	0.8
99.00893	0.5
101.02459	1.9
113.02445	1.3
121.02934	4.4
122.03754	1.5
123.00896	1.0
123.04548	0.7
124.01676	0.4
125.02378	0.4
131.05038	0.4
132.04501	0.4
134.06084	0.7
135.04498	0.4
136.05206	0.8
137.02405	1.1
143.05028	0.6
147.04489	2.6
149.02446	1.7
149.06094	0.4
150.03218	5.5
151.03970	0.5
153.05627	0.5
158.03722	2.8
159.04495	7.7
160.04129	0.9
160.05284	23.4
161.04689	1.3
161.06056	6.9
162.03256	0.5
162.05566	2.3
163.03999	4.8
164.04790	4.6
165.05540	0.6
167.03461	0.4
173.06047	3.6
174.06738	0.6
175.07632	23.4
176.04921	0.6
176.08017	0.6
177.05559	6.5
178.06335	8.3
179.03497	0.5
190.05142	0.4
191.07191	0.5
192.07941	1.7
193.03792	1.4
193.08731	3.0
195.06598	0.5
209.06595	1.1
235.80968	0.4
285.12503	1.7
311.10339	0.7
314.11646	1.1
327.05136	0.4
329.13947	100.0
330.14249	6.4
359.15027	3.6
464.41611	0.3
506.16043	0.5
521.17426	4.2
521.25323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.8
59.01374	3.8
60.54465	0.6
61.04998	0.7
61.98833	1.1
67.01894	1.7
68.99813	2.5
69.03441	3.6
71.01382	10.7
71.61292	0.6
72.99304	4.7
73.00926	0.6
73.02946	1.1
73.57047	0.6
77.70276	0.7
78.95907	4.3
83.01386	2.7
85.02948	19.9
87.00897	2.1
87.04510	1.9
89.02457	1.3
96.95996	4.8
97.02949	7.5
99.00882	4.9
101.02457	1.7
105.89549	0.6
108.02164	28.2
109.02970	1.5
110.98532	2.8
111.00870	3.8
113.02464	3.2
115.03980	3.9
121.02888	0.8
123.00857	1.2
123.04517	20.5
125.82359	0.6
129.01939	17.2
131.72179	0.6
137.02425	0.7
141.01945	3.4
151.00337	0.6
152.01144	38.5
153.01935	5.1
153.05556	2.2
159.02977	3.3
167.03479	100.0
168.03789	2.3
173.04497	0.7
191.03818	0.8
191.05582	18.8
197.04521	2.0
209.04570	1.1
209.06593	2.4
218.83841	0.7
235.06300	1.0
239.05583	1.6
239.09647	0.7
309.05997	0.8
325.87555	0.6
327.07172	1.9
329.08722	5.0
341.08698	6.7
359.09799	47.4
360.10129	2.2
368.62451	0.7
400.32068	0.8
434.47348	0.7
452.55869	0.7
521.15094	65.9
522.15521	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98821	0.7
62.96385	0.2
71.58146	0.3
78.95898	43.6
80.65391	0.2
88.98792	0.2
89.23973	0.2
96.96954	6.0
150.97997	1.4
152.99574	100.0
153.99933	1.1
171.00616	3.6
172.43373	0.2
255.90913	0.2
276.60275	0.2
279.23224	1.5
374.73178	0.2
431.22049	0.3
433.23557	25.0
434.23950	1.8
520.26709	6.0
520.34296	0.3
521.26813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.8
65.00317	2.0
69.27136	0.4
70.13724	0.4
71.01379	2.8
72.99333	0.7
73.02964	0.7
74.65211	0.3
75.00874	0.5
75.74221	0.4
79.95772	0.6
82.00595	0.5
83.01411	0.6
85.02978	1.2
87.86396	0.5
89.02460	1.0
91.58691	0.4
95.01397	0.5
96.96040	1.5
98.19776	0.8
101.02482	1.9
104.67321	0.4
110.00094	4.2
111.00910	1.7
113.02452	0.9
130.10146	0.5
136.98788	2.7
137.99637	1.3
139.00356	3.2
140.01160	1.0
148.01672	0.6
148.16721	0.4
151.00401	0.5
163.04137	0.7
164.98331	1.0
165.99068	5.9
166.99940	0.5
173.08176	0.5
186.03232	0.5
187.00346	1.0
189.01944	0.5
198.03255	0.9
199.03894	0.4
201.14943	0.9
202.02690	1.2
213.02016	1.0
214.02650	2.4
215.03497	0.8
216.00609	0.5
217.01340	0.6
223.46381	0.4
226.02631	0.9
227.03401	0.5
228.00533	0.7
229.05066	1.8
230.02327	1.0
241.01410	1.2
242.02200	5.8
243.03033	0.7
244.00179	1.8
245.04546	1.0
255.02863	0.6
257.04562	5.7
258.01706	1.0
259.02557	2.0
268.00110	0.6
269.00949	0.4
270.01709	1.7
271.02371	1.1
273.04062	1.8
274.04861	0.7
283.02386	1.2
285.00415	4.2
285.03772	1.0
286.01129	6.4
293.09131	0.5
295.99594	1.4
297.00510	0.9
298.01169	1.0
299.01996	0.5
300.02716	3.4
301.03506	12.7
302.03577	0.6
311.01920	2.2
312.99823	0.7
314.00562	2.7
315.01532	0.7
315.05035	3.1
316.05658	0.6
328.02353	0.7
329.02979	20.8
330.03708	2.1
343.04532	3.3
344.05328	99.6
345.05804	7.7
359.07687	100.0
360.08047	4.5
506.10553	1.4
521.12872	22.6
521.33331	6.4
522.13037	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	520.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19952	0.6
59.01363	2.1
60.05671	0.7
69.87910	2.1
69.88315	1.2
71.01382	0.8
84.84969	0.5
89.02463	1.2
92.05058	0.6
96.00905	0.6
96.96008	2.4
104.53538	0.5
106.03011	0.8
108.02181	1.7
109.02970	1.3
113.02445	0.7
117.03423	0.7
118.83030	0.6
120.01189	0.8
123.04539	1.6
132.02173	2.0
133.02939	5.6
134.03734	14.3
134.99437	0.6
135.04539	3.9
146.53209	0.7
147.04427	1.0
148.04042	37.2
148.05243	2.5
149.04807	22.1
149.06073	9.5
160.01639	11.9
161.02428	84.8
162.02917	2.2
163.06374	31.5
164.07095	1.1
175.02730	1.6
175.04005	17.3
176.04411	0.9
190.05060	2.8
194.02205	0.9
234.07748	1.3
267.06534	2.0
282.09018	5.3
293.97391	0.5
325.09482	13.7
340.11847	100.0
341.12201	6.1
358.12903	91.5
359.13181	6.5
485.17712	1.6
494.70044	0.6
520.21246	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	Pinoresinol O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.52534	0.7
53.82081	0.7
55.01885	0.8
57.03421	1.5
59.01373	18.4
59.01673	1.0
61.98843	0.9
69.03452	0.7
69.26539	6.7
71.01380	12.2
72.07644	0.6
72.99318	1.7
73.02947	2.9
75.00869	0.7
83.01378	1.0
84.02206	0.6
85.02952	6.3
87.00876	1.0
88.98809	1.3
89.02441	8.2
95.01392	1.5
96.95998	4.1
97.02962	1.0
99.00889	1.3
101.02428	6.5
107.05097	0.8
108.02142	1.3
109.02920	1.0
113.02431	6.1
119.03497	2.9
121.02936	4.1
121.14655	0.8
122.03738	2.9
123.04536	1.4
124.01600	0.7
127.07635	0.7
129.01959	0.8
133.02948	2.9
134.03783	2.0
135.04517	1.9
136.01653	68.8
137.02357	2.1
147.04466	0.6
149.06094	0.8
151.03998	99.9
152.04306	2.4
159.02954	0.9
160.05302	0.9
161.02441	1.7
161.04521	3.1
162.03287	1.4
163.03973	0.9
171.95018	0.7
175.03999	1.5
175.07626	1.5
177.01842	1.3
177.05621	0.9
179.05586	1.8
189.05589	0.6
191.05675	0.9
193.05164	1.2
203.07056	0.8
209.06651	3.7
269.01071	1.4
297.00378	14.4
309.07776	0.7
309.11246	1.0
312.02866	4.0
313.03067	0.7
315.15933	0.7
322.98349	2.2
327.08722	1.8
339.12283	1.0
342.10965	5.1
357.13397	100.0
358.13788	7.0
415.23334	6.4
475.08984	1.7
501.06839	2.0
519.07770	12.7
519.15277	4.6
519.22614	1.0
520.07916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	1.5
59.01093	2.6
59.01373	32.0
61.98808	1.4
64.10132	1.1
70.71925	2.6
70.72271	1.2
71.01376	24.1
72.99285	1.8
83.01384	1.7
85.02940	3.8
87.00843	2.2
89.02435	21.6
95.01385	1.3
96.58315	1.2
96.96001	12.1
96.96933	1.4
101.02430	16.0
109.02937	1.9
113.02438	9.9
116.05100	2.0
119.03500	8.7
123.04521	19.2
131.50223	1.3
134.03667	1.1
135.04510	37.6
148.03996	1.6
153.01955	2.9
153.05569	27.3
179.05624	1.3
183.11597	1.2
193.04991	1.6
203.08109	2.8
207.89069	1.1
315.10806	100.0
316.11118	3.7
519.12823	2.0
520.16693	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	520.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03781	0.5
56.16637	0.5
59.01375	3.1
61.98845	1.0
62.62961	0.5
69.77631	1.8
69.78041	1.3
71.01381	2.8
72.01747	0.5
73.02975	1.1
77.30410	0.6
77.38819	0.5
84.10390	0.6
89.02434	3.0
96.24486	0.5
96.96006	4.1
98.19923	0.7
99.00906	1.1
101.02502	1.8
107.34038	0.6
108.02193	1.2
109.02995	1.0
120.01269	1.8
123.04562	1.1
126.05656	0.6
132.02211	1.2
133.02942	5.3
133.03685	0.5
134.03738	16.9
135.04565	4.1
137.02437	0.6
147.04510	0.8
148.04053	30.9
148.05305	3.5
149.04854	21.1
149.06116	9.3
150.03239	0.9
150.05141	0.8
151.04045	0.7
160.01656	10.8
160.02855	1.0
161.02438	74.0
162.02890	2.1
163.06384	25.8
164.07036	1.2
165.05705	1.0
175.02696	1.6
175.04005	16.2
175.38936	0.5
177.04269	0.9
190.03619	0.6
190.05054	3.1
191.05499	0.6
192.06638	1.2
194.02287	0.8
216.06729	0.6
234.07759	1.8
239.07297	0.7
241.00153	0.7
250.26323	0.5
267.06616	1.7
282.08981	4.6
313.10870	0.8
325.09497	14.2
340.11853	89.1
341.12216	4.4
352.69012	0.6
358.12909	100.0
359.13193	6.8
382.12732	1.2
404.26578	0.6
493.86578	0.7
520.17316	1.8
520.24591	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	519.1711
Annotation	Gonocaryoside A
Peak:m/z	Relative Intensity
57.03440	1.0
58.00585	1.6
59.01376	54.8
61.98828	1.5
67.95011	0.7
69.27102	4.9
69.27514	1.4
71.01377	30.1
72.99294	3.0
73.02940	2.4
83.01385	2.9
85.02944	8.1
87.00882	1.5
88.98783	0.6
89.02436	31.2
93.03478	1.0
95.01375	2.6
96.96009	9.9
97.02975	1.2
98.95586	1.2
99.00876	1.7
101.02435	22.6
107.04998	0.8
108.02155	2.6
109.02949	1.3
113.02438	12.7
119.03503	16.9
120.01300	0.8
121.02957	1.0
123.04498	5.3
125.02383	1.0
131.03525	1.4
134.03694	2.6
135.04514	44.1
136.04794	0.8
137.02467	1.7
143.03473	2.2
149.04646	1.2
152.01140	3.0
153.01700	0.9
153.05551	6.1
161.02380	1.4
161.04521	2.1
165.01897	1.4
165.05539	3.1
175.04019	1.0
177.01868	1.2
177.05524	1.0
179.05594	2.9
195.06628	1.2
219.03285	2.3
249.55159	0.7
281.06458	1.1
296.08987	1.0
297.09708	3.5
309.05905	1.0
314.25830	0.8
315.10822	100.0
316.11285	3.6
323.07635	0.9
324.08276	1.8
338.10339	1.7
339.10458	3.4
340.11829	1.3
356.11282	1.6
357.11829	21.1
358.12512	2.2
395.81329	0.8
459.15002	14.1
460.15213	1.4
477.16107	11.0
478.16064	1.0
519.17981	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	519.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
56.72738	0.1
57.03438	0.5
58.00587	1.3
59.01374	30.2
60.01687	0.2
61.98818	0.3
65.27698	0.2
66.65927	0.1
68.30795	0.2
71.01376	19.4
71.11137	0.4
72.99303	1.3
73.02940	0.8
75.00867	0.2
78.95876	0.2
83.01383	1.1
85.02946	4.0
86.06723	0.1
87.00404	0.2
87.00845	0.7
88.98798	0.3
89.02437	19.6
90.02790	0.3
91.05589	0.2
95.01375	1.2
96.96001	1.8
98.95602	0.3
99.00884	0.6
101.02438	13.5
102.02779	0.4
107.05018	0.3
113.02441	7.6
119.03491	8.8
121.02863	0.1
123.00856	0.2
123.04510	1.9
124.01662	0.3
125.02475	0.3
128.03552	0.2
131.03488	0.7
134.03734	0.6
135.04514	39.4
136.04909	0.9
139.03993	0.2
143.03426	1.0
144.04597	0.1
148.04082	0.2
149.04562	0.4
149.06163	0.1
153.01978	0.2
153.05554	2.0
160.01714	0.2
161.02423	0.4
161.04538	0.8
163.06308	0.2
165.05586	0.3
175.03999	0.2
179.05589	1.0
193.05055	0.2
254.45786	0.2
297.09836	0.4
298.95047	0.2
315.10812	100.0
316.11148	4.7
340.12064	0.5
357.11804	2.2
358.12878	0.5
428.32120	0.2
451.89590	0.2
456.71786	0.2
459.15030	1.0
474.70142	0.1
477.16022	0.7
519.17230	7.5
520.17200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
50.57404	0.7
50.79356	0.8
54.74764	0.8
57.03447	1.0
59.01376	18.4
60.11595	0.8
60.99310	0.9
61.53134	0.7
61.98827	6.9
63.02361	2.7
65.00321	7.1
67.01878	1.5
68.78362	0.8
68.99805	1.8
69.03441	1.0
71.01381	5.7
72.99288	1.1
73.02911	2.5
75.00849	1.5
79.95718	1.8
81.03437	0.8
83.00951	0.7
83.01384	6.2
85.02935	4.8
87.00854	1.1
88.98812	4.5
89.02422	3.6
93.03445	10.0
95.01365	5.1
96.96008	11.8
97.02914	1.8
101.02399	3.5
107.00700	1.0
107.01379	13.5
108.02129	3.7
109.02956	5.5
111.00860	1.1
113.02415	2.5
117.03420	2.9
119.03564	1.2
119.05016	29.3
120.99625	1.2
121.02925	1.2
123.00108	0.7
123.00877	6.5
124.01570	2.0
125.02415	6.9
129.01845	0.9
133.02908	3.0
134.03763	4.0
135.04553	5.1
136.01602	1.9
137.02391	1.9
145.02934	2.2
149.06053	1.0
150.03123	0.9
151.00359	50.9
151.03986	1.0
153.01927	32.4
154.25215	0.8
158.03687	1.1
159.04359	1.1
160.01674	1.0
161.02438	24.6
161.19246	0.8
162.02779	1.2
163.04013	1.0
164.01094	1.6
165.01846	2.5
169.01347	1.3
175.03917	2.3
177.01875	7.4
178.99712	1.0
193.01332	3.5
193.04910	1.6
195.02734	1.0
196.00146	0.9
205.01344	1.6
227.07111	1.1
227.22972	0.8
241.00018	1.3
242.77965	0.8
271.06088	100.0
272.06500	5.5
292.60602	1.0
297.04037	1.5
299.01672	1.6
300.02594	4.6
313.03650	0.9
314.04147	1.0
315.05075	41.8
316.05231	1.4
327.52338	0.8
337.09131	0.9
339.08612	2.0
433.10925	1.1
459.09042	1.8
475.12427	37.9
476.12610	3.1
519.11163	32.0
519.22925	1.8
519.29700	2.7
520.11212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.64199	0.3
55.96968	0.3
57.03231	0.4
57.03443	4.5
59.01094	0.6
59.01376	8.6
67.01894	0.6
68.99819	0.8
69.03452	7.1
69.41844	2.4
71.01379	10.5
72.99300	2.8
73.02940	1.4
75.00866	10.0
79.56305	0.4
81.03458	0.6
81.07078	1.3
83.01388	0.8
83.05013	2.5
84.39061	0.4
85.02942	10.7
87.00863	3.3
89.02434	2.9
91.04010	0.7
94.38557	0.3
95.01373	3.4
95.05058	0.5
96.96011	0.7
98.20731	0.5
99.00872	5.8
101.02424	0.6
103.00380	1.3
109.02975	0.5
111.08142	1.4
113.02442	14.1
113.06051	1.2
115.00352	1.1
117.01942	1.7
119.06069	0.3
124.71698	0.3
127.06360	0.3
129.01904	1.2
131.46490	0.4
132.03021	0.4
133.10210	0.8
135.04498	0.4
135.11809	2.9
137.09772	0.4
146.75737	0.3
150.04347	0.4
155.07066	0.4
165.95732	0.4
175.02473	1.3
179.10739	4.1
183.23944	0.4
197.11754	1.1
205.07071	0.5
219.75623	0.4
220.95401	0.3
231.05019	1.1
249.06117	12.6
250.06380	0.5
267.07205	4.2
267.15930	4.3
288.89664	0.4
312.12555	0.4
337.14572	0.4
457.21024	0.4
499.22122	1.8
517.22821	100.0
518.23163	7.7
538.71356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98818	1.3
78.95896	44.9
96.96942	5.7
98.19874	1.0
124.67085	0.3
150.97980	1.1
152.99573	100.0
153.98465	0.3
153.99916	0.7
171.00615	3.6
277.21722	0.5
431.21954	21.1
432.22076	1.4
481.15002	0.3
518.25037	4.6
518.31213	0.4
519.27008	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	518.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98827	100.0
68.68472	0.5
69.96297	0.9
69.96715	2.6
73.70991	0.6
74.03334	0.5
78.95906	3.1
112.04107	0.6
121.02996	3.1
135.04541	1.8
152.99586	5.4
202.08589	0.6
313.07254	1.0
427.02042	0.6
519.27319	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03442	2.0
59.01377	13.4
67.01882	0.7
68.99796	0.9
69.03448	2.2
69.56687	0.5
69.57098	2.0
71.01376	10.4
71.56436	0.4
72.29111	0.3
72.99297	3.5
73.02927	2.0
75.00871	11.6
81.03436	0.4
81.07092	0.7
83.01370	0.8
84.96758	0.3
85.02948	12.0
87.00866	3.5
87.04542	0.4
89.02435	2.4
90.44517	0.4
95.01390	3.4
96.96027	0.7
98.19863	0.7
99.00882	6.2
99.04530	0.9
99.06708	0.4
101.02443	0.4
103.00355	1.0
106.01978	0.4
109.02947	0.4
111.00903	0.5
113.01684	0.7
113.02446	12.9
115.00378	0.8
117.01927	1.5
129.01927	1.5
130.99846	0.5
134.03752	0.4
135.11832	2.3
153.09180	3.5
157.01425	0.6
161.02431	1.7
175.02422	1.9
179.10759	6.7
193.05046	0.8
231.04985	2.4
249.06143	13.3
249.15022	0.5
250.06487	0.5
262.63287	0.4
267.07162	3.8
267.15985	10.5
323.07669	0.6
473.23688	0.7
474.79816	0.4
499.21927	1.8
517.22845	100.0
518.23206	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	517.1556
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
55.01879	0.5
58.00568	0.6
59.01375	13.9
61.98812	0.6
62.69603	0.4
69.75760	2.7
71.01373	10.2
72.99296	0.7
73.02941	0.9
78.95911	0.9
83.01365	0.9
85.02927	2.9
87.00866	2.0
89.02435	11.5
95.01391	1.1
96.96007	6.8
96.96964	1.4
97.02969	0.5
99.00855	0.6
101.02438	7.2
113.02439	5.4
116.07140	0.4
117.03452	1.7
119.03516	4.3
119.04992	1.2
125.02435	3.3
128.03471	0.4
131.03569	0.5
132.02165	13.1
134.03735	27.1
135.04091	0.8
137.02446	1.2
143.03493	2.5
149.06050	3.9
151.03976	1.2
153.05594	0.7
160.01645	61.3
161.02003	1.3
161.04541	3.0
161.05865	0.8
163.04004	1.2
167.56186	0.5
175.03984	100.0
176.04327	2.8
178.02687	2.8
179.05606	7.3
191.07060	0.7
193.05037	54.8
194.05380	1.6
201.07771	0.6
203.08205	0.5
206.11891	0.4
221.06622	0.5
235.06148	0.8
245.06828	0.6
271.09726	0.8
295.08206	0.5
317.11301	0.8
323.09738	3.4
337.09378	0.6
341.10876	5.6
342.11395	0.6
407.41498	0.4
477.34283	0.5
517.15558	18.7
518.15784	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	8.7
59.01375	52.9
61.98815	2.1
69.03447	2.0
69.32613	0.8
69.33013	4.4
71.01370	7.7
71.04992	0.8
72.99315	1.2
73.02943	1.2
73.30718	0.7
75.00856	3.1
79.95716	0.9
83.01353	0.6
83.05020	4.4
85.02946	6.5
85.50944	0.6
87.00852	1.3
89.02425	2.8
93.03455	2.1
95.01377	1.7
96.95999	2.7
99.00866	2.6
101.02425	2.5
103.00359	0.6
107.05027	1.0
111.00919	0.6
113.02445	9.5
117.01924	0.8
119.03442	1.0
119.04979	1.1
131.04907	0.5
134.03743	1.2
135.04486	0.6
136.49548	0.5
143.03448	0.8
147.04556	0.8
149.06065	100.0
150.06384	2.2
161.02383	1.7
161.04503	1.3
163.07634	17.1
175.02502	0.8
175.03882	0.8
179.05666	0.7
189.09216	3.4
193.05042	0.9
207.10252	2.1
209.06593	0.7
249.06146	5.1
267.07193	1.2
267.15952	2.1
295.13434	1.8
313.14423	81.7
314.14825	4.9
397.22336	3.9
415.23206	1.4
457.18912	0.9
475.19702	0.7
517.22870	26.7
518.23199	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	517.1556
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
57.03469	0.5
59.01375	10.2
61.98821	1.5
64.89748	0.4
69.64515	1.7
69.64925	0.8
71.01381	8.6
72.99293	0.9
73.02957	0.8
73.63869	0.4
79.95718	0.9
83.01383	0.8
85.02934	2.3
87.00887	1.2
89.02438	10.0
95.01355	0.9
96.95998	6.7
98.19838	0.5
100.30398	0.4
101.02442	6.2
113.02446	3.9
117.03498	0.6
119.03497	2.8
125.02451	0.5
128.03528	0.8
131.03481	0.7
132.02161	12.8
132.03146	0.8
133.02963	0.7
134.03729	18.9
135.04323	0.4
137.02449	0.9
143.03456	1.1
149.04559	0.7
149.06067	3.5
150.03241	0.5
160.01643	63.9
161.02028	1.4
161.04558	1.3
175.03984	100.0
176.04353	2.7
178.02679	2.3
179.05664	2.2
187.03889	0.5
187.50815	0.4
191.07097	0.8
193.05038	33.7
194.05394	0.7
217.05060	1.6
221.06564	0.5
235.06036	1.4
259.06082	0.6
315.03796	0.6
319.13925	4.3
337.09232	3.5
341.10870	3.9
451.45013	0.5
517.15607	24.7
518.15955	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	517.1554
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
55.39524	0.3
57.03428	0.3
59.01376	9.3
68.94886	0.3
69.53455	2.1
71.01378	8.2
72.99311	0.5
73.02930	0.5
83.01331	0.3
85.02954	1.6
87.00895	0.5
89.02441	8.3
95.01395	0.6
96.95992	1.7
97.02926	0.3
99.00891	0.3
101.02437	4.9
102.84857	0.3
113.02443	3.9
117.01780	0.3
117.03492	0.4
119.03479	2.5
119.04982	0.3
130.08694	1.4
131.03453	0.3
132.02162	13.0
134.03726	7.4
137.02423	0.6
143.03502	0.9
147.04576	0.3
149.06076	1.3
160.01645	60.6
161.02020	1.6
161.04536	0.4
172.09775	1.1
175.03986	100.0
176.04337	3.5
178.02669	0.7
179.05611	1.9
187.04146	0.3
188.04781	0.4
193.03278	0.7
193.05035	14.9
194.05338	0.4
235.05937	0.5
246.01965	0.3
248.44096	0.3
337.09201	3.6
341.10846	5.0
388.16910	0.3
437.16373	0.4
517.15564	20.7
518.16241	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05085	0.4
57.03447	1.6
59.01374	100.0
60.01714	0.7
61.98819	3.0
64.71303	0.4
69.03455	0.7
69.51988	1.5
69.52422	1.7
71.01372	9.8
72.99308	1.0
73.02938	2.5
75.00878	1.5
77.02468	0.4
79.95734	1.0
81.03454	1.3
83.01397	0.8
83.05024	0.7
85.02940	5.8
87.00876	1.4
89.02435	5.2
89.03970	1.0
93.03460	0.8
95.01398	1.8
96.95994	5.6
97.02943	0.7
98.95596	0.7
99.00903	1.7
99.04527	2.2
101.02431	4.6
101.11857	0.4
106.33143	0.5
107.05014	0.5
111.00874	1.3
113.02431	7.9
117.03442	2.9
119.03487	1.8
119.05017	0.6
120.27724	0.4
121.02950	0.9
123.04436	0.6
128.03528	0.5
129.01967	0.7
132.02196	1.0
133.02943	22.2
134.03734	35.8
135.04520	13.0
137.02412	3.2
139.03984	1.3
143.03500	0.5
143.04599	0.6
146.03668	0.5
149.06073	15.0
150.03223	0.8
159.02980	0.8
160.01773	0.6
161.02426	91.0
161.04582	3.0
162.02724	3.2
163.04016	0.5
163.07645	1.3
167.10768	1.6
175.02585	0.6
175.03963	2.2
177.05544	0.8
178.02684	10.8
179.03471	9.9
179.05675	0.9
192.04294	0.5
193.05034	54.2
194.05389	1.8
203.03494	4.1
207.06604	0.9
209.06644	1.2
222.45038	0.4
241.00198	0.9
249.06158	1.7
256.99796	0.5
267.07327	1.0
267.16058	1.7
272.09033	0.4
306.07617	2.1
313.03427	0.7
313.14432	5.2
323.07669	65.4
324.08044	3.0
341.08551	0.6
355.10114	0.5
371.09952	1.1
393.24844	0.5
397.22253	6.6
415.23376	2.4
457.24295	1.1
473.23886	1.2
517.13660	2.8
517.22784	13.1
517.29504	0.9
518.23065	0.6
540.02991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71799	0.7
52.93725	0.6
55.01875	0.9
57.03438	2.2
58.99606	1.8
59.01369	3.8
61.98814	3.9
66.66047	0.7
68.90710	0.7
71.01379	6.1
71.62480	1.0
72.99289	1.1
73.02945	1.3
75.00871	1.3
79.95727	16.0
80.96511	17.6
83.01366	3.2
85.02950	3.0
87.00877	6.2
88.98801	1.7
89.02429	1.7
93.20299	0.7
93.71146	0.8
94.98064	2.8
95.95238	0.8
96.96005	83.8
99.00874	3.1
101.02433	3.3
103.00359	1.3
111.00877	16.9
113.02429	2.4
113.55059	0.7
115.00331	1.0
120.01245	28.2
120.95973	2.6
127.00385	2.5
127.05119	0.8
128.03503	1.6
129.01927	8.6
134.03738	2.7
135.04527	4.1
136.95493	0.9
137.02467	0.9
138.97063	7.0
148.34698	0.8
149.06116	0.9
154.96573	1.2
159.02988	2.0
160.01628	2.8
166.96509	1.6
167.00134	1.0
175.04001	5.6
177.04016	1.3
178.02682	1.1
190.99904	1.0
192.98071	1.3
193.05017	4.3
210.99104	3.1
221.99680	0.8
238.98643	21.8
240.97960	1.3
241.00229	20.8
242.00194	1.0
256.99704	61.5
257.99921	0.8
259.01212	3.9
264.08649	2.0
271.09708	1.2
301.00360	1.5
319.11893	1.4
371.04681	38.0
372.04990	2.1
395.10019	2.1
429.08859	16.6
433.31613	0.8
454.12274	6.5
498.10956	6.9
499.11319	0.8
516.12067	100.0
517.11749	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	516.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98838	0.5
71.01384	0.8
72.99311	0.3
75.00871	0.2
83.01356	0.2
85.02943	0.7
89.02430	0.5
96.96010	1.5
98.20614	0.4
98.95606	0.2
101.02467	0.4
113.02451	0.7
117.03452	0.2
119.05052	0.6
124.01608	0.4
128.03615	0.2
129.01883	0.2
130.08714	1.0
133.02905	0.4
133.05315	1.5
134.03725	3.4
135.04506	14.2
136.04018	0.3
136.07678	0.5
137.02429	0.2
147.04515	2.0
148.05292	37.0
149.06084	2.4
150.02046	0.3
150.03195	0.7
161.02412	0.6
161.04767	0.5
162.03262	0.4
162.05583	0.6
172.16341	0.2
175.04048	0.5
176.03494	4.0
176.07068	0.9
177.04280	1.9
178.05074	26.0
179.05460	0.6
190.05072	10.2
191.05724	0.6
192.06717	0.2
253.08643	1.4
270.11203	0.2
296.09167	0.3
297.10013	11.4
298.10416	0.5
312.12369	100.0
313.12701	5.1
336.18103	0.2
339.11200	0.5
354.13437	3.5
354.19357	0.4
355.13654	0.2
456.16562	0.8
474.17633	1.0
516.18622	9.3
517.22577	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
58.99602	1.1
59.01373	4.1
60.99305	1.2
61.98822	2.0
66.42213	0.4
71.01373	5.0
71.62663	0.9
72.99303	1.2
73.02933	1.0
75.00877	1.2
75.08177	0.5
79.95729	12.8
80.96510	12.9
83.01377	2.6
84.74804	0.5
85.02933	2.2
87.00868	6.4
88.98794	8.1
89.02434	1.5
92.35958	0.4
94.98075	1.8
95.95254	0.6
96.96001	64.7
99.00885	3.0
100.07751	0.5
101.02446	2.4
103.00360	1.2
111.00871	14.6
113.02436	2.0
115.00357	1.7
119.05029	1.4
120.01242	19.5
120.96027	2.2
127.00363	1.8
128.03548	1.4
129.01932	6.9
134.03751	2.4
135.04524	1.9
138.97055	6.9
149.06049	1.0
150.97055	0.7
154.96536	1.5
159.02982	3.0
160.01648	1.9
163.04102	0.5
166.96590	1.2
167.00185	0.9
175.02682	0.5
175.03938	2.6
177.04028	0.9
178.02628	0.8
182.96118	0.6
188.70303	0.5
190.96513	0.6
192.98112	1.1
193.05040	3.5
210.99149	2.3
238.96735	0.3
238.98631	19.5
241.00209	16.1
256.99698	49.1
258.00012	0.9
259.01270	2.4
264.08664	0.5
301.00537	1.3
371.04718	17.8
395.10135	3.0
408.13089	1.0
429.08875	13.2
430.09158	0.6
442.96265	0.5
454.11813	2.5
455.10684	0.8
498.11288	2.1
516.12073	100.0
517.11908	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
57.03453	0.2
58.00607	0.2
59.01373	4.0
61.98830	0.1
69.03444	0.1
71.01376	3.8
71.62672	0.1
72.99317	0.2
73.02945	0.8
75.00867	0.3
78.95913	0.2
81.03460	0.1
83.01381	0.4
83.05059	0.1
85.02937	0.9
86.05060	0.1
87.00876	0.5
89.02435	2.9
91.04028	0.1
95.01348	0.3
97.02951	0.2
99.00906	0.2
101.02433	3.4
103.04007	0.2
113.02446	1.5
115.04006	0.1
117.28666	0.1
119.03505	0.7
125.02431	0.2
131.03424	0.1
133.05121	0.3
138.20029	0.1
143.03514	0.3
145.05043	0.1
152.99583	0.4
157.04994	0.1
161.04544	1.2
161.96783	0.1
178.71805	0.1
179.05540	0.4
235.08217	1.1
253.09254	13.4
254.09454	0.3
261.22168	0.3
279.23245	100.0
280.23584	4.7
303.75830	0.1
471.34891	0.4
515.33820	1.7
516.33484	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
52.88904	0.3
59.01380	2.2
61.98824	0.4
63.47134	0.3
71.57751	0.4
74.41853	0.3
87.04546	0.5
88.50294	0.3
90.19261	0.3
93.67119	0.3
97.06582	0.6
98.19981	0.3
105.33957	0.3
113.02355	0.3
125.34035	0.3
127.26178	0.3
130.86971	0.3
138.21941	0.3
351.23428	0.5
393.27921	3.0
394.28003	0.4
395.25732	1.3
395.30157	0.4
409.31314	0.6
421.27155	0.4
423.28790	1.9
437.30814	0.7
439.32162	1.9
451.32080	0.8
453.30011	0.4
455.31570	2.4
483.31204	0.5
497.32858	3.8
499.30771	0.9
515.33734	100.0
516.34070	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3371
Annotation	(+)-Methyl ganolucidate B
Peak:m/z	Relative Intensity
55.96342	0.7
58.01849	0.7
59.01368	5.7
61.98833	1.9
62.86487	0.8
71.05019	0.8
71.62024	1.1
73.02943	0.8
96.96024	1.6
97.06587	4.4
129.44606	0.8
160.86775	0.9
171.99643	0.8
201.13403	0.8
263.24280	0.8
363.23065	0.8
370.72256	0.8
389.28885	1.1
391.26474	3.3
391.30783	1.7
393.27921	15.3
393.32367	1.3
419.29861	2.5
421.31284	2.7
423.29272	1.1
435.29028	4.9
437.30881	2.8
439.32153	8.9
440.32764	1.0
449.30829	2.1
451.32242	13.7
452.32437	1.7
453.30206	1.6
467.27795	1.1
474.22345	0.9
481.29547	4.8
483.31137	14.0
484.31586	2.5
495.31055	9.3
497.32663	62.9
498.33017	6.1
507.00604	0.9
515.33948	100.0
516.34418	9.6
541.32037	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2872
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01868	1.7
55.37427	0.5
57.03449	2.3
58.00603	1.1
59.01375	48.6
60.01702	1.3
60.99316	0.6
61.01770	0.5
61.98835	1.0
63.41383	0.5
68.79327	0.5
69.03448	0.9
71.01378	24.3
72.99308	5.8
73.02946	6.1
75.00867	10.1
76.17591	0.5
79.01887	0.5
79.95741	2.1
80.96528	0.8
83.01384	3.6
85.02946	11.4
87.00878	1.5
87.04529	1.4
89.02438	10.6
95.01418	2.4
96.96001	15.9
97.02930	0.7
99.00898	3.3
101.02435	14.8
101.03073	0.9
109.02901	0.6
113.02438	10.5
115.00300	0.6
116.01294	0.5
116.07166	9.8
116.98293	1.0
117.07556	2.3
119.03471	3.8
129.01964	1.2
129.45372	0.6
137.09782	1.9
138.97025	0.7
149.99628	0.9
150.97165	0.5
161.04572	1.9
165.01996	0.6
173.49702	0.6
179.05820	0.7
193.05069	1.0
208.59653	0.6
229.21931	0.9
238.99068	0.5
241.00217	7.2
256.99564	0.9
323.18805	0.9
323.68723	3.5
324.18930	0.8
335.10492	0.7
335.22375	2.4
339.02634	0.6
342.11594	1.2
352.69131	1.3
371.91553	0.5
378.12054	0.5
381.19174	1.0
381.69232	3.5
382.19730	0.8
403.18741	2.1
403.68701	5.6
404.19223	2.0
436.78250	0.6
471.34827	0.8
473.25955	1.0
507.88760	0.6
515.28589	100.0
516.28918	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	514.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93481	0.1
56.73397	0.1
59.01371	0.2
60.92288	0.1
61.98824	100.0
62.54608	0.1
62.98524	0.1
69.89640	0.5
71.01369	0.1
96.96037	0.4
98.20553	0.2
118.29824	0.1
124.70119	0.1
128.64679	0.1
130.69807	0.1
205.69362	0.1
247.86299	0.1
454.33841	0.2
514.20197	0.3
514.32214	0.5
515.19586	0.1
541.84796	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
71.01375	44.0
71.62842	2.2
72.65733	1.8
72.99291	7.5
73.02944	67.3
75.00865	61.4
82.86145	1.8
83.01393	12.6
85.02946	10.8
89.02451	7.9
95.01385	4.9
96.95995	7.1
97.02929	3.2
101.02438	43.7
113.02438	25.3
117.01904	2.5
119.03502	7.2
127.35078	1.9
129.03430	3.3
131.03502	3.6
131.05022	60.1
136.01665	6.5
143.03511	3.0
143.04980	4.6
149.04530	5.1
151.04013	10.1
157.02933	32.9
161.04520	8.9
171.04474	6.8
175.04005	4.9
185.06093	2.1
189.05612	5.0
199.03960	41.5
201.01952	3.5
217.05013	7.8
229.05017	14.2
240.35304	2.3
247.06232	3.8
248.04648	3.7
277.07169	4.4
291.06491	4.4
309.07651	3.3
311.69473	2.1
335.05554	5.3
455.09866	5.4
515.11871	29.8
515.29187	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	513.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
61.98843	0.9
70.89180	0.8
70.89540	0.6
83.66682	0.4
148.28711	0.4
192.89514	0.4
271.13156	0.4
301.53577	0.4
355.26361	0.9
367.26453	2.4
393.28110	0.6
405.24091	1.0
407.29691	2.2
409.27393	19.2
410.27701	1.4
435.29190	2.9
437.30981	3.9
451.28525	1.5
467.31613	63.7
468.32037	5.7
513.32159	100.0
514.25220	0.4
514.32513	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	513.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91967	1.1
58.50367	1.2
59.01377	3.2
61.98823	2.4
67.01065	0.9
74.02520	1.0
82.85635	0.9
95.05006	1.1
97.06586	15.2
102.68941	0.9
129.39761	1.0
137.09702	1.2
164.20163	0.9
229.20425	1.2
277.60880	1.2
389.28705	2.9
391.26367	11.8
419.29532	5.2
423.29053	1.6
433.27509	3.7
437.30243	1.4
449.30630	23.1
450.31024	1.0
451.32635	1.4
469.30646	1.2
495.31110	100.0
496.31473	8.3
513.32214	96.2
514.32672	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	513.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
59.01374	1.2
61.98831	0.7
62.70309	0.4
69.86920	1.3
69.87328	0.9
80.91708	0.4
83.05051	0.4
94.78413	0.4
95.53072	0.4
96.96026	0.6
97.06586	9.5
134.24783	0.4
293.62991	0.4
364.27667	0.4
377.24640	2.9
379.26340	1.2
391.26166	1.0
400.94067	0.4
405.27817	2.4
407.29556	1.2
409.31293	0.7
437.30710	1.2
448.69165	0.4
483.31119	55.1
484.31375	5.8
485.29230	0.5
495.31265	6.2
496.31448	0.8
513.32153	100.0
514.32452	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60607	0.1
54.30434	0.1
55.01873	0.3
57.03443	0.1
58.00350	0.1
58.00603	0.2
59.01373	5.4
66.75018	0.1
68.96571	0.1
69.03468	0.1
69.25623	0.6
71.01376	4.1
72.99314	0.2
73.02945	1.0
78.95905	0.1
81.03488	0.1
83.01380	0.6
83.05026	0.1
85.02943	1.0
87.00861	0.5
87.01267	0.0
89.02438	3.1
91.04015	0.2
95.01369	0.3
97.02956	0.2
99.00871	0.3
101.02434	4.2
103.04020	0.1
113.02438	1.8
119.03480	0.8
125.02450	0.2
127.07628	0.2
131.03517	0.1
133.05045	0.4
143.03467	0.3
149.04543	0.1
152.99583	0.2
154.96176	0.1
157.05075	0.2
161.04547	1.5
179.05595	0.5
182.13103	0.1
205.19539	0.1
233.22794	0.3
235.06290	0.0
235.08177	1.3
253.09253	15.0
254.09622	0.5
259.20633	0.4
262.69888	0.1
275.20038	0.4
277.21680	100.0
278.22018	5.8
280.18402	0.1
291.23068	0.1
362.85217	0.1
431.21967	0.1
519.44244	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
69.73528	2.2
71.01374	2.0
72.99319	0.5
75.00854	0.5
79.95731	7.4
80.96516	7.3
83.01391	0.9
85.02957	1.0
87.00874	3.1
88.33852	0.4
94.98080	1.3
95.01369	0.4
96.96004	45.1
98.19939	0.6
99.00867	1.8
101.02436	1.5
103.00362	0.4
104.65734	0.4
111.00873	7.0
113.02428	0.8
113.74262	0.3
115.00358	0.8
115.98390	0.3
120.95998	1.6
127.00351	1.1
129.01950	5.2
134.11374	0.4
136.95457	0.5
138.97060	3.1
150.97002	0.4
154.96544	0.6
159.03003	1.3
166.96547	0.8
167.00237	0.5
177.04019	0.9
192.98120	0.7
210.99211	1.5
225.49739	0.5
227.59395	0.3
230.48654	0.4
230.65141	0.4
234.55193	0.4
238.98636	12.7
241.00208	7.7
256.99695	40.5
258.00049	0.9
513.20074	100.0
514.20465	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	513.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43761	0.5
59.01371	1.8
70.50732	0.6
71.01377	1.6
71.07784	0.8
71.08115	0.7
79.95731	9.8
79.96189	1.1
80.96513	7.2
81.95296	1.0
83.01387	1.3
85.02957	1.6
87.00868	2.7
89.02429	0.8
94.98096	1.4
95.95278	0.6
96.96002	53.3
98.95587	1.9
99.00893	1.1
101.02456	1.6
111.00854	5.2
113.02435	1.1
120.96038	0.9
127.00378	0.8
129.01921	3.5
129.92496	0.6
138.97070	2.9
150.96994	0.7
151.11069	0.6
159.02989	1.3
159.52998	0.8
164.90573	0.6
166.96576	0.6
184.32117	0.6
210.99152	0.6
238.98613	7.5
239.98085	0.6
241.00227	9.6
242.99974	0.8
256.99695	19.9
513.20074	100.0
514.20410	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41246	0.1
55.01886	0.3
57.03450	0.2
58.00359	0.1
58.00570	0.3
59.01376	6.3
61.98835	0.1
69.03456	0.1
69.09784	0.1
69.25471	0.1
69.25899	0.5
71.01377	4.8
72.01719	0.1
72.99308	0.3
73.02949	0.8
75.00882	0.1
78.95897	2.2
81.03458	0.1
82.22975	0.0
83.01387	0.7
83.05049	0.2
85.02950	1.2
87.00871	0.7
89.02441	3.6
91.04048	0.2
95.01367	0.4
96.96969	0.3
97.02957	0.1
97.06609	0.1
99.00847	0.3
101.02437	5.0
102.02792	0.1
103.04050	0.1
112.01741	0.1
113.02447	2.5
113.06087	0.1
115.04008	0.1
115.16448	0.1
119.03490	1.1
124.05484	0.1
125.02449	0.1
127.07610	0.3
129.01933	0.1
129.66426	0.1
131.03516	0.2
133.05064	0.3
143.03503	0.4
149.04584	0.1
150.97977	0.1
152.99576	4.5
157.05083	0.2
161.04549	1.7
171.00645	0.2
179.05647	0.5
205.19547	0.1
214.12131	0.1
223.42754	0.1
233.22702	0.3
235.08177	1.0
253.09265	16.8
254.09631	0.4
259.20663	0.5
275.20132	0.3
277.21692	100.0
278.22028	5.4
278.25238	0.1
298.48944	0.1
431.22021	1.2
469.32715	0.1
513.32202	1.0
514.32361	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42685	0.4
59.01378	0.9
61.09795	0.4
70.90759	0.9
71.01370	1.5
71.36971	0.3
79.95733	44.1
80.96513	3.5
85.02928	0.5
87.00861	0.9
95.95236	0.4
96.96005	44.2
99.00877	0.4
101.02419	1.3
104.06475	0.3
111.00887	0.5
113.02421	0.6
129.01939	0.7
138.97066	2.5
150.97034	0.7
159.02925	0.4
166.96515	0.4
233.46832	0.4
238.98627	1.8
241.00197	8.2
256.99704	4.4
383.93311	0.3
513.20038	100.0
514.20453	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	513.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03440	1.6
59.01375	1.7
61.81150	0.4
71.01379	3.4
71.14096	1.1
72.99294	1.1
73.02923	0.5
75.00869	1.2
79.64148	0.5
79.95732	10.3
80.96510	13.9
83.01376	2.2
85.02965	2.3
87.00867	5.2
94.98074	1.7
96.96004	52.9
99.00869	3.1
101.02423	1.6
103.00364	1.0
111.00870	14.3
113.02431	0.6
115.00359	1.0
120.96023	2.1
127.00373	1.1
129.01936	6.2
136.95470	0.7
136.99167	0.5
137.12117	0.5
138.97050	4.5
150.97084	0.9
154.96597	0.9
159.02963	2.0
166.96593	0.9
167.00148	0.7
177.04025	0.7
190.96631	0.6
192.98138	1.1
210.99100	2.2
238.98650	11.7
241.00204	5.2
256.99704	32.0
258.00031	0.7
329.89130	0.6
407.19699	0.5
513.20038	100.0
514.20300	8.3
514.27429	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23917	1.0
59.01377	25.1
61.98830	2.8
71.01380	14.4
71.61766	2.0
72.99322	2.1
74.02428	1.1
74.99100	1.5
78.95935	1.3
81.40675	1.1
83.01357	1.3
83.51466	1.1
85.02959	3.8
88.98817	2.9
89.02446	20.8
95.01360	1.6
96.96008	13.6
96.96949	1.1
101.02441	16.0
109.02985	1.4
113.02432	7.7
119.03513	10.3
119.36314	1.2
120.01210	1.2
123.04531	16.3
131.03487	1.1
135.04526	35.4
137.02440	1.1
153.01958	1.5
153.05577	26.0
153.06830	1.4
230.08438	1.3
237.08124	1.2
264.08685	1.4
266.12213	1.3
315.10837	100.0
316.11258	3.9
477.16122	36.8
478.16269	1.8
495.18274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3059
Annotation	3,11-Diketofusidic acid
Peak:m/z	Relative Intensity
55.01877	0.5
56.22348	0.4
57.43291	0.4
59.01356	0.7
61.98810	0.5
71.62333	1.0
96.96008	0.6
191.01360	0.5
353.24945	0.7
365.24701	2.3
370.83789	0.5
389.25034	0.7
391.26492	0.7
403.22778	1.7
405.28049	3.2
407.25827	18.4
408.26288	1.1
433.27509	3.7
435.24829	2.2
435.29117	3.9
449.26941	2.5
465.30042	63.4
466.30371	6.6
511.30597	100.0
512.30939	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	511.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03441	4.2
58.00591	1.4
59.01375	24.6
68.99788	1.7
69.03441	3.1
69.95441	4.8
71.01379	16.5
72.99303	3.4
83.01392	1.2
85.02943	15.3
87.00876	6.3
89.02435	11.8
94.33521	1.2
97.02954	6.9
98.20576	2.2
99.00863	4.9
101.02422	7.2
105.75068	1.0
111.00916	1.4
113.02441	6.1
115.04005	1.8
119.03470	3.8
129.01944	8.4
139.07640	9.2
141.01906	2.6
169.04256	0.9
177.57100	1.0
191.05606	5.8
227.98630	1.2
261.48083	1.0
271.31186	1.1
299.01950	1.1
311.63382	1.0
319.13940	17.4
461.16626	4.4
511.20233	100.0
512.20563	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	511.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92809	0.5
51.66086	0.5
52.39963	0.5
54.05125	0.6
55.01878	0.7
57.03434	3.4
58.00571	1.1
59.01376	24.8
67.01881	0.9
68.99810	1.3
69.03446	4.2
69.81990	1.7
69.82398	1.2
71.01376	19.4
71.52042	0.5
72.99296	3.8
73.02942	1.4
74.99085	3.6
76.08470	0.5
79.95724	0.5
80.77500	0.5
83.01393	2.7
85.02946	16.9
87.00874	5.4
87.04503	2.1
89.02441	9.9
90.37130	0.5
95.01376	0.6
96.96006	2.2
97.02942	7.1
98.09683	0.5
99.00893	5.2
101.02435	9.0
111.00862	2.3
113.02438	6.0
115.03997	1.8
118.15155	0.8
119.03497	3.3
129.01924	8.1
135.68816	0.6
136.99129	2.6
139.07639	8.4
141.01886	3.1
156.50723	0.6
157.08720	2.0
159.02977	0.7
191.05643	5.4
192.05980	0.6
209.06598	1.5
247.26454	0.5
301.12988	1.1
319.13962	17.4
353.53580	0.7
461.16708	4.4
511.20245	100.0
512.20551	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	511.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.0
58.00586	1.5
59.01377	46.9
61.98801	1.3
62.50676	0.6
67.01900	2.9
68.62627	0.6
68.99786	1.3
69.03403	1.0
70.76705	1.5
71.01378	30.7
72.99298	6.4
73.02917	2.1
74.99079	1.1
79.95692	0.7
83.01363	2.7
85.02946	21.1
87.00846	3.2
88.98771	0.8
89.02440	22.9
90.75994	0.7
95.01353	1.6
96.96011	5.8
96.97037	0.6
97.02916	2.1
99.00838	2.8
99.59209	0.7
101.02439	18.8
111.00863	1.3
113.02440	8.8
115.03958	1.3
117.45197	0.6
119.03497	8.1
124.31627	0.6
128.03503	0.7
129.01935	5.7
135.04506	3.2
139.07648	15.2
139.93361	0.7
141.01936	1.1
143.03534	0.9
157.08644	2.2
159.02916	2.6
173.04527	0.7
176.63002	0.5
191.05582	17.4
209.06641	9.5
245.09174	0.7
258.62991	0.6
319.13943	100.0
320.14240	3.1
439.56094	0.7
451.18280	0.7
461.16660	1.1
478.98489	0.6
511.20251	77.6
512.20526	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	511.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45197	0.4
57.03437	1.1
58.49913	0.3
59.01371	2.3
61.98827	0.6
69.70522	2.5
71.01370	2.6
72.99311	0.7
73.02949	0.4
74.99105	0.9
75.00864	0.5
76.01047	0.3
79.95731	18.2
80.96515	6.4
82.44524	0.4
83.01383	1.2
85.02944	1.5
87.00868	2.5
89.02437	0.7
94.98089	0.9
95.94655	0.5
95.95228	6.2
96.46999	0.4
96.96001	60.6
99.00867	1.5
101.02435	1.4
103.00352	0.5
109.02920	0.3
111.00877	4.7
113.02443	1.1
115.00327	0.6
120.96001	0.9
127.00330	0.7
129.01949	3.0
136.99155	1.1
138.97063	3.0
150.97041	1.3
151.00381	0.7
151.97868	0.5
159.02971	1.3
166.96591	0.5
177.04047	1.3
178.99799	0.4
180.98120	0.6
192.98233	0.5
198.99217	0.5
210.99191	1.3
225.00691	0.4
238.98622	7.2
241.00200	8.6
256.99701	21.1
257.99933	0.5
259.01346	1.0
271.02386	1.0
299.01788	0.8
300.02631	0.7
331.04648	1.2
411.13010	0.8
433.07867	0.4
462.70251	0.4
481.17456	0.8
493.09924	1.9
511.18542	100.0
512.18915	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	511.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34003	0.3
56.01315	0.3
57.03438	1.1
59.01366	2.2
61.89121	0.3
70.36981	1.3
71.01382	3.5
72.99280	0.7
73.02535	0.7
73.02944	13.6
75.00873	0.5
79.95733	8.1
80.96510	9.7
83.01388	1.6
85.02949	2.6
87.00863	3.5
89.02436	0.9
94.98074	1.1
95.95263	0.4
96.96004	51.2
98.20555	0.5
98.95564	0.4
99.00867	2.5
100.94907	0.3
101.02441	2.2
103.00361	0.7
111.00138	0.6
111.00876	9.8
113.02421	1.8
115.00367	0.6
117.61385	0.3
120.95982	1.0
127.00356	1.4
129.01949	4.9
138.97054	3.9
154.96553	1.3
159.02962	2.1
161.04562	0.4
166.96510	0.6
167.00230	0.6
177.04025	0.8
180.98128	0.5
190.96461	0.5
192.98021	1.0
210.99205	1.9
227.49738	0.4
238.98647	13.6
239.01077	0.7
240.97952	0.6
241.00220	8.0
256.99701	34.2
259.01303	0.5
358.26859	0.4
431.22748	5.5
437.15015	2.0
511.18478	100.0
512.18829	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	509.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74234	0.6
61.98827	100.0
71.02831	1.8
71.96181	0.6
79.95744	1.9
96.96024	2.8
130.20795	0.6
276.55774	0.7
509.12698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66595	0.3
60.41341	0.3
60.89378	0.3
63.46622	0.3
67.54317	0.3
78.94651	0.3
78.95897	8.1
79.63104	0.3
80.15645	0.3
85.56135	0.3
96.96933	0.5
101.58914	0.3
103.49414	0.3
135.04526	1.4
152.99574	13.9
156.44763	0.3
171.00601	1.2
176.12292	0.3
213.78847	0.3
227.03230	3.1
232.09744	0.8
238.28505	0.3
245.04266	1.4
250.10799	0.7
281.24820	100.0
282.25168	5.4
405.96140	0.3
509.28766	38.9
510.29236	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	509.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99974	0.4
57.03428	1.3
59.01374	5.1
61.98820	0.5
69.03436	0.8
71.01371	3.8
71.13528	1.1
72.99302	1.2
73.02936	1.2
79.95732	38.5
80.96510	7.9
83.01392	1.2
85.02930	2.4
87.00864	3.0
89.02422	2.9
94.98081	0.8
95.95232	6.9
96.96001	54.2
99.00875	2.1
99.04531	2.6
101.02427	2.4
111.00867	6.8
113.02464	2.3
115.00349	0.8
120.95993	1.4
120.99654	1.4
127.00409	0.8
129.01930	4.0
138.97049	4.6
150.97021	1.3
154.96509	0.8
159.02951	1.4
166.96541	0.9
177.04037	0.6
179.10880	0.5
180.98158	0.6
190.96548	0.6
202.59776	0.6
210.99080	1.9
238.98634	10.5
241.00221	16.4
256.99704	26.5
258.00012	0.6
259.01175	0.5
267.16037	2.9
329.23376	1.0
429.21069	2.0
509.16809	100.0
510.17139	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	509.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03441	1.0
59.01368	2.9
61.16034	0.3
69.03438	0.6
69.53526	2.4
71.01373	2.8
72.99297	0.6
73.02945	0.8
75.00856	0.6
79.95730	39.4
80.96510	9.0
83.01399	1.9
85.02945	2.4
86.01659	0.4
87.00864	3.8
89.02435	0.8
94.98071	1.4
95.95215	5.8
95.95780	0.4
96.96001	45.9
99.00869	2.6
101.02414	1.9
103.00349	0.7
111.00863	9.1
113.02449	3.3
115.00350	0.9
120.23526	0.4
120.96011	1.7
122.97498	0.4
127.00365	1.0
129.01933	5.4
136.95515	0.6
138.97084	3.4
150.97015	0.7
154.96509	1.1
157.11095	0.3
159.02948	1.8
166.96494	1.0
180.98067	0.4
192.98157	0.6
210.99202	1.8
238.98643	13.6
241.00192	6.7
251.16487	0.7
256.99692	36.6
257.99985	0.8
259.01147	0.4
267.16006	0.8
296.22855	0.4
390.76816	0.4
395.13748	0.9
429.21384	4.7
430.21701	0.5
458.74228	0.4
509.16891	100.0
510.17221	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	509.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12699	0.8
54.73535	0.8
56.32563	0.9
59.01377	1.2
61.83578	0.9
61.98830	1.4
70.79010	0.9
71.00369	2.6
75.91345	1.1
78.95448	1.6
78.95892	14.7
80.33339	0.8
96.96004	1.6
96.96950	1.1
102.78423	0.7
112.11284	0.8
126.99178	1.0
152.98352	1.2
152.99577	22.8
159.45505	0.9
171.00549	1.5
196.89417	4.6
200.45250	0.8
227.03262	1.4
241.13814	1.0
245.04169	0.9
281.24817	100.0
282.25140	5.4
376.71579	0.9
435.24747	1.2
439.71576	1.1
441.66226	1.0
509.28732	48.8
510.28983	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	509.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.8
57.03433	2.8
59.01090	1.0
59.01375	15.6
61.98808	1.0
68.99815	0.8
71.01377	10.1
71.63161	1.2
72.99303	3.2
73.02935	1.7
75.00857	5.6
76.97025	0.7
78.95901	0.7
79.95730	35.9
80.96512	14.3
83.01387	3.0
85.02946	5.6
87.00866	6.8
89.02437	2.1
93.03443	1.0
94.98071	2.1
95.95229	3.8
96.96002	100.0
97.02962	0.8
99.00873	3.3
99.70181	0.6
101.02462	4.3
103.00368	1.1
111.00868	14.8
113.02447	3.8
115.00349	1.4
119.03521	0.9
120.96001	1.7
127.00328	1.8
127.07641	1.1
129.01935	10.3
134.03798	0.8
136.95499	0.9
137.02408	1.7
138.97061	8.5
150.97000	1.6
154.96536	1.3
159.02965	4.0
166.96545	1.7
177.04008	1.4
190.96553	1.4
192.98062	1.1
210.99179	3.3
218.88467	0.7
225.71735	0.7
227.57404	0.7
238.98634	21.3
241.00194	19.8
256.99695	51.4
258.00076	1.0
259.01157	0.8
289.91470	0.8
294.18518	0.7
330.17368	1.1
333.76135	0.8
342.11401	0.9
387.36990	0.9
388.17722	1.1
429.21188	2.3
431.24411	0.8
451.16400	2.6
457.22845	0.8
465.17923	67.8
466.18201	3.6
481.17508	2.6
509.17194	50.1
510.17667	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12414	0.3
59.01367	0.7
66.10294	0.3
71.08067	0.6
78.95899	7.7
96.96974	0.5
100.56611	0.3
108.30007	0.3
152.99576	13.5
171.00626	1.3
213.80591	0.4
222.48123	0.3
227.03218	2.8
229.58707	0.3
245.04259	1.4
279.23254	100.0
280.23593	5.6
282.24866	0.4
507.27222	42.2
508.27502	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06586	0.3
59.01355	1.0
67.79190	0.3
69.42813	1.7
69.43229	0.6
70.63664	0.3
78.95901	7.6
96.96947	0.6
98.19890	0.5
128.44920	0.3
152.99576	13.3
171.00684	1.4
205.96465	0.3
227.03247	2.5
245.04218	1.3
261.22244	0.4
273.68640	0.4
279.23254	100.0
280.23593	6.0
281.24985	0.4
282.25076	0.4
507.27228	35.3
508.27554	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	508.197
Annotation	erythro-Canabisine H
Peak:m/z	Relative Intensity
55.90551	0.6
59.01376	8.2
61.98828	8.6
70.95264	1.3
71.01379	3.7
72.99290	1.9
75.00862	3.7
78.95837	0.6
79.95731	3.1
80.96532	0.9
83.01393	0.8
85.02942	2.1
88.98862	0.7
89.02431	1.8
93.03455	2.0
94.07698	0.7
95.95220	1.2
96.96001	17.8
99.00871	0.7
101.02428	2.5
111.00871	0.9
113.02433	2.2
117.21601	0.7
119.03464	0.8
119.04996	1.0
121.02943	3.3
121.87016	0.7
122.03748	6.4
124.01623	0.8
128.56248	0.7
133.02954	1.9
133.05322	1.6
134.03723	3.4
135.04524	11.6
137.02380	1.0
146.13097	0.7
147.04520	2.4
148.05296	35.9
149.02454	11.1
149.06015	2.5
150.03212	47.7
151.03998	1.4
160.04088	0.7
164.04767	2.3
165.05557	45.8
165.99042	0.8
166.05884	1.5
176.03505	3.1
177.04245	2.1
178.05092	24.3
179.05487	1.7
179.07051	0.7
180.04362	3.3
190.05110	8.4
195.06610	25.3
196.06960	0.8
241.00198	3.1
253.08702	1.4
256.99713	1.0
297.10007	8.6
310.10867	0.9
312.12381	100.0
313.12714	7.3
396.69690	2.1
397.19928	1.6
460.17715	8.1
461.18369	0.9
464.30243	0.9
508.07999	3.0
508.13757	1.4
508.19571	2.6
509.16293	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	507.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.7
59.01373	3.8
59.35772	0.7
61.10196	0.5
61.98832	0.8
67.01910	0.7
68.99822	0.9
69.03458	2.2
70.31493	2.6
71.01372	7.5
72.99299	2.6
73.02923	1.0
83.01369	2.5
85.02438	1.1
85.02943	18.5
87.00871	6.4
87.04526	1.5
89.02435	1.1
89.03915	0.7
96.96014	3.8
97.02924	4.1
98.19956	0.7
99.00881	4.1
110.56766	0.6
111.00866	2.8
113.02466	1.2
115.03980	1.7
117.03434	3.6
120.99646	20.2
129.01933	15.9
134.03731	46.2
135.04424	0.9
141.01961	2.7
149.06049	5.1
159.02983	4.8
160.01645	1.0
161.02362	1.2
175.04027	2.6
178.02693	1.1
179.03542	0.8
191.05577	8.7
193.05034	41.8
194.05327	1.1
209.06642	46.2
210.06995	0.7
376.64902	0.7
385.11362	100.0
386.11691	4.9
507.11621	15.8
508.12021	0.9
521.47107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
58.00586	3.2
59.01374	71.1
69.03457	1.5
69.69474	4.3
71.01376	56.1
71.05008	1.5
72.99306	2.8
73.02937	22.6
75.00861	0.8
76.44003	0.8
76.95487	0.9
83.05014	1.9
85.02935	4.1
86.80463	0.7
87.00875	2.3
88.53568	0.7
89.02436	100.0
90.02781	0.8
92.42137	0.9
95.05024	3.0
96.96004	5.7
97.02925	1.9
97.06581	2.7
99.00871	45.0
101.02438	36.9
107.05023	6.4
113.02445	7.4
115.03982	1.1
115.07627	5.4
117.01855	0.8
119.03484	3.4
122.85213	0.8
125.02415	5.9
131.03488	19.8
135.08165	0.9
139.11269	1.9
143.03430	1.5
149.04539	72.8
149.09727	2.4
150.04840	1.3
151.00328	1.3
151.11267	40.6
153.12811	1.2
161.04562	3.5
164.08385	1.4
165.83351	0.7
165.99089	1.0
167.10753	1.2
169.12311	3.8
177.09181	3.9
185.11798	3.0
191.05569	18.6
193.12314	2.4
195.10243	55.2
196.10541	1.7
211.13313	1.3
213.11290	14.2
213.13184	1.3
214.11607	0.9
215.03479	1.5
221.06642	5.2
241.00104	1.2
243.02859	2.0
244.96880	0.8
251.07721	6.9
253.68170	0.8
255.12350	1.5
279.57941	0.9
281.08972	1.1
287.01886	2.3
293.08725	1.8
297.00348	0.9
311.09790	3.0
315.01385	2.7
330.03793	17.9
331.04080	1.8
345.06134	20.6
346.06503	0.9
396.17728	1.4
507.20905	23.7
507.27991	2.3
508.20831	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	507.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
61.98815	0.9
62.00040	0.3
71.01367	1.1
71.62376	0.4
78.95896	18.9
79.95731	3.7
85.02929	0.6
87.00898	0.3
88.98814	0.4
89.02436	0.7
96.95999	100.0
96.96946	31.2
101.02395	0.5
101.93919	0.3
109.93077	0.3
120.99652	0.6
133.32477	0.3
134.03722	0.9
136.01651	0.6
137.02412	0.6
138.03172	0.4
139.03996	0.3
149.02434	0.7
150.03139	0.8
151.04002	0.9
153.01979	0.4
158.99747	0.7
165.05545	1.3
193.04997	1.1
209.06630	0.7
216.78085	0.3
290.23907	0.3
312.17215	0.3
328.27151	0.3
342.43225	0.3
342.48474	0.3
345.12097	0.4
361.12976	0.5
385.11514	1.7
409.15085	0.6
459.09802	0.3
507.11615	3.1
508.12738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66183	0.4
59.01389	2.0
61.98825	0.5
68.80624	0.3
71.01387	1.5
72.99323	0.4
73.02941	0.4
75.32938	0.4
77.76775	0.4
78.95914	0.9
79.95729	6.7
80.96503	1.5
85.02924	1.0
87.00819	0.5
89.02427	0.8
95.95229	1.9
96.96006	56.6
98.19879	0.9
101.02429	1.2
107.17194	0.4
110.97572	5.0
112.75160	0.4
113.02450	0.5
122.97566	0.8
134.03735	22.2
135.04544	3.6
138.97038	1.9
149.06068	29.8
150.06413	1.2
150.97076	0.7
161.02446	0.5
161.06042	0.7
177.01913	0.5
180.98076	0.8
190.05013	0.5
204.06647	1.2
229.29890	0.4
232.09801	0.7
241.00218	4.2
248.09326	1.3
249.09932	1.2
250.10765	3.1
256.99728	0.9
278.10309	0.9
330.08615	26.3
331.09058	0.7
410.14508	1.2
411.15082	1.1
426.17682	2.1
491.10944	1.5
506.13297	100.0
507.13715	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	506.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21912	0.4
59.01374	5.0
59.72060	0.4
61.98824	100.0
65.67434	0.3
70.69084	1.1
72.99311	1.0
75.00865	1.2
78.95918	1.8
95.35323	0.4
96.96022	1.2
102.93927	0.3
152.99576	0.7
185.02252	1.0
191.05618	0.4
279.23276	3.7
280.23621	2.2
281.24750	2.2
282.25110	2.2
309.28094	1.1
395.18991	0.5
447.24829	0.5
448.25613	0.8
506.21597	0.8
507.27521	0.5
522.19318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84982	0.6
55.90035	0.6
59.01373	5.3
61.98825	100.0
71.63389	1.0
75.00883	0.8
77.55572	0.6
78.95911	3.1
90.96966	0.6
96.96032	2.5
152.99541	1.0
160.44089	0.7
196.03906	0.9
205.79153	0.7
279.23236	1.1
280.23654	1.4
281.24594	0.8
309.27960	9.2
448.25662	1.1
506.21271	1.0
506.32709	3.0
507.33585	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10262	1.7
59.01376	11.4
59.89066	1.7
61.98813	6.3
66.03473	6.1
69.72102	6.0
69.72517	4.9
75.00851	1.7
76.22189	1.8
78.95901	6.5
80.11006	1.8
82.02975	14.7
87.00845	2.1
94.02942	1.9
96.95982	4.0
98.20557	3.5
110.02472	42.6
110.03225	2.3
110.98492	3.8
111.02007	4.5
122.02514	3.0
140.03543	3.2
153.03058	2.0
164.03462	3.3
182.04605	2.7
185.02191	3.5
192.35542	1.8
223.43575	1.6
276.08020	2.0
279.23260	100.0
280.23599	5.1
309.28040	2.8
337.19196	4.9
447.25064	28.7
448.25424	3.0
462.28522	6.7
505.20926	22.5
505.29553	19.6
506.21033	2.9
506.30215	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	506.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34763	0.5
55.38985	0.4
56.45145	0.5
57.60397	0.6
59.01384	3.4
61.98809	1.0
66.57790	0.4
69.32774	1.1
69.33175	4.3
71.01370	1.6
79.95731	7.2
80.96513	1.1
85.02940	1.0
89.02450	0.9
92.16222	0.4
95.95255	2.5
96.96003	61.1
98.19894	1.0
101.02442	0.6
110.97562	3.1
113.02449	1.2
116.92809	0.7
117.92701	0.5
122.97564	0.8
126.65165	0.4
134.02719	0.9
134.03717	9.0
135.04535	5.0
138.97049	2.1
149.06071	12.8
150.97058	1.7
161.02370	0.7
161.06059	0.9
164.98584	0.9
180.98116	1.1
184.33247	0.4
190.05020	0.5
204.06728	1.1
209.08380	0.5
225.00708	0.7
232.09741	1.0
241.00168	3.8
248.09302	0.9
249.10088	1.2
250.10796	4.2
256.99649	1.3
260.98019	0.5
267.79678	0.6
278.10413	0.8
330.08612	30.1
331.08789	1.0
410.14429	1.3
411.15295	1.1
472.05493	0.5
491.10968	1.7
506.13303	100.0
507.13690	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	505.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	3.2
56.25156	3.1
56.64163	3.0
58.00587	2.7
59.01373	91.5
71.00989	3.8
71.01376	64.2
72.99306	5.7
73.02943	27.8
75.00877	3.0
77.06783	3.0
78.95889	5.2
83.05029	2.8
85.02952	15.0
87.00887	2.8
89.02441	100.0
89.50034	2.4
96.96014	26.3
97.02931	3.3
99.00868	31.2
101.02442	46.1
110.98536	5.8
113.02459	13.0
113.62302	2.7
113.68055	2.9
118.64978	3.0
119.03471	15.6
125.02444	6.0
131.03493	16.7
135.04437	3.1
143.03448	3.2
149.04546	57.3
179.05573	7.0
191.05598	14.0
251.07751	5.6
325.16541	8.2
445.17114	92.0
446.17487	9.2
505.15512	11.4
505.22992	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25045	0.8
59.01376	80.5
68.92706	0.7
71.01374	2.9
71.03706	0.7
71.62789	0.9
73.02931	0.9
79.95730	2.5
85.02929	1.9
86.16612	0.9
88.98805	1.0
96.96004	14.2
101.02471	2.0
105.03426	1.2
113.02471	0.9
116.92854	5.8
120.99614	1.2
128.03513	1.1
134.03729	2.1
135.04504	1.5
138.97134	1.2
149.06075	2.4
151.03967	2.2
155.05334	2.1
161.02449	12.2
161.04510	1.1
166.00923	1.0
176.04770	9.8
179.03470	22.4
180.03900	1.2
191.05608	1.4
191.07129	4.7
194.05821	28.5
209.08179	100.0
210.08495	3.2
241.00349	0.9
261.08530	0.8
262.94202	0.8
276.27393	0.8
330.08609	6.6
337.56461	0.9
343.11472	1.2
350.97726	0.8
355.95349	0.8
399.06836	0.9
445.16815	1.1
505.10559	1.5
505.18356	1.0
506.13214	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	505.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10601	1.1
56.52460	1.2
57.03432	5.2
59.01378	15.8
67.48138	1.2
68.99815	1.9
69.03458	6.7
71.01382	18.3
71.63056	1.5
71.63412	1.4
72.99297	9.2
73.02943	1.8
75.00890	1.9
79.01885	3.0
79.95725	3.6
83.01376	3.6
85.02946	21.3
87.00853	9.3
87.04501	3.6
88.68935	1.2
89.02441	4.3
93.03455	44.5
94.03767	1.8
95.01366	2.2
96.96004	20.2
97.02946	7.6
99.00877	5.1
99.98244	1.5
101.02436	4.8
111.00873	8.4
111.08137	1.4
113.02473	3.8
115.04007	4.1
117.03419	4.7
121.02904	2.1
123.00851	1.2
123.04493	1.2
128.22354	1.4
129.01936	16.9
134.02710	2.4
134.03731	53.4
137.02437	100.0
138.02736	2.8
139.00400	6.7
140.01161	5.8
141.01909	3.7
149.06007	7.6
155.03522	8.6
159.02980	3.8
160.01653	12.0
166.02670	3.0
173.04538	10.2
173.08272	1.4
175.03986	17.0
176.04575	1.2
178.02727	2.8
179.03467	2.4
181.05177	1.6
191.05609	14.0
191.07167	2.3
193.05048	44.5
205.12183	1.3
208.27713	1.2
209.04686	2.1
209.06654	29.0
217.08740	1.7
233.08087	2.3
235.06096	2.9
241.00270	5.3
242.00484	1.5
247.06184	1.3
261.07639	1.9
275.05591	2.6
285.04019	4.8
286.04691	1.6
301.07162	7.0
311.07745	20.4
329.08755	52.7
330.08984	2.0
367.10315	32.8
368.10696	1.5
385.11380	44.7
386.11505	3.2
417.15891	2.0
445.24078	1.8
470.16098	3.6
479.76074	1.5
505.13461	4.3
505.17499	12.9
505.26428	16.9
505.33640	1.8
506.27097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1347
Annotation	Okanin 4-methyl ether 4'-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
54.97847	0.3
55.54844	0.2
57.03463	0.5
59.01373	3.2
61.98837	0.7
63.02387	3.1
65.00317	6.9
69.03474	0.7
69.44466	2.4
71.01376	2.2
72.99328	0.6
73.02970	0.6
76.29523	0.3
79.95763	1.2
80.02743	0.4
81.28635	0.3
83.01384	4.8
85.02941	1.8
87.00909	0.4
89.02467	0.9
93.03455	3.4
95.95261	0.4
96.96004	4.6
97.02971	0.5
98.20629	0.3
99.00889	0.8
101.02458	0.9
107.01382	13.3
108.02177	6.4
113.02447	0.6
113.13023	0.3
115.04018	0.3
121.02934	0.5
123.00832	0.3
123.04523	3.4
124.01682	0.4
125.02442	0.8
127.84541	0.3
129.01915	1.5
133.02956	0.3
134.03731	21.2
135.04584	0.7
136.01645	3.5
137.02425	6.8
149.02434	0.4
149.06068	13.4
150.03223	0.7
151.00360	40.3
152.00775	1.1
159.03116	0.3
160.01628	1.7
161.02429	0.4
164.01134	5.9
165.01895	2.3
169.01425	1.4
174.03236	0.8
175.03969	2.3
177.01901	4.4
179.03404	0.4
191.05577	1.3
193.05055	3.1
196.00110	3.1
199.03957	0.8
201.02011	0.5
209.06575	1.4
215.03526	0.6
241.00157	0.8
242.05815	0.7
256.99515	0.4
285.03992	0.5
286.04797	2.2
301.07141	100.0
302.04211	0.6
302.07425	5.2
311.07742	3.6
321.15381	0.3
329.08713	4.6
343.08008	1.1
367.10300	2.7
385.11142	1.3
397.03015	0.3
463.12564	0.4
505.12997	15.5
505.25519	0.9
506.13602	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02384	0.9
50.67524	0.9
55.01868	1.0
57.03434	4.2
59.01378	10.5
67.01865	1.1
68.99809	2.9
69.03451	6.6
71.01374	11.8
72.99303	8.4
73.02953	1.1
75.00854	1.9
79.01876	3.0
79.95738	1.0
83.01368	3.7
85.02943	18.2
87.00854	9.4
87.04516	2.3
89.02410	2.2
89.03922	1.1
93.03448	45.0
95.01373	1.3
96.96009	9.0
97.02935	8.9
99.00878	5.5
101.02439	2.8
108.02161	0.9
111.00864	6.3
113.02431	3.3
115.03994	2.9
117.03451	4.3
119.03473	1.2
121.02946	1.6
129.01059	1.3
129.01932	16.4
132.02116	2.3
134.03731	64.6
135.04030	1.5
137.02435	100.0
138.02751	1.5
139.00319	2.7
140.01134	2.3
141.01913	4.1
149.06052	9.9
150.90126	0.9
155.03482	6.9
159.02982	4.3
160.01645	14.9
161.02119	1.2
166.02702	1.4
173.04509	11.5
175.03975	17.2
176.04457	1.4
178.02654	2.9
179.03481	2.2
181.05057	1.8
191.05592	15.3
191.07137	1.9
193.05040	61.8
194.05350	1.7
209.06638	33.5
217.08681	1.4
229.55991	0.9
233.08208	2.3
235.06085	2.8
241.00172	2.6
247.06149	1.0
254.83128	1.0
261.07669	1.6
275.05667	2.1
285.03796	1.3
291.08481	1.0
301.07083	3.8
311.07718	17.7
314.47116	1.0
329.08759	46.3
330.09021	3.1
335.07727	3.2
349.47177	0.9
356.09402	1.0
367.10303	41.5
368.10574	3.0
385.11383	58.8
386.11600	2.8
403.18842	1.1
445.24338	1.1
470.15790	1.7
505.17276	7.4
505.26401	7.8
505.33353	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.0
61.98824	0.5
70.82482	1.0
72.21770	0.4
75.00853	0.5
78.95889	1.0
80.00265	0.3
92.07363	0.4
93.03460	0.5
94.17538	0.4
98.20602	0.4
121.02944	100.0
122.03313	1.9
152.99567	0.8
160.01703	0.8
175.03949	1.8
179.04941	0.4
180.05777	0.4
181.06546	2.8
197.06065	2.3
207.04460	1.3
223.03902	0.5
225.05536	2.5
232.21408	0.4
236.02193	0.4
245.04228	1.2
246.04590	0.6
251.06960	0.4
257.09677	0.8
311.20691	0.4
313.07132	4.9
357.06155	1.0
373.10709	0.4
383.07687	1.3
417.09732	9.0
418.09937	0.5
433.09476	0.5
461.12369	0.5
505.11374	11.1
505.27298	2.2
506.11661	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98082	0.3
56.03220	0.3
58.05498	0.3
61.98827	100.0
69.64838	0.3
71.01374	0.3
71.25227	0.5
75.00861	0.4
85.02977	0.7
90.17538	0.3
104.68314	0.3
105.49149	0.3
107.76488	0.3
156.92265	0.3
165.93904	0.3
255.23196	1.8
272.08447	0.3
279.23419	0.4
307.26627	0.4
505.30096	2.1
517.16229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.07432	0.2
59.01378	3.5
61.98816	0.7
63.02376	0.2
65.00311	1.0
69.25608	1.8
71.01378	2.6
72.99306	1.1
73.02944	0.9
79.95737	0.5
83.01377	0.9
85.02958	1.0
87.00885	0.3
88.98804	0.5
89.02443	2.8
94.02967	0.4
96.96014	2.1
99.00887	0.9
101.02456	1.8
107.01382	1.6
107.47227	0.2
108.02153	1.9
109.02964	0.6
113.02457	0.6
115.54427	0.2
117.03671	0.2
119.03491	0.4
121.02988	1.3
130.08752	0.5
131.03490	0.4
131.09097	0.3
135.00874	1.0
137.02451	0.4
138.02026	0.3
142.54962	0.2
143.89836	0.2
148.00558	0.3
148.01625	1.8
149.04564	2.2
151.00360	7.8
152.00946	0.2
159.04451	0.3
161.02452	0.6
162.02310	0.4
163.00366	2.1
164.01173	0.7
165.01881	0.3
169.01462	0.5
169.94847	0.2
178.99847	3.9
183.04524	0.4
187.03964	0.3
190.02788	0.2
190.99805	0.3
191.05608	0.8
192.00688	0.5
198.03230	0.3
199.03992	0.9
201.02005	0.3
203.03638	0.3
211.03967	1.2
215.03529	0.7
216.04240	0.6
226.02687	1.4
227.03494	2.8
229.04997	0.5
239.03438	0.3
241.00223	2.4
243.02948	11.0
244.03514	0.6
245.04416	0.6
254.02202	2.2
255.02957	25.5
256.03326	1.3
263.12973	0.3
271.02444	56.6
272.02942	3.6
273.03967	0.6
283.02457	1.0
299.02017	1.2
300.02716	100.0
301.03433	27.8
302.03998	1.1
325.20178	0.5
343.04465	0.6
412.80911	0.3
463.08774	5.2
464.09259	0.4
504.27322	0.6
505.09793	67.9
505.26276	2.7
506.10126	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	504.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
60.43538	0.6
61.98827	100.0
70.95073	1.2
70.95410	0.7
78.00820	0.7
78.95898	1.2
79.61848	0.7
80.95101	0.7
96.00916	0.9
96.96049	0.7
97.06190	0.7
103.18024	0.7
104.21579	0.6
115.35651	0.8
119.80196	0.6
130.95520	0.6
143.11888	1.2
152.99557	1.3
279.23230	9.6
303.98724	0.8
307.26453	1.7
314.05087	0.7
325.88281	0.7
456.62009	0.8
491.38025	0.7
504.27496	1.8
504.34592	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	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70942	0.3
57.36367	0.3
58.16174	0.2
59.01368	0.3
61.98825	100.0
69.65742	1.8
78.95893	0.7
82.02979	0.4
96.96028	0.5
98.00921	0.2
110.02493	0.7
125.65656	0.3
142.89227	0.2
152.99513	0.5
238.67207	0.3
249.78278	0.3
279.23273	5.4
279.26254	0.3
280.23563	4.9
311.15576	0.3
313.74210	0.3
360.49118	0.3
504.27954	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01094	0.8
59.01375	12.2
61.98821	0.8
69.51335	3.1
70.74535	0.4
71.01366	2.8
72.99298	0.9
73.02946	0.8
75.00858	1.1
79.95731	1.5
83.01378	0.6
85.02941	1.4
86.96443	0.3
87.00894	0.6
89.02435	1.1
95.95210	0.6
96.96002	6.5
99.00879	0.6
99.76294	0.4
101.02432	1.2
110.00119	0.6
111.00849	1.0
112.32254	0.4
113.02422	0.9
116.05044	1.1
117.03430	0.4
124.28625	0.4
129.01936	1.0
133.02916	0.9
134.03738	0.8
135.04510	2.2
136.03963	0.4
139.00400	0.5
140.01089	0.5
142.05107	2.0
150.96928	0.5
156.06920	0.5
159.15317	0.4
161.02434	3.2
171.09268	3.4
172.07716	0.5
175.03984	0.5
179.03433	1.8
184.06354	0.7
185.07248	1.0
189.57520	0.5
191.05557	0.5
193.05026	0.9
198.07932	0.9
199.08752	100.0
200.09068	3.8
210.07903	0.7
240.91048	0.4
241.00241	1.8
243.07715	1.5
245.09500	0.4
246.08440	0.6
255.10176	0.8
256.99771	2.2
267.63889	0.5
270.16037	2.0
284.03192	0.5
285.03543	0.7
286.04739	0.6
298.15579	27.3
299.15964	1.4
301.07227	0.9
312.08905	0.5
324.13538	1.0
342.14569	65.2
342.61472	0.6
343.14969	3.6
353.08740	0.8
423.12738	0.5
424.17392	0.6
445.11475	0.5
490.10931	0.7
493.17548	0.7
503.69324	0.6
504.15817	1.9
505.13306	0.9
531.38147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.6
61.98826	1.4
64.37601	0.3
71.01376	1.7
73.02917	0.4
79.95760	0.5
85.02955	1.0
89.02445	1.0
91.05605	0.3
93.03443	0.3
96.96001	2.2
99.00852	0.5
101.02426	0.9
107.05021	0.4
109.02954	0.5
109.80958	0.3
113.02399	0.4
115.19094	0.3
123.04517	0.4
124.01621	0.5
130.08728	14.4
131.09087	5.1
132.09212	2.0
133.02971	0.9
134.03738	5.2
135.04514	14.4
136.04010	0.3
136.04843	2.1
137.02483	0.6
147.04515	4.3
148.05292	31.9
148.12712	0.4
149.06071	3.6
150.03206	0.5
160.04054	0.3
161.02414	2.4
162.02773	0.5
162.06844	2.6
163.06351	0.7
175.02682	0.3
175.04062	0.4
176.03513	3.6
177.04300	3.3
178.05081	25.7
179.03488	4.7
179.05232	0.6
180.03818	2.6
190.05080	8.8
190.06799	0.5
191.05579	0.4
192.06644	1.9
203.03629	0.4
204.06656	1.1
226.89943	0.3
230.08208	1.2
241.00407	0.9
262.10886	1.4
269.76453	0.3
283.09784	1.6
326.10364	0.8
327.11063	11.1
328.11502	1.0
333.62885	0.3
342.13412	100.0
343.13757	6.4
343.24887	0.3
503.26920	4.0
504.11871	1.6
504.27094	19.2
505.27054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24231	1.2
59.01374	19.8
61.98825	3.7
69.47092	2.2
69.47491	9.0
71.01381	12.8
73.02937	5.3
78.95899	4.3
83.01355	1.4
85.02934	2.0
89.02434	3.3
92.53014	1.1
95.26530	1.2
99.00904	1.3
101.02445	4.4
108.62700	1.2
110.98524	4.4
113.02442	8.0
115.13757	1.1
119.03475	2.2
161.04494	1.2
163.38832	1.2
174.97420	1.1
177.74791	1.4
185.02171	9.8
189.13489	1.2
253.21852	3.0
265.25287	4.3
267.29358	1.4
277.25174	1.7
281.24823	84.3
282.25198	3.7
293.24713	3.4
295.26385	100.0
296.26682	5.0
305.24802	7.9
323.25879	18.4
335.25879	1.6
339.25281	2.2
353.26917	2.8
421.23465	3.2
503.34305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14130	3.0
59.01373	18.8
60.25748	4.1
61.98817	5.9
65.84379	3.1
67.46543	3.1
70.95209	8.0
70.95535	3.7
71.01381	15.8
76.45199	4.5
78.95890	3.4
85.02965	4.4
87.00867	7.0
88.98801	9.9
89.02418	5.0
101.02415	4.2
110.98553	8.1
113.02420	9.3
162.91331	3.9
172.71544	3.2
185.02167	14.3
214.94470	3.8
265.25217	8.0
281.24847	100.0
282.25232	5.5
293.24918	4.9
295.23087	7.2
295.26389	91.8
297.27615	3.4
305.24646	8.3
323.25870	21.4
324.81699	3.8
339.25296	5.2
353.27081	5.1
414.30185	14.9
415.30399	3.9
421.23218	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	504.1871
Annotation	Alangiside
Peak:m/z	Relative Intensity
53.49692	0.3
57.52785	0.3
58.28043	0.3
59.01364	0.9
69.77910	0.9
69.78315	1.0
75.06724	0.3
78.92711	0.3
85.02911	0.4
87.97220	0.3
92.96590	0.3
96.95995	1.0
103.92692	0.3
109.02940	0.6
110.72647	0.3
122.03777	0.6
123.04507	1.0
133.02943	0.8
134.03741	4.4
135.04520	11.0
136.03987	0.3
147.04504	3.4
148.05289	31.7
149.06055	3.5
160.03989	0.3
161.02454	0.9
162.05618	0.4
162.06854	1.6
163.06351	0.9
175.03976	0.6
176.03525	3.4
177.04337	2.7
178.05077	24.0
179.05434	1.2
189.04341	0.6
190.05067	9.1
191.05609	0.6
192.06664	2.5
195.25644	0.3
204.06607	1.2
273.83133	0.3
283.09775	1.1
298.10727	0.4
327.11066	11.5
328.11514	0.9
342.13403	100.0
343.13693	6.8
343.17590	0.5
410.93927	0.3
452.51843	0.4
504.19049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2493
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
53.33950	0.2
54.34155	0.2
55.01643	0.3
55.01875	2.5
56.92686	0.2
57.03447	3.1
58.00594	1.0
58.64406	0.3
58.93145	0.2
59.01376	22.9
61.98817	0.8
68.99825	0.4
69.03452	1.4
71.01377	40.8
72.01724	0.4
72.99300	1.5
73.02940	15.1
75.00860	1.2
81.03466	0.7
83.01378	4.7
83.04999	0.4
84.04533	0.7
85.02943	18.8
86.00097	0.5
87.00871	2.2
88.69964	0.2
89.02438	14.5
95.01385	3.0
96.96004	1.7
97.02951	2.6
98.19867	0.7
99.00875	7.5
99.04501	0.5
101.02436	29.8
102.02763	0.7
103.04054	0.3
109.02948	0.2
111.00895	1.0
113.02443	14.5
115.04018	1.8
119.03522	2.1
123.04523	0.3
125.02443	3.3
127.04029	0.3
129.01944	0.9
130.08730	3.8
131.03496	2.5
131.09077	0.8
133.02960	0.3
134.03758	0.3
135.04514	1.0
135.49030	0.3
137.09712	0.5
141.01938	0.3
143.03468	2.0
149.02437	0.7
149.04556	3.6
149.09682	0.3
150.03198	0.7
153.05602	0.3
159.02979	2.8
161.02400	0.7
161.04543	12.3
162.02295	5.3
165.05563	1.3
175.88847	0.2
178.04921	0.2
179.03519	0.9
179.05591	0.3
190.06364	0.2
191.05544	1.2
193.03532	0.2
193.04980	1.6
195.06567	0.7
205.03513	0.3
208.67712	0.2
209.06566	0.3
209.15453	5.0
233.06662	3.0
241.00101	0.4
277.29141	0.3
279.16135	0.4
293.08752	2.8
303.13470	0.8
341.13937	1.3
371.20703	34.1
372.21063	2.4
374.10599	0.9
383.09604	0.4
415.16385	0.3
503.24951	100.0
504.25311	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	503.1187
Annotation	5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-(6''-acetyl)-galactoside
Peak:m/z	Relative Intensity
55.36195	0.9
57.03444	1.1
59.01127	1.1
59.01377	11.5
59.61895	0.8
61.98824	1.1
65.00314	11.8
68.74363	0.7
68.99833	1.1
69.03430	0.9
70.53053	2.0
71.01390	5.3
72.99316	1.6
73.02950	2.5
75.00883	1.2
79.95739	1.6
82.08843	0.9
85.02929	7.6
87.00858	1.1
89.02435	2.1
95.04975	1.0
96.95441	1.6
96.96004	19.6
96.96945	1.1
96.99287	1.1
97.54068	1.0
98.95559	1.0
99.00894	1.5
101.02435	2.4
107.05078	0.9
109.02944	1.7
110.00114	2.0
112.19471	1.1
113.02431	3.6
113.94382	0.9
117.03459	4.8
123.00837	2.9
123.08165	7.2
124.01604	1.7
130.08733	1.2
133.02937	1.7
135.04501	1.1
136.98793	23.2
137.02394	3.7
138.03139	1.0
139.07549	1.4
141.03438	1.2
151.00357	1.1
152.01091	2.5
152.91539	1.0
159.04559	1.4
161.02371	1.1
164.98276	15.1
165.99025	3.4
167.04907	1.6
175.04008	1.2
175.61696	0.9
177.09192	1.3
177.21378	1.1
180.00691	1.1
181.01381	3.6
183.04457	11.9
185.02409	13.5
189.98947	1.0
193.01402	1.2
197.02312	1.6
200.04720	2.8
211.04004	2.9
212.04674	3.3
213.01883	13.6
214.02567	1.8
223.03929	1.8
223.06056	2.4
239.03531	1.1
240.04132	1.7
241.00247	2.6
249.14917	1.6
255.02968	52.1
256.03467	2.8
262.14401	1.3
267.02811	1.2
268.03741	1.7
271.06241	1.5
273.14984	2.0
281.04507	1.3
283.02454	98.7
284.03210	63.7
285.03699	3.4
297.03922	3.0
297.07077	1.0
298.04684	3.2
299.05573	100.0
300.06027	4.9
301.17770	1.4
308.03271	15.1
309.03815	2.5
319.19177	1.0
323.05527	14.3
325.17917	1.2
326.04221	3.3
330.87445	1.1
338.04529	1.3
341.06613	14.6
342.06995	1.1
343.19055	7.0
353.06442	2.1
361.20135	25.7
362.20627	1.0
443.09991	2.1
459.21930	1.4
467.09247	1.0
473.28549	1.2
485.28787	1.5
488.09555	28.9
489.10071	1.2
503.11823	54.9
503.17734	2.4
503.31024	4.9
504.12283	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	503.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11468	0.8
55.95908	0.7
57.03437	1.4
59.01122	1.1
59.01372	9.8
61.98816	1.3
65.00317	14.0
68.99810	1.0
71.01030	0.8
71.01360	4.7
72.99296	1.4
73.02929	2.2
75.00871	1.0
75.68671	0.7
76.41049	0.8
79.95722	1.3
83.01379	0.9
83.05016	0.8
85.02943	6.7
86.26410	0.7
87.00897	1.0
89.02435	2.8
95.05000	0.9
96.96001	11.7
96.99312	0.8
97.06602	1.2
99.00871	1.1
101.02434	3.2
102.50188	0.8
107.05020	1.3
108.02141	1.4
108.99287	1.2
110.00102	2.7
111.00844	1.2
113.02444	2.4
117.03452	3.5
123.00846	1.8
123.08150	7.4
124.01672	1.2
130.08794	1.1
133.02905	2.5
136.98787	22.5
137.02415	5.3
139.00325	0.8
145.48145	0.7
149.07117	0.8
150.26196	0.8
151.00392	0.9
152.01160	2.2
160.01660	0.9
164.98271	17.3
165.99020	2.6
167.05002	1.7
174.03036	1.0
181.01402	4.5
181.10724	0.8
183.04471	11.3
185.02397	11.5
187.03972	1.6
197.02414	1.2
200.04759	3.5
211.03966	3.6
212.04747	3.1
213.01923	15.5
214.02657	2.2
222.69853	0.8
223.06117	1.3
239.03322	1.8
240.04175	1.2
241.00101	1.8
247.12108	1.7
249.14888	1.6
253.04961	0.9
255.02950	60.4
255.13737	1.0
256.03354	2.6
256.99725	0.8
262.14380	2.5
268.03662	1.3
269.04633	1.4
271.06000	2.7
273.14908	2.1
281.04428	1.2
283.02444	100.0
284.03195	67.7
285.03656	3.4
297.03979	4.1
298.04639	4.0
299.05569	94.3
300.05853	4.2
308.03250	13.8
309.03738	1.3
310.22430	0.9
313.07138	1.3
319.19116	1.0
323.05524	15.8
325.18155	1.6
326.04327	4.0
327.05045	1.1
338.04562	0.9
341.02588	0.9
341.06644	14.7
343.19098	7.0
353.06436	1.6
361.20172	21.8
430.70016	0.9
459.22424	1.1
460.18390	1.3
460.69992	0.9
473.28882	1.7
475.12381	1.2
485.29272	1.8
488.09564	27.7
489.09961	2.8
503.11877	58.7
503.30899	4.4
504.12088	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
56.72336	0.3
56.72622	0.3
57.03438	0.4
58.00595	0.4
59.01378	9.5
62.82021	0.3
64.85942	0.3
69.26168	1.7
69.26601	1.8
71.01379	5.5
72.99313	0.5
73.02956	0.7
85.02940	2.1
88.07317	0.3
89.02444	3.2
95.01444	0.4
98.19786	0.5
101.02422	3.1
105.20361	0.3
113.02445	1.6
130.08730	89.0
131.09061	1.3
133.05098	0.4
135.04509	1.5
161.02310	0.4
179.03465	1.2
190.53111	0.3
304.19083	0.8
322.20047	1.7
502.26526	100.0
503.26852	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	502.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
69.44394	5.1
71.01383	4.5
71.42883	0.7
83.01395	0.7
85.02945	1.5
89.02435	3.8
93.61893	0.6
101.02432	2.5
106.79914	0.6
113.02421	2.1
119.03481	1.3
130.08727	100.0
131.09042	2.0
133.76234	0.6
139.04680	0.8
141.47447	0.7
322.20239	1.9
484.25717	0.6
502.26520	98.2
503.26874	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	502.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07805	0.3
61.98826	100.0
69.33177	2.5
110.26936	0.3
150.20116	0.3
175.25038	0.3
186.94171	0.3
205.35495	0.3
277.21768	0.8
278.22131	0.8
380.50235	0.3
502.32813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53982	0.1
58.59356	0.1
59.01374	0.9
61.98832	0.1
64.73035	0.1
69.48836	0.5
71.01398	0.2
72.20911	0.1
73.34346	0.1
77.79289	0.1
78.95897	6.6
81.54736	0.1
83.05046	0.2
96.96984	0.1
97.06639	0.1
106.78261	0.1
127.07632	0.2
152.99582	0.7
168.04279	1.9
171.00632	0.1
173.30544	0.1
205.19563	0.1
224.06897	1.1
231.21230	0.1
233.22766	0.3
242.07971	3.0
245.04286	0.2
259.20578	0.6
275.20093	0.5
277.21680	100.0
278.22028	5.3
283.26321	0.1
347.64462	0.1
502.29318	11.0
503.29749	0.8
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
61.98827	100.0
65.19265	0.3
70.93554	0.6
87.17929	0.2
96.94047	0.3
106.95811	0.3
130.50491	0.3
143.37624	0.3
145.86125	0.3
191.34479	0.3
209.52632	0.3
225.50124	0.3
251.88982	0.3
314.45264	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04700	0.6
59.01379	11.5
61.98840	0.7
65.43776	0.6
69.40775	5.8
69.41101	1.4
71.01379	7.1
72.99313	1.0
85.02949	2.3
89.02429	3.7
95.01315	0.6
96.96005	1.7
101.02447	2.7
113.02463	1.1
114.94095	0.7
118.65237	0.6
128.10838	0.8
130.08736	93.3
131.09067	1.9
182.76398	0.7
183.27074	0.6
194.97221	0.6
221.14117	0.6
224.72389	0.6
322.20224	1.9
502.26532	100.0
503.26831	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	501.322
Annotation	Ganolucidic acid B
Peak:m/z	Relative Intensity
59.01374	0.4
60.99312	0.2
71.61379	0.3
125.09701	0.6
146.19025	0.2
162.67177	0.2
163.82506	0.2
175.56630	0.2
187.09608	0.3
324.26971	0.2
331.24872	0.2
389.92236	0.2
391.30240	0.3
393.31763	0.2
395.29504	0.5
411.33203	0.3
437.30569	8.3
438.30884	0.9
439.32126	21.2
440.32547	2.0
451.28864	0.2
457.33395	0.3
501.32199	100.0
502.32544	10.4
525.70013	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3216
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
50.22331	0.4
51.87191	0.5
52.90919	0.4
59.01357	1.1
61.98833	0.8
63.13690	0.5
71.62106	0.5
73.24287	0.4
92.29841	0.5
94.80585	0.5
96.22413	0.4
96.95997	0.7
108.88071	0.5
113.68256	0.5
257.21652	0.5
301.82843	0.5
329.25098	0.9
366.83389	0.5
395.29593	2.8
397.31293	1.1
441.30133	1.8
457.33517	2.6
483.31311	1.0
501.32193	100.0
502.25052	0.8
502.32480	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	501.2338
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
55.01866	0.5
57.03452	4.2
58.00594	0.4
59.01093	0.6
59.01377	9.4
67.01876	1.0
67.35548	0.4
68.99800	0.9
69.03453	4.6
71.01375	10.4
71.05011	1.3
71.24348	0.4
72.99305	3.4
73.02930	1.3
74.73827	0.4
75.00870	12.9
81.03443	0.4
83.01384	0.5
83.05027	0.5
85.02944	12.1
85.06599	0.8
87.00864	4.5
88.14978	0.4
89.02442	3.0
93.03424	0.7
95.01383	3.5
96.95999	0.8
97.02961	0.5
99.00874	6.7
99.04507	5.5
101.02435	1.1
103.00379	1.1
111.00860	1.9
111.04571	0.4
113.02438	14.0
113.03233	0.8
115.00352	1.4
117.01956	2.1
121.06529	0.4
129.01930	1.2
157.01463	0.7
166.20264	0.4
175.02466	1.8
179.14389	0.6
181.12309	0.6
189.04129	0.5
191.14374	0.6
231.05042	1.6
249.06099	14.1
250.06364	0.6
251.16492	33.8
252.16846	1.9
266.12436	0.4
267.07156	3.9
306.25305	0.4
344.61807	0.5
359.69250	0.9
483.22372	2.4
501.23361	100.0
502.23755	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	501.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01712	0.8
66.83472	0.2
71.01373	1.0
72.99300	0.3
73.02931	0.2
75.00868	0.4
78.95871	0.2
80.38737	0.2
81.37447	0.2
83.01383	0.3
85.02968	0.5
89.02462	0.3
96.96014	0.5
99.00871	0.4
101.02455	0.4
105.25062	0.2
113.02447	0.6
143.03464	0.2
161.04552	0.4
305.87811	0.2
373.57037	0.2
399.23886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33884	3.3
56.58431	2.6
57.07822	2.8
59.01086	6.2
59.01374	77.8
61.98820	6.7
71.01380	43.0
71.62761	6.6
73.02930	7.4
75.00864	4.2
78.95895	9.9
85.02947	34.0
89.02429	13.3
95.01372	12.5
97.02947	3.6
101.02437	24.5
113.02444	66.8
119.03498	17.1
135.21460	3.1
143.03444	6.3
152.99545	14.9
161.04533	9.4
279.20367	6.2
279.23248	100.0
280.23489	3.9
293.24881	21.3
303.22937	4.0
309.70160	3.9
321.24390	33.3
333.24301	6.6
351.25189	7.7
433.23447	3.9
483.78574	3.7
501.32184	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	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.1
58.20782	1.1
59.01377	100.0
60.36229	1.0
71.00459	2.5
71.01370	9.5
73.02940	2.9
85.02933	3.5
89.02461	5.9
95.01354	1.4
96.95985	4.0
99.00849	1.3
101.02430	4.7
101.13704	1.2
113.02440	6.4
119.03497	3.1
130.08743	4.4
143.03484	1.1
161.04582	3.3
187.36887	1.2
271.89352	1.3
343.96240	1.1
397.22333	1.3
415.23474	2.5
423.20758	1.1
501.20096	1.9
502.26447	4.1
525.46002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31963	0.7
59.01374	100.0
69.40147	7.3
71.01376	12.2
72.26030	0.8
73.02925	3.0
74.94652	0.7
79.95706	0.9
83.01387	1.7
85.02946	4.6
89.02441	6.4
95.01344	1.0
96.95979	5.3
99.00851	1.8
101.02425	7.2
113.02444	9.8
119.03478	2.6
121.02916	1.0
121.33201	0.8
130.08720	4.1
135.26369	0.8
143.03497	1.6
151.00322	2.3
161.04538	5.1
173.08232	0.8
178.99797	1.5
179.05531	1.6
301.03467	5.5
397.22284	5.1
415.23215	4.2
463.08765	5.1
465.08856	0.9
501.19611	1.7
501.26285	1.4
502.25980	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01377	100.0
60.01717	1.1
61.98826	1.3
70.61100	1.0
71.01379	14.8
72.99309	1.9
73.02937	6.6
75.00898	2.0
79.95741	1.4
82.95426	1.2
83.01406	2.6
85.02941	11.0
87.00861	1.8
87.04505	1.4
89.02435	8.2
95.01370	1.5
96.96002	21.0
97.02948	1.1
99.00877	2.8
101.02438	10.8
113.02429	11.7
116.33171	1.0
119.03502	4.1
119.99732	0.9
129.01985	1.3
135.04547	6.2
138.97081	1.2
143.03438	1.7
161.04559	4.6
179.05659	1.5
229.52478	1.3
235.13461	2.4
241.00089	1.4
251.66875	1.1
267.63858	1.1
279.10776	1.6
282.37326	1.2
315.03830	1.5
321.16916	1.1
325.34103	1.1
397.22287	10.6
415.23413	5.7
457.20465	1.3
501.16348	1.2
501.23373	5.4
525.12512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
59.01375	100.0
60.01691	1.1
61.98823	1.6
69.03439	1.9
69.59254	8.4
71.01379	21.1
72.99320	2.9
73.02936	13.1
75.00868	1.7
78.74273	1.1
79.95733	4.2
83.01407	3.2
85.02930	5.7
87.00871	2.8
89.02428	9.0
95.01397	2.5
96.96003	24.4
97.02943	1.8
98.95622	1.7
99.00905	1.4
101.02444	13.8
109.02968	1.7
111.00889	2.3
113.02451	10.4
119.03534	2.3
125.02415	1.3
130.08745	1.8
131.03505	1.6
135.04515	14.3
138.97029	1.8
143.03455	1.7
149.04582	1.6
151.00325	1.2
153.01953	1.3
161.02504	6.2
161.04553	4.2
163.03979	1.4
166.05093	6.6
175.03922	1.7
193.05058	2.2
205.12047	1.3
207.13960	1.3
209.06558	1.3
235.13205	1.4
241.00215	5.6
276.37811	1.5
319.14093	3.1
365.08640	3.6
390.21411	4.0
390.71542	1.6
397.22189	2.6
501.19989	8.7
503.36130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01377	4.4
61.98817	1.4
68.99810	0.5
69.03456	1.1
71.01379	19.0
72.99291	1.9
73.02953	0.7
75.82232	0.3
79.01906	0.8
79.95749	0.5
83.01404	0.4
85.02945	2.0
87.00870	12.8
87.04500	1.9
89.02434	5.6
96.96005	5.1
97.02954	1.0
99.00890	1.1
101.02441	1.5
108.05428	0.3
111.00883	0.7
111.04546	0.3
113.02473	0.4
117.03464	1.1
119.03542	0.5
120.65736	0.3
128.10858	0.7
129.01942	1.2
130.08725	22.5
130.28796	0.3
131.08344	0.4
131.09094	4.5
132.02147	0.6
133.05061	100.0
134.03735	11.0
134.05408	1.3
135.04524	0.3
141.01892	0.7
149.04549	1.5
149.06087	1.5
149.46855	0.3
155.03540	1.1
159.03027	0.6
160.01627	3.1
162.03241	0.4
172.09776	1.1
173.04555	1.3
173.10167	0.3
175.04008	3.6
176.04816	0.4
189.09224	0.4
189.31073	0.4
191.05586	1.9
193.05032	9.8
194.05397	0.5
209.06714	1.7
233.08218	1.0
235.06151	1.0
242.26404	0.4
247.06151	0.3
261.07663	0.4
275.05585	1.4
330.06689	0.4
335.07761	0.5
367.10281	11.5
368.10721	0.8
385.11343	6.3
457.21027	1.0
500.24933	6.0
501.17627	1.3
501.25400	16.1
502.26260	2.4
513.37360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01377	4.4
61.98817	1.4
68.99810	0.5
69.03456	1.1
71.01379	19.0
72.99291	1.9
73.02953	0.7
75.82232	0.3
79.01906	0.8
79.95749	0.5
83.01404	0.4
85.02945	2.0
87.00870	12.8
87.04500	1.9
89.02434	5.6
96.96005	5.1
97.02954	1.0
99.00890	1.1
101.02441	1.5
108.05428	0.3
111.00883	0.7
111.04546	0.3
113.02473	0.4
117.03464	1.1
119.03542	0.5
120.65736	0.3
128.10858	0.7
129.01942	1.2
130.08725	22.5
130.28796	0.3
131.08344	0.4
131.09094	4.5
132.02147	0.6
133.05061	100.0
134.03735	11.0
134.05408	1.3
135.04524	0.3
141.01892	0.7
149.04549	1.5
149.06087	1.5
149.46855	0.3
155.03540	1.1
159.03027	0.6
160.01627	3.1
162.03241	0.4
172.09776	1.1
173.04555	1.3
173.10167	0.3
175.04008	3.6
176.04816	0.4
189.09224	0.4
189.31073	0.4
191.05586	1.9
193.05032	9.8
194.05397	0.5
209.06714	1.7
233.08218	1.0
235.06151	1.0
242.26404	0.4
247.06151	0.3
261.07663	0.4
275.05585	1.4
330.06689	0.4
335.07761	0.5
367.10281	11.5
368.10721	0.8
385.11343	6.3
457.21027	1.0
500.24933	6.0
501.17627	1.3
501.25400	16.1
502.26260	2.4
513.37360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2496
Annotation	Pseudostellarin A
Peak:m/z	Relative Intensity
53.96980	0.3
57.03448	0.3
58.00578	0.3
58.02966	1.1
59.01375	6.2
61.98824	0.5
69.48009	0.9
69.48433	1.1
70.69368	0.2
71.01373	3.3
72.99315	0.4
73.02951	0.4
83.01368	0.5
85.02959	1.0
89.02437	2.0
95.01412	0.4
96.96011	1.9
98.19842	0.6
99.00903	0.6
101.02444	2.0
113.02455	0.7
119.03496	0.8
128.10796	2.8
128.72835	0.3
130.08731	100.0
131.09103	1.8
154.08719	0.5
162.82147	0.3
172.09775	3.6
193.66489	0.2
258.73575	0.3
276.06808	0.3
320.18610	0.7
381.67343	0.3
500.24994	80.4
501.18469	0.4
501.25320	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	501.026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	86.4
69.34245	7.1
72.99285	1.1
90.97137	1.0
94.98943	0.7
98.19894	1.7
134.97021	1.7
156.99973	0.9
157.03506	2.7
159.01472	1.5
174.97701	1.2
174.99226	21.0
192.89270	0.8
192.96037	1.4
201.02521	34.7
202.02684	2.2
203.02202	1.0
217.00273	100.0
218.00581	2.3
225.05370	0.8
234.96942	1.0
250.95265	1.2
276.98239	1.2
292.96182	2.5
293.96640	1.0
334.97305	1.4
343.03708	2.6
359.01416	70.9
360.01569	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	500.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96636	0.2
58.00586	0.3
58.02975	0.9
59.01089	0.4
59.01376	6.1
61.98820	0.6
63.62459	0.2
64.52779	0.2
66.41469	0.2
69.03480	0.3
71.01378	5.4
71.63133	0.2
72.99296	0.5
73.02944	0.3
75.00896	0.2
79.95732	0.3
83.01392	0.3
85.02946	1.1
87.00871	1.8
87.04539	0.4
89.02436	2.7
95.01388	0.3
96.96003	2.5
97.02940	0.2
99.00864	0.3
101.02431	1.8
107.07896	0.2
107.56741	0.2
111.00858	0.2
113.02443	1.0
116.92877	0.2
119.03492	0.7
121.02974	0.2
124.84222	0.2
128.10812	2.7
129.01987	0.2
130.08730	100.0
131.09081	1.7
133.05058	13.3
134.03725	1.4
145.02956	0.2
149.06104	0.3
150.45280	0.2
154.08757	0.2
156.06647	0.3
160.01691	0.2
163.11317	0.5
172.09779	5.4
175.04051	0.5
189.09206	1.0
191.05499	0.3
193.05045	1.3
209.06647	0.4
320.18710	0.3
322.20203	0.4
367.10361	1.3
382.35922	0.2
385.11459	0.7
457.20950	0.2
499.65546	0.3
500.24991	78.1
501.19699	0.4
501.25458	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	499.3427
Annotation	Pisonolic acid
Peak:m/z	Relative Intensity
59.01374	3.3
70.19834	0.5
71.01371	0.2
79.95719	0.2
93.24480	0.1
96.95994	0.2
99.95143	0.1
107.02335	0.1
156.31940	0.1
165.25218	0.1
222.49706	0.1
223.69574	0.1
245.61707	0.1
277.21710	1.3
291.23187	0.3
357.66510	0.1
362.81152	0.2
365.27118	0.2
391.26035	0.9
391.30667	0.1
393.27783	2.1
395.29434	1.5
407.29849	0.1
419.29459	0.5
421.31012	2.4
422.31573	0.3
423.32816	0.8
425.30734	0.2
451.31894	0.6
467.31363	0.3
498.70068	0.1
499.34232	100.0
500.34592	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	499.3059
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
51.53233	0.3
56.75085	0.2
59.01373	1.3
61.98804	0.3
62.91886	0.2
70.09200	1.0
79.70406	0.2
82.63603	0.3
86.87000	0.2
140.20193	0.2
149.09651	0.3
166.67287	0.3
174.12340	0.2
226.43329	0.3
260.23056	0.2
271.22672	1.3
277.21637	0.5
375.26868	0.3
391.30026	1.0
393.27386	0.3
394.64767	0.3
419.29156	0.4
437.30576	31.8
438.30865	2.7
455.31796	0.4
498.71307	0.3
499.30609	100.0
500.30978	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	499.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68694	0.7
59.01376	100.0
59.96833	0.6
60.82748	0.9
70.26241	2.3
71.01386	3.1
72.48539	0.7
75.00874	1.2
86.99613	0.6
91.04010	2.2
94.85246	0.6
98.20547	0.9
104.71876	0.6
113.02470	1.6
119.02589	0.5
130.77356	0.6
156.95839	0.6
174.53380	0.6
178.97006	0.5
180.45517	0.6
181.38344	0.6
192.39287	0.6
209.05946	0.7
277.21695	11.9
319.22803	2.1
347.25732	0.8
352.92557	0.6
365.26898	12.4
366.27563	1.0
499.34036	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	499.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.4
59.01376	53.9
59.94677	1.2
60.05259	1.1
69.03443	1.5
69.52296	8.1
71.01380	20.2
72.99290	2.8
73.02935	9.3
75.00870	5.4
82.18436	1.2
82.93954	1.3
83.01384	2.8
85.02943	14.1
87.00865	2.1
89.02442	2.8
90.13896	1.2
91.78652	1.1
95.01353	2.0
96.96012	2.0
99.00856	3.4
99.04482	1.7
99.22410	1.2
101.02439	11.2
113.02443	7.4
117.02003	1.4
129.01862	1.7
161.04498	2.1
235.17024	15.8
251.16489	5.9
395.20691	6.2
413.21741	15.8
414.22110	1.3
455.22800	100.0
456.23163	7.6
499.22141	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	499.3062
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
53.80761	0.4
54.03856	0.4
59.01344	0.9
60.34187	0.4
69.73110	0.6
69.73521	1.8
71.01374	0.7
72.99317	0.4
74.09423	0.4
75.00831	0.5
96.95988	0.7
98.19918	0.6
111.51312	0.4
139.06425	0.4
219.37318	0.4
233.00845	0.4
331.24771	0.7
379.26279	1.3
393.28046	1.0
395.29584	1.0
407.29630	0.5
409.31088	36.7
410.31363	3.3
411.32477	1.3
422.91595	0.5
453.30042	12.0
454.30417	1.6
455.31610	6.4
456.31799	0.8
499.30566	100.0
500.30887	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	499.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03529	0.3
56.06565	0.3
59.01371	1.3
61.98811	0.4
62.03371	0.3
69.93861	0.5
69.94258	1.0
71.01383	1.5
76.23336	0.3
78.95874	0.6
79.95734	15.1
80.96509	1.1
83.01376	0.5
85.02950	1.1
87.00900	0.4
87.08143	0.3
89.02425	0.4
94.06616	1.0
95.94594	0.4
95.95226	11.2
96.96004	100.0
101.02452	0.8
110.97564	2.2
113.02374	0.6
122.97579	1.2
123.04507	0.8
138.05620	0.6
138.97060	1.8
141.95778	0.9
150.97057	1.7
152.98604	1.1
153.05542	2.7
153.46834	0.3
163.04001	0.4
164.36143	0.3
164.98573	0.7
167.00258	0.4
167.03473	0.3
177.04018	0.5
180.98112	1.6
182.04527	1.0
182.99640	1.4
191.03459	1.4
197.01274	0.5
199.04335	0.3
209.04573	0.7
225.00702	4.5
241.00230	6.4
242.00755	0.3
256.99710	1.0
285.02814	1.6
329.53320	0.3
357.11832	0.4
389.10880	0.7
436.23041	0.3
455.08267	0.5
469.06320	2.0
499.11133	79.9
500.11490	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	497.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.44085	0.3
57.03432	0.9
59.01372	2.8
61.98813	0.6
71.01383	3.4
71.63061	0.4
71.63447	0.3
72.99297	1.0
73.02943	0.6
75.00858	0.4
79.95261	0.5
79.95726	7.7
80.96508	9.4
83.01374	1.7
85.02922	2.0
87.00864	3.8
89.02435	1.2
94.98078	1.4
96.96001	46.2
98.95590	1.1
99.00867	3.6
100.01216	0.3
101.02444	1.5
103.00365	0.5
111.00868	9.9
113.02409	1.4
115.00366	0.6
119.03520	0.3
120.96005	1.4
127.00333	1.4
129.01933	6.1
136.95503	0.5
137.02467	0.3
138.97061	3.6
147.03003	0.3
149.04556	0.3
149.97366	0.3
150.97104	0.3
154.96515	1.3
159.02971	2.2
161.04428	0.4
166.96590	0.8
167.00180	0.5
176.98619	0.3
177.04048	0.8
180.98085	0.3
182.96120	0.4
190.96672	0.5
191.05621	0.3
192.98112	0.9
201.96300	0.3
210.99152	2.0
229.02016	0.2
238.98647	15.4
239.98970	0.5
241.00217	8.4
256.99701	42.2
258.00040	0.7
324.71997	0.3
335.09650	0.9
451.32849	1.2
497.20703	100.0
498.14380	0.5
498.21075	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	497.3266
Annotation	CHEBI:69006
Peak:m/z	Relative Intensity
59.01390	0.2
61.98817	0.2
65.71899	0.2
69.04023	0.2
70.88039	0.6
78.95901	0.5
83.68092	0.2
87.11679	0.2
137.96410	0.2
152.99588	0.3
175.11368	0.2
202.65630	0.2
203.14581	0.2
351.27017	0.2
375.26920	0.3
377.28329	0.4
389.28876	0.2
391.26181	3.3
391.29755	0.3
393.27890	1.9
403.30347	0.2
405.27963	0.2
419.29437	2.3
420.29718	0.2
421.31140	2.0
423.29218	0.2
449.30484	0.2
451.32407	1.0
497.32672	100.0
498.33017	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	499.074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09529	0.2
59.01348	0.3
71.01401	0.3
71.62818	0.2
78.95910	1.2
79.95733	2.9
88.98804	0.3
96.48508	0.2
96.96002	100.0
97.95941	0.3
98.95539	0.2
101.02420	0.2
112.90393	0.2
113.02377	0.2
114.93403	0.4
116.91463	0.2
123.04518	7.5
135.04504	0.2
147.94373	0.2
153.05559	14.0
154.05870	0.2
203.01768	0.2
220.51485	0.2
241.00037	0.2
307.14325	0.2
329.05191	0.2
357.11884	3.4
358.12323	0.2
373.36945	0.2
499.14764	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	497.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
56.17562	0.5
57.03431	1.2
58.07218	0.5
59.01353	1.2
63.54475	0.5
68.99825	0.6
69.64833	1.4
69.65253	1.9
71.01382	1.7
72.47570	0.5
75.11028	0.5
79.95726	6.0
80.96510	8.2
83.01389	1.9
85.02959	2.0
87.00867	3.4
87.35943	0.6
89.02470	0.9
89.35131	0.6
94.98071	0.9
96.96001	42.4
99.00878	1.9
99.25022	0.5
101.02415	1.3
103.00383	0.7
111.00873	8.2
113.02424	0.8
115.00356	1.0
120.95998	1.7
127.00361	1.1
129.01913	4.4
136.68547	0.6
136.95497	0.6
138.97047	3.5
159.02986	2.1
192.98177	0.8
210.99165	1.0
238.98621	14.6
241.00218	7.7
256.99698	46.4
257.99866	1.1
274.44199	0.5
453.61774	0.6
497.20605	100.0
498.21042	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	497.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62075	0.4
59.01373	1.4
69.56695	0.9
69.57117	1.9
71.01385	2.6
71.34002	0.4
73.02925	0.8
73.10821	0.4
79.95740	9.8
80.96503	5.8
81.95336	0.7
83.01376	0.7
85.02950	1.5
87.00878	1.5
95.95240	0.5
96.96004	60.1
97.95938	0.5
98.20570	1.0
98.95586	1.6
101.02431	3.2
102.08656	0.5
107.86215	0.4
113.02412	2.0
122.97536	0.6
137.96252	1.4
138.97060	7.7
150.97046	1.6
166.96561	0.9
180.98055	0.4
241.00220	24.4
242.25357	0.4
256.99661	0.5
320.05933	0.4
497.20557	100.0
498.20850	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	497.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.5
61.98820	0.8
69.88676	2.6
71.01366	3.8
72.99306	1.2
79.95734	11.7
80.96521	5.4
81.95310	1.1
83.01381	1.4
85.02943	1.8
87.00874	2.2
87.04506	0.9
89.02436	0.6
95.95232	0.7
96.96003	73.3
98.95586	5.6
98.96371	1.1
99.00889	0.8
101.02459	3.4
111.00838	1.1
113.02435	2.1
118.90569	0.6
122.97580	0.8
129.01971	0.7
133.02873	0.6
137.96300	0.7
138.97086	5.7
150.97029	1.5
159.29619	0.5
161.37508	0.5
166.96617	0.7
179.31987	0.6
192.77480	0.6
237.80357	0.6
241.00217	20.0
242.00497	0.9
256.99744	2.3
258.99167	1.1
322.28000	0.5
328.58942	0.6
404.68362	0.6
450.44620	0.6
490.15460	0.6
497.20459	100.0
498.20822	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	497.1803
Annotation	Sphenalactone C
Peak:m/z	Relative Intensity
59.01379	24.8
61.98825	4.9
69.36655	2.0
71.01373	18.3
71.62312	3.4
73.02951	3.7
79.95728	7.3
80.96515	5.5
85.02943	5.4
89.02441	36.8
96.96007	51.9
98.95560	2.3
99.00867	10.1
101.02423	18.1
108.25996	2.5
129.01915	3.0
131.03499	8.8
138.97092	4.8
149.04547	43.3
149.89610	2.1
150.03166	5.4
151.03967	2.5
161.04559	3.4
165.05547	7.3
177.03951	2.2
191.05666	6.9
209.06706	2.9
218.13403	2.3
221.06615	3.3
238.98766	3.5
241.00259	8.4
251.07755	5.6
256.99680	12.9
259.01172	3.7
281.08844	2.6
283.39963	2.3
293.08960	3.5
311.09833	7.4
315.04114	2.3
437.20154	7.1
497.17880	100.0
498.17621	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	497.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75346	0.4
55.01864	0.4
57.03442	1.3
59.01372	1.4
61.54238	0.4
61.61891	0.4
64.39484	0.4
68.77213	0.4
69.53531	2.8
71.01374	2.7
72.99311	0.7
73.02905	0.5
77.38625	0.4
79.95735	8.9
80.96511	11.5
81.95302	0.4
82.96086	0.5
83.01376	1.7
83.05824	0.4
85.02932	2.4
87.00864	4.5
87.04505	0.5
94.98079	1.5
96.96004	53.6
98.66402	0.4
98.95585	1.8
98.96345	0.5
99.00311	0.4
99.00867	2.3
101.02431	1.4
103.00351	0.6
111.00866	11.7
113.02428	0.9
120.96021	1.8
127.00388	2.2
129.01939	6.0
138.97072	5.3
150.97029	0.6
153.35535	0.4
154.96536	1.4
159.02980	2.7
166.96574	1.1
177.03964	0.8
190.96596	0.6
192.98073	0.8
210.99242	2.1
220.48325	0.5
232.27234	0.4
238.98654	18.4
239.98988	0.5
241.00252	8.1
247.58594	0.4
256.99704	47.8
258.00012	1.7
258.99432	0.9
399.75150	0.4
497.20544	100.0
498.20901	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	497.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18088	0.3
54.76608	0.3
55.01876	0.4
57.03435	0.5
59.01376	4.7
60.01692	0.3
61.98823	0.8
69.03454	0.5
70.53073	0.7
70.53381	0.4
70.78608	0.3
71.01382	3.3
72.99297	1.1
73.02953	0.6
74.84631	0.3
76.95691	0.3
79.95734	7.4
80.96509	4.2
83.01378	1.0
84.95127	0.4
85.02948	3.2
87.00862	1.3
87.04514	0.3
88.98810	0.4
89.02439	1.4
93.03436	0.9
94.98082	0.4
95.95240	0.7
96.96004	58.3
97.02937	0.8
99.00867	1.2
101.02429	3.1
110.00296	0.3
113.02450	1.5
119.03492	0.6
122.97535	0.5
129.01904	2.0
130.34938	0.3
134.03673	0.4
135.04506	1.4
137.02437	1.6
137.96266	0.6
138.97061	3.3
143.03438	0.4
150.96980	0.7
157.70139	0.3
165.05470	0.3
166.96564	0.5
180.98146	0.6
191.05576	1.3
209.06662	1.2
225.11322	1.6
237.11203	0.5
241.00209	11.4
242.00479	0.4
256.99393	0.3
283.28207	0.3
291.13651	0.4
295.21542	0.3
359.03351	0.3
385.59952	0.6
417.17514	3.3
437.16684	0.4
461.16669	2.2
481.03296	0.3
497.17090	100.0
498.17416	8.0
518.84210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03438	5.4
59.01375	49.9
59.46704	0.9
64.32578	0.8
67.01822	1.1
68.99791	3.4
69.03444	3.9
69.29494	4.8
69.29909	3.7
71.01379	7.1
72.99305	3.6
73.02950	1.8
79.95734	3.2
81.03454	1.1
83.01389	4.3
85.02946	23.9
86.41188	0.9
87.00858	3.8
87.04505	3.1
96.96007	43.8
97.02949	9.5
97.06597	1.1
99.00862	6.9
101.02456	1.0
102.02422	0.9
111.00865	3.5
113.02437	2.2
115.03995	6.5
129.01932	22.8
135.08142	1.5
140.17659	1.0
141.01945	5.1
147.08099	2.5
159.02913	2.5
160.98186	0.9
165.09241	1.7
177.23793	1.0
191.05591	16.1
200.83786	1.0
209.06679	6.6
225.11288	38.7
226.11583	0.9
248.56497	1.0
252.87007	1.0
256.99570	1.6
293.13916	1.2
366.10693	0.9
403.10614	1.8
417.17612	78.9
418.17926	5.7
497.13284	100.0
498.13589	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	496.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02949	0.6
61.98848	0.8
78.95909	1.6
80.91674	6.4
91.05543	0.6
93.03407	0.7
95.05019	2.3
96.95995	0.8
107.05042	0.7
108.02167	0.9
114.09312	0.6
122.03720	3.7
123.04519	35.0
124.27972	0.6
127.87720	0.5
134.03738	1.3
135.04498	1.9
152.07152	0.7
152.99556	2.5
154.02695	0.8
178.05064	0.8
183.71722	0.6
185.90331	0.6
217.23653	0.7
229.43411	0.7
235.32278	0.5
268.23743	0.5
269.24829	6.4
414.30090	100.0
415.30441	9.3
435.73294	0.7
441.54431	0.7
460.34204	0.9
467.54468	0.6
496.29941	0.8
497.28775	2.5
498.95953	0.6
511.47638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27427	0.3
57.36573	0.2
57.49106	0.3
59.01383	1.3
63.02400	1.3
65.00309	2.3
69.44376	2.1
71.01369	0.7
72.99284	1.4
75.00866	2.5
76.38673	0.4
79.95731	1.5
80.96499	0.6
81.95314	0.3
83.01376	2.5
85.02930	0.6
94.26293	0.3
96.96004	9.3
98.20651	0.6
98.95564	0.9
99.20710	0.2
100.56150	0.3
101.02454	0.5
101.73293	0.3
107.01373	3.5
108.02142	0.3
113.02382	0.5
117.34299	0.3
125.02416	0.3
136.01611	0.3
138.97057	0.6
141.07101	0.5
145.06586	2.3
151.00356	4.8
152.99527	0.3
164.01157	0.9
169.06548	1.5
171.04518	2.6
185.06046	1.0
187.07652	1.6
211.07648	1.9
213.05525	5.6
241.00217	9.5
242.00597	0.5
255.06592	100.0
256.06921	5.4
256.99719	0.3
337.18365	2.7
342.11459	0.4
366.18790	0.7
395.18869	3.4
417.18231	1.8
417.50854	0.3
497.07721	1.0
497.20566	6.4
497.32678	0.7
498.21201	0.4
498.77185	0.3
499.34302	1.2
505.13879	0.3
523.94165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
58.95467	0.4
59.01382	2.4
60.06844	0.4
60.36985	0.4
70.37028	1.0
71.01382	3.5
71.66515	0.4
72.99315	0.6
73.02966	0.5
75.00868	0.4
78.95909	2.0
79.95734	15.1
80.04930	0.5
80.96510	9.1
81.95310	6.9
81.96114	0.6
82.79919	0.4
83.01387	1.5
84.52673	0.3
85.02946	2.6
87.00871	4.3
89.02464	0.5
94.98065	0.9
95.95268	0.6
96.96003	48.6
98.95594	3.8
98.96269	0.6
99.00876	2.1
101.02438	2.7
103.00379	0.6
111.00875	8.9
113.02439	1.5
115.00355	0.7
120.96000	1.5
127.00368	1.4
129.01926	4.6
138.97067	4.5
150.97072	0.7
152.99593	0.7
154.96556	1.0
159.02972	1.9
166.96510	0.7
167.00140	0.6
171.10213	0.4
173.85056	0.4
177.03960	1.0
200.61925	0.4
210.99133	2.1
237.18504	1.9
238.23282	0.4
238.98636	12.8
240.98033	0.4
241.00273	7.5
242.00587	0.6
242.99954	0.8
253.18129	1.2
256.99695	28.2
258.00061	0.5
258.99356	0.7
391.79898	0.4
415.23459	2.7
494.67667	1.2
495.18839	100.0
496.19214	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	495.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.01367	1.9
60.45765	0.6
70.63032	1.5
71.01379	3.1
75.00884	1.0
77.93917	0.4
79.74077	0.5
79.95731	23.4
80.96505	13.7
83.01378	2.0
85.02946	2.2
87.00859	5.3
89.02414	0.6
90.94998	0.5
94.98077	1.7
95.95235	3.1
96.96001	56.4
99.00874	2.5
101.02425	1.9
111.00882	12.9
113.02435	1.5
115.00396	1.0
120.96020	2.1
127.00346	1.8
129.01921	5.8
138.97046	5.3
150.97093	0.8
154.96570	1.1
159.02953	1.7
166.96561	0.8
167.00154	0.6
177.04137	0.7
180.98016	0.5
192.98048	0.8
210.99142	2.8
238.98616	14.2
241.00180	6.6
256.99692	36.4
257.99963	1.1
284.80081	0.5
395.13632	0.6
477.01077	0.6
495.18994	100.0
496.19339	9.0
509.71362	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00455	0.4
57.03440	1.6
59.01369	1.8
67.49667	0.3
69.10535	0.4
71.01383	3.2
71.35607	0.4
72.99314	0.6
75.00848	0.6
79.95271	0.7
79.95732	11.4
80.96506	11.0
83.01373	1.6
85.02945	2.7
87.00859	4.8
89.02483	0.6
94.98073	1.3
95.95233	1.3
96.96002	57.6
99.00892	2.7
101.02434	1.5
103.00348	0.8
111.00873	11.9
113.02421	1.2
115.00338	1.2
120.96021	1.8
121.28677	0.4
127.00342	1.7
129.01929	6.7
136.95523	0.6
137.96188	0.4
138.97047	4.9
150.97043	1.0
154.96512	1.0
159.03026	2.0
166.90562	0.4
166.96494	1.4
167.00166	0.4
177.04034	0.9
180.98141	0.7
182.96034	0.5
190.96486	0.7
192.98083	0.8
210.99149	2.6
238.98647	16.7
239.98787	0.4
240.97945	0.7
241.00220	9.3
256.99701	41.3
258.00085	1.0
357.24554	0.4
428.39444	0.4
495.19003	100.0
496.12555	0.7
496.19345	10.3
517.98853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21363	0.7
57.03455	1.0
58.12106	0.6
58.53049	0.6
59.01384	1.3
70.14979	2.5
71.01369	2.0
72.99297	0.9
75.00873	0.7
79.95737	13.7
80.96512	11.5
83.01371	2.0
84.83301	0.6
85.02952	1.4
85.40303	0.6
87.00865	3.8
92.29526	0.8
94.98074	1.6
95.95194	1.3
96.96002	53.5
98.19956	1.1
99.00865	2.8
101.02433	0.8
111.00868	10.2
113.02442	0.8
115.00359	0.8
120.95983	1.5
127.00359	1.8
129.01918	6.3
136.95485	0.8
138.97086	4.7
148.35889	0.6
154.96548	0.8
159.02950	2.8
166.96581	1.6
180.98100	0.8
192.98093	0.9
208.87390	0.6
210.99138	2.4
238.98643	16.3
241.00182	9.2
256.99704	38.5
370.62616	0.6
390.52026	0.9
495.18994	100.0
496.19382	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	493.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30532	0.5
51.70437	0.6
53.16571	0.6
53.91780	0.6
59.01363	1.2
59.14739	0.6
61.98824	100.0
70.71061	0.6
70.82854	1.5
77.95694	0.6
78.95918	0.9
107.54404	0.6
109.99107	0.6
144.67802	0.6
151.88754	0.7
212.59804	0.7
281.38727	0.6
472.59848	0.6
493.35992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.8
60.30420	3.0
60.99292	7.1
61.98824	2.9
70.05403	11.7
71.01371	4.0
74.99094	3.3
75.09512	2.4
78.95906	17.3
85.59745	2.3
88.98806	53.4
96.96000	25.6
96.96989	4.9
99.00803	2.4
101.96873	2.2
108.02177	59.3
109.02994	17.1
110.98529	4.7
113.02433	3.4
128.03589	4.1
134.04747	4.9
136.99086	3.1
139.97066	2.5
152.01154	49.6
153.01935	20.6
169.82921	2.4
315.07178	100.0
495.11108	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	493.2802
Annotation	Herkesterone
Peak:m/z	Relative Intensity
59.01387	1.8
61.98827	1.3
69.08784	0.3
70.48172	0.5
70.48499	0.7
78.95908	1.2
85.66943	0.3
96.96027	0.7
117.03452	1.5
119.86558	0.3
123.04532	0.4
127.11272	1.2
132.02155	1.2
133.02943	21.1
134.03806	1.9
135.04532	5.4
137.02469	0.6
142.68340	0.3
152.41203	0.3
152.99562	0.5
155.10773	0.4
157.12360	0.4
161.02428	100.0
162.02765	2.8
171.10164	0.4
179.03465	2.2
190.03072	0.4
231.95918	0.3
313.23819	1.4
329.23239	1.0
331.24869	13.7
332.25296	0.9
407.27853	0.5
475.27100	1.2
493.27985	60.4
494.28268	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	493.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90796	0.9
55.32768	0.8
58.46373	1.0
59.01371	2.3
61.98826	100.0
71.33279	1.7
78.91879	3.1
78.95903	6.5
96.95993	4.0
98.97371	1.0
99.23348	0.9
113.06772	0.9
137.84789	0.9
146.93350	0.8
152.99573	9.9
170.67419	1.0
216.06213	0.8
279.23279	9.2
327.17654	1.0
393.74509	1.1
433.23572	2.9
475.24594	3.3
493.19525	1.9
493.30331	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30846	29.0
59.01372	100.0
61.98817	89.3
71.62339	44.3
96.95975	31.9
104.81393	32.0
179.15910	31.5
220.66942	36.5
265.21832	39.1
266.22098	92.6
277.35361	32.5
350.37839	35.8
378.86920	31.8
491.34097	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20766	9.1
55.79271	7.8
59.01360	30.5
61.98824	57.9
69.38976	65.4
78.95905	23.0
98.20620	15.7
120.96825	8.2
152.99586	13.2
181.12389	14.6
213.01791	12.5
275.37958	8.1
277.21689	100.0
278.21851	7.8
280.23581	18.8
473.22943	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1744
Annotation	WZ4002
Peak:m/z	Relative Intensity
55.01875	0.5
55.48217	0.5
57.03431	1.1
59.01369	1.7
61.33000	0.4
62.16866	0.5
69.31488	0.7
69.32054	0.7
69.32339	0.6
69.43706	1.6
69.44178	2.7
69.76984	0.5
71.01377	2.7
72.99333	0.6
73.02959	1.0
75.00861	0.5
76.57284	0.5
79.95732	16.7
80.96058	0.7
80.96510	8.8
83.01390	1.3
85.02942	2.2
87.00863	3.5
89.02422	0.5
94.98082	1.8
95.95232	2.2
96.96004	49.7
98.19839	0.9
99.00877	1.8
101.02438	2.0
109.83398	0.5
111.00868	8.2
113.02425	1.2
120.96001	1.3
124.26486	0.4
127.00350	1.5
129.01926	5.0
131.36409	0.5
136.95419	0.7
138.97063	4.4
150.97083	0.8
151.12119	0.5
154.96463	0.9
159.02974	2.1
166.96526	1.2
177.04024	1.0
190.96571	0.7
192.98012	0.8
210.99187	1.9
238.98634	13.5
241.00208	9.1
251.16403	0.8
256.99701	31.2
257.99850	0.7
413.21820	2.0
493.17441	100.0
494.17804	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	491.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.34009	0.4
59.01375	100.0
59.46221	0.3
60.01714	1.2
61.01795	0.4
61.98827	2.0
69.03455	0.4
71.01377	8.7
71.63116	0.4
72.97531	1.1
72.99318	0.3
73.02940	3.5
79.95731	0.7
83.01392	1.3
85.02938	3.6
87.00867	0.7
87.88670	0.4
89.02423	1.8
95.01413	0.8
96.96003	4.7
97.02971	0.5
99.00899	0.9
99.04489	0.7
101.02441	5.9
113.02431	3.8
119.03489	0.8
120.99638	1.3
125.02383	0.4
129.01945	0.6
131.03442	0.4
139.79007	0.4
143.03510	0.8
144.70445	0.4
147.11855	0.6
159.02991	0.5
161.04535	3.1
176.30659	0.4
179.05634	0.4
191.05562	0.4
203.05710	0.7
217.05095	0.4
227.16481	0.4
244.71448	0.4
284.03406	0.7
299.15134	0.4
319.48367	0.4
331.03552	0.4
371.20685	7.8
372.21310	0.5
389.21762	15.3
390.22281	0.7
431.22745	12.6
432.23138	1.1
447.09650	0.6
463.74548	0.4
473.07202	0.5
491.08066	2.3
491.15817	0.6
491.23544	3.9
491.30856	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2648
Annotation	Mucronine B
Peak:m/z	Relative Intensity
59.01376	2.8
61.98811	0.6
71.01363	0.5
71.41496	0.8
74.41097	0.4
78.95901	1.5
96.96010	1.1
104.08797	0.4
117.03486	1.1
127.11241	1.0
132.02103	0.5
133.02946	22.0
134.03700	1.5
135.04512	5.9
137.02470	1.0
139.11284	0.4
145.43924	0.4
152.99565	2.0
153.01985	0.7
161.02426	100.0
162.02782	2.9
163.25159	0.4
168.28473	0.4
169.58670	0.4
171.10226	2.9
179.03535	2.0
185.08757	0.4
191.42120	0.5
269.06927	0.8
311.22214	1.0
329.23276	14.3
330.23566	1.0
409.18900	0.5
473.25171	1.1
491.26440	51.9
492.26859	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	491.2658
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.01881	0.2
59.01361	0.4
61.98825	2.8
66.03474	1.0
70.03708	0.9
71.02499	3.2
73.04035	0.3
73.40282	0.2
73.45660	0.2
75.99915	0.2
80.99960	0.2
82.01720	0.6
83.02485	0.5
91.05550	0.4
96.95992	0.3
97.00433	0.5
98.01217	0.7
98.06105	0.2
99.02015	0.7
109.07711	0.2
110.01235	0.3
110.03603	1.7
111.02004	0.8
113.07182	0.5
115.08768	11.0
116.05074	1.5
118.06628	3.4
125.07198	3.5
126.03081	0.3
126.05603	1.6
131.05063	0.4
137.07169	0.2
140.52318	0.2
141.06699	4.0
143.08252	0.4
146.06105	9.2
152.08284	0.8
153.06691	1.0
153.09064	0.6
154.07469	0.3
155.08209	0.2
158.06090	0.3
163.08727	1.1
167.11859	0.4
168.07761	0.8
169.13437	0.7
170.06134	0.3
170.09358	3.1
173.07193	0.9
174.05582	0.9
179.11888	3.8
184.11292	0.3
185.04836	0.2
194.12950	1.1
196.14531	0.7
197.12946	0.9
200.10788	1.8
202.07458	0.3
202.12346	1.0
214.15604	4.9
216.07744	0.3
217.13377	1.2
219.14827	0.3
222.12524	0.4
224.13910	0.3
227.11853	2.6
228.10262	2.8
240.07713	1.4
240.13554	0.5
244.14571	0.7
245.12964	3.2
248.10791	0.9
251.15129	0.6
262.15555	2.8
269.16226	0.9
276.10291	0.7
283.13263	0.3
283.18011	0.7
295.22763	0.7
299.17767	1.1
310.15573	0.3
316.20358	0.4
326.18707	6.4
327.18954	0.4
331.17957	0.3
344.19696	2.3
400.21118	0.3
402.46994	0.3
473.25250	0.6
491.26590	100.0
492.26880	10.5
499.65286	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01710	0.4
61.98840	0.3
68.99844	0.3
71.01370	1.5
72.99294	1.5
73.02940	0.5
75.00855	1.7
79.95748	0.5
82.69632	0.2
83.01367	0.3
85.02960	0.8
89.02454	0.6
95.01342	0.3
96.96014	2.1
96.99246	0.2
97.02922	0.3
98.19806	0.4
99.00904	0.4
101.02438	1.0
109.02979	0.6
111.39163	0.3
113.02445	0.7
134.03773	1.0
153.01952	0.5
160.01730	0.4
161.04597	0.4
175.03995	0.7
193.04996	0.5
242.02275	0.3
270.01724	0.3
285.04163	0.5
313.03445	2.1
314.04315	0.6
329.06683	0.9
330.17892	0.4
410.18161	0.4
411.20377	1.2
411.70398	0.4
431.22943	0.9
447.21826	1.0
469.20947	0.8
491.12045	1.4
491.16953	1.1
491.25711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
60.99305	15.5
61.98821	5.3
71.01367	1.0
78.19350	0.6
83.01388	1.2
83.84557	0.6
85.02936	0.8
88.98801	100.0
89.02468	1.3
91.79383	0.6
96.96021	2.7
101.02462	1.0
102.85532	0.6
113.02444	0.8
123.04524	13.1
129.01881	0.6
133.02946	0.9
135.04524	1.3
137.02451	0.6
137.06004	0.6
149.06221	0.7
153.05562	30.6
167.03499	2.0
209.04512	2.5
209.06464	1.0
219.06352	0.7
239.05711	0.6
241.00285	3.0
243.75536	0.6
251.05608	6.6
281.06631	4.1
311.07849	1.3
357.11850	6.7
371.09833	1.0
431.15710	1.5
491.13754	1.1
498.77597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01177	0.9
59.01513	1.7
59.52319	0.2
65.00083	1.3
65.00473	2.7
71.01163	0.3
71.01498	0.5
71.22975	0.6
73.03062	0.3
79.30154	0.2
79.95469	0.3
79.95872	0.6
85.03076	0.3
87.00974	0.3
89.19418	0.3
91.13876	0.2
94.19444	0.2
95.01526	0.4
95.95335	0.5
96.95503	0.5
96.96187	3.0
97.56441	0.2
101.02594	0.5
109.03133	0.3
109.99463	0.9
110.00288	6.2
111.01075	1.8
113.02583	0.5
118.51865	0.3
121.03144	0.3
123.01038	0.4
124.01868	0.4
124.99038	0.3
133.03113	0.5
134.03873	0.3
136.99002	4.6
137.99623	1.3
139.00566	3.8
140.01329	0.8
141.99269	0.3
148.01833	0.3
149.02545	0.5
151.00555	0.3
152.01314	0.6
155.03679	0.6
163.04259	0.3
164.98322	0.5
165.99062	7.5
166.99948	0.5
171.04590	0.3
175.04108	0.4
178.99939	0.4
183.04695	0.7
185.02592	0.7
187.04140	0.4
197.06165	0.4
198.03195	1.5
199.03986	2.5
200.01276	0.4
200.04878	0.4
201.02086	0.4
202.02820	0.6
203.03680	0.5
213.02065	0.3
213.05519	1.5
215.03500	2.1
216.04219	0.3
217.05161	1.1
218.05942	0.5
226.02654	1.5
227.03491	5.4
228.00647	0.3
228.04198	0.6
229.01555	0.8
230.05775	1.7
241.05183	1.1
242.02190	0.7
242.03471	0.5
242.05765	3.2
243.02959	1.8
244.03741	2.0
245.04443	0.4
253.01524	1.0
253.89987	0.3
254.02385	0.4
255.02837	0.5
256.99994	0.3
257.04529	0.8
258.05222	0.4
269.04614	0.8
270.01782	1.0
271.02496	3.1
281.00851	1.9
282.01578	0.3
284.03479	0.3
285.04022	6.2
286.04581	1.4
297.03955	0.4
299.01981	2.7
300.02670	1.1
313.03516	4.6
314.04288	100.0
315.04800	8.3
316.05743	0.6
329.06619	78.7
330.06964	4.4
476.09024	0.8
491.11411	19.9
491.27191	0.6
492.11755	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46666	0.6
59.01374	100.0
61.98835	1.8
63.63121	0.6
68.95758	0.5
71.62891	0.7
75.26382	0.6
91.04014	1.1
96.96005	0.8
104.97564	0.5
116.19595	0.5
158.65128	0.6
254.91597	0.6
297.86407	0.8
315.99762	0.6
355.32260	2.5
382.02130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04436	0.6
57.50586	0.7
59.01381	3.2
68.57736	0.6
71.01377	1.5
75.00859	1.5
79.95734	3.0
85.02948	1.7
88.02774	0.7
95.95220	1.6
96.95992	5.7
98.19717	1.2
101.02441	0.8
108.02174	0.8
111.73368	0.6
113.02447	1.4
119.05036	1.1
121.02961	2.8
134.03697	1.6
135.04477	0.9
145.02942	3.2
146.03699	1.7
147.04495	1.9
148.05283	2.9
149.06079	2.5
151.97743	0.6
154.44313	0.6
159.04506	1.4
161.06067	4.1
162.06859	4.9
163.07573	1.1
175.03973	1.6
176.08391	1.8
179.03616	0.7
184.33057	0.7
187.03918	0.8
190.04967	1.5
190.06380	1.9
191.07143	1.3
192.06662	3.1
195.08096	0.7
197.05891	0.7
204.06702	1.9
207.08113	1.4
211.07610	1.2
212.82336	0.7
221.05997	0.8
222.06982	0.8
223.07666	1.9
235.07695	1.4
237.05504	1.2
239.07085	1.9
240.04150	1.0
241.00175	1.4
247.07698	1.0
248.04663	0.8
249.05553	1.6
250.06354	1.4
251.03444	1.0
251.07153	5.4
253.08716	1.4
256.99765	1.1
261.05426	0.8
263.07117	2.5
264.07880	2.5
265.05051	0.8
265.08505	1.5
266.05719	1.0
266.08414	0.7
267.06641	8.6
268.07291	2.8
275.07114	1.8
276.07813	2.1
277.08517	1.8
279.06494	6.0
280.07352	0.8
281.08121	3.3
282.08951	6.0
283.09583	3.8
291.06384	0.9
292.07220	0.9
292.10864	1.4
293.04691	1.2
293.08063	4.0
294.08459	3.2
295.09531	1.2
296.10568	6.5
297.07669	5.2
297.11258	13.5
297.45123	0.7
306.07803	1.2
307.08777	0.9
308.10486	4.1
309.11246	2.3
310.07404	0.7
311.11685	1.0
312.09995	2.8
318.07602	0.9
322.07394	1.6
323.07974	2.9
324.08789	1.1
326.10431	1.7
327.12228	6.1
329.23273	1.2
335.07938	1.1
336.08701	1.8
337.09726	1.2
338.10245	6.8
339.10855	1.1
350.10342	1.1
354.13458	2.8
358.52695	0.7
370.14529	1.1
414.13458	7.1
418.44171	0.7
424.11563	0.7
425.12531	0.9
426.13269	0.9
429.16141	0.9
430.12863	13.8
431.13373	1.4
440.14798	3.2
441.15558	1.0
442.12881	47.8
443.13544	4.9
445.15384	6.7
446.15802	1.4
457.10406	0.7
457.15225	30.8
458.15662	2.5
460.17624	49.2
461.18204	4.7
472.17584	100.0
473.17981	11.0
489.34607	1.2
490.18704	4.7
490.34744	2.2
491.19733	7.1
491.28506	3.4
503.07999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04379	0.3
57.03429	0.5
59.01375	100.0
60.01704	0.5
61.98846	0.3
69.69922	1.4
71.01376	1.4
73.02959	1.0
80.63112	0.3
83.01365	0.4
85.02953	0.6
89.02449	1.0
94.98090	0.4
96.96011	1.6
98.20647	0.4
98.95672	0.3
101.02466	1.1
111.00872	0.4
113.02478	0.8
114.30682	0.3
116.07187	1.3
119.03499	0.6
161.04607	0.5
242.28929	0.3
266.67831	0.3
307.89984	0.3
312.33453	0.3
323.52423	0.3
340.69284	0.4
369.19269	0.7
387.20026	1.5
429.21191	1.5
489.19028	0.5
489.25769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04379	0.3
57.03429	0.5
59.01375	100.0
60.01704	0.5
61.98846	0.3
69.69922	1.4
71.01376	1.4
73.02959	1.0
80.63112	0.3
83.01365	0.4
85.02953	0.6
89.02449	1.0
94.98090	0.4
96.96011	1.6
98.20647	0.4
98.95672	0.3
101.02466	1.1
111.00872	0.4
113.02478	0.8
114.30682	0.3
116.07187	1.3
119.03499	0.6
161.04607	0.5
242.28929	0.3
266.67831	0.3
307.89984	0.3
312.33453	0.3
323.52423	0.3
340.69284	0.4
369.19269	0.7
387.20026	1.5
429.21191	1.5
489.19028	0.5
489.25769	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
57.03435	1.4
58.00594	1.5
59.01376	36.3
69.79980	1.0
69.80388	3.2
71.01376	19.0
72.99309	3.3
73.02942	49.5
74.03273	0.5
83.01377	1.2
83.05016	0.7
85.02943	4.5
87.00890	1.1
89.02440	15.0
95.01373	1.3
96.96004	4.1
98.95571	0.9
99.04501	14.3
101.02432	9.5
109.38560	0.5
113.02440	6.0
119.03506	4.6
122.02463	3.0
134.03709	1.9
160.01610	0.7
173.04524	0.7
173.13441	0.6
175.04028	1.2
175.28958	0.6
191.14410	2.2
193.05043	2.5
201.49472	0.6
210.12508	0.7
217.12312	2.2
235.13370	18.5
236.13531	0.8
247.17003	2.1
265.18085	9.6
291.16022	0.6
309.17047	58.4
310.17441	3.6
327.18176	1.0
367.10233	2.2
445.20764	5.6
489.23361	100.0
490.23663	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	489.0671
Annotation	Bazzanin B
Peak:m/z	Relative Intensity
50.34985	0.5
50.91476	0.5
59.01375	47.8
61.98819	0.6
68.37376	0.5
69.58492	1.8
69.58895	1.7
71.01367	1.8
73.02947	4.1
73.04337	0.5
85.02940	1.0
89.02437	1.0
96.96017	1.1
97.02838	0.7
98.19903	1.1
98.95703	0.6
98.96371	0.6
101.02414	1.2
113.02464	1.2
148.01602	1.4
172.01634	4.0
182.03734	1.1
196.01636	0.9
198.03180	5.2
210.03163	1.1
214.02734	3.0
224.01202	0.9
225.01787	0.8
226.02661	11.2
227.03304	1.6
230.02107	0.7
232.79706	0.6
237.01790	0.8
238.02637	3.3
240.00729	0.6
241.01581	0.7
251.96529	0.6
252.00597	14.8
253.01398	12.6
254.02165	37.8
255.02588	2.1
264.00647	1.3
280.00156	1.0
281.00861	5.4
282.01660	67.6
283.02109	4.8
286.01111	0.6
307.99609	8.1
326.00610	1.4
335.07880	0.9
369.18936	2.2
387.20224	2.0
429.20764	0.9
445.07687	16.9
446.07983	1.4
471.05615	12.8
471.12051	1.1
472.06018	1.2
488.31021	1.3
489.06705	100.0
489.30371	5.5
490.06927	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	487.3418
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.79155	0.3
59.01381	0.9
61.93311	0.4
64.46740	0.3
71.26220	0.6
74.84441	0.3
76.40159	0.4
86.76272	0.3
88.04032	1.0
97.30012	0.3
102.21025	0.4
111.08157	0.6
130.08730	0.4
143.11884	0.5
148.83624	0.3
161.92336	0.4
223.20634	1.5
252.70235	0.4
337.21521	0.5
338.22101	2.2
365.13290	0.4
397.34729	0.5
399.36307	3.1
407.33557	0.8
425.34180	1.8
443.35269	34.7
444.35577	4.1
449.33865	0.5
469.33096	2.0
487.34250	100.0
488.34558	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	488.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42976	1.6
59.01377	10.3
62.05468	1.5
64.65436	1.4
68.48636	1.4
69.03424	1.4
71.01351	2.8
71.62121	1.5
72.99304	3.2
74.65040	1.5
75.00877	2.1
79.95712	3.6
80.65828	1.5
85.02943	2.6
87.00834	2.0
96.96015	15.6
105.05451	1.7
120.95527	1.5
123.32513	1.7
124.49778	1.4
124.96046	1.6
129.75951	1.6
142.99826	2.6
195.04631	1.5
217.04965	2.5
221.05997	2.7
223.07486	1.9
237.05457	4.5
239.07056	5.2
249.05501	5.9
256.99753	2.3
265.05118	2.6
266.05795	2.4
267.06549	25.7
270.11398	1.7
279.06528	2.1
294.08545	1.9
295.06073	76.4
296.06488	6.7
309.07715	3.7
310.08432	59.7
311.08774	6.1
325.10764	100.0
326.11032	6.0
328.02878	1.9
336.06299	5.0
351.08612	6.1
406.67926	2.7
487.30927	2.9
488.17084	83.0
488.30893	5.5
488.69189	1.9
489.17609	8.3
503.21970	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	488.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74796	0.2
61.98825	100.0
66.77812	0.3
71.62527	0.5
71.62888	0.3
78.95899	3.1
83.83894	0.2
96.96964	0.5
134.72238	0.3
144.26109	0.2
152.99568	5.0
185.33115	0.3
216.35822	0.2
219.29427	0.3
234.13361	0.3
253.21649	1.5
262.90518	0.3
431.21982	1.2
489.18002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
57.52962	0.6
59.01373	100.0
60.01714	1.2
61.98833	1.2
62.32146	0.6
63.49154	0.8
68.94329	0.8
69.03454	1.2
71.01376	24.1
71.01762	1.3
72.99297	1.2
73.02940	30.1
74.02500	0.8
77.10944	0.7
79.95729	1.7
83.01373	9.5
83.05041	1.3
85.02940	3.6
87.00896	2.2
89.02435	8.1
96.96004	15.8
96.96984	0.9
97.02927	0.8
98.95602	2.5
99.00893	1.0
99.04523	1.7
101.02433	37.9
108.53985	0.6
109.02975	0.8
113.02446	10.5
116.07159	1.0
119.03468	4.7
122.97623	0.7
123.08202	0.9
125.02467	1.8
128.03561	2.2
129.01936	0.8
130.08725	3.8
131.03487	3.5
134.03780	1.0
135.16510	0.8
137.02461	1.0
137.09781	1.0
143.03500	3.6
146.32205	0.7
149.04565	3.9
153.09198	1.8
155.03540	1.0
157.18152	0.7
161.04558	10.6
165.09192	14.5
165.10480	1.1
179.05630	0.9
182.02298	1.1
187.11249	6.0
197.04579	0.8
203.05759	1.5
205.12320	7.4
209.06664	0.9
221.06709	2.0
223.13318	6.0
241.00304	1.2
242.00821	0.8
255.63234	0.8
315.63785	0.7
367.17526	1.4
385.18887	2.3
385.42065	0.7
407.23077	1.7
427.19559	6.1
487.18204	10.3
487.29974	4.1
488.18790	1.5
488.24832	3.8
493.41904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26986	0.4
56.56374	0.4
57.03433	2.7
59.01375	100.0
60.01720	0.9
61.98827	9.8
69.03442	0.8
69.70340	2.6
71.01373	5.0
73.02935	3.1
79.95750	0.6
82.95420	1.1
83.01436	0.9
83.02531	0.9
85.02943	2.0
87.00887	0.6
89.02458	1.4
96.96002	10.2
96.96577	0.7
97.02940	1.2
98.20615	0.6
98.95620	1.4
98.96488	0.6
99.00857	0.6
101.02431	3.2
113.02448	1.9
113.06098	1.4
115.04003	0.5
116.07156	2.5
119.03523	1.2
121.02949	0.5
129.01994	0.5
130.08766	0.8
132.06715	0.9
134.03738	0.8
137.09732	1.1
143.03526	0.7
151.07678	0.8
153.09206	4.7
161.04572	1.2
163.11325	0.5
165.09174	3.8
187.11313	1.0
191.07246	0.6
191.68895	0.6
193.05069	1.4
193.12468	0.6
203.05684	1.6
205.12349	3.8
214.51678	0.5
222.12341	0.6
223.13362	31.0
224.13753	1.1
230.08220	2.2
262.10852	3.1
263.10806	0.4
266.52438	0.4
291.14218	0.5
357.15726	0.6
367.17642	1.2
424.16144	2.0
443.20441	0.7
452.21991	1.1
487.16913	5.6
488.25073	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3268
Annotation	CHEBI:65783
Peak:m/z	Relative Intensity
55.83814	0.3
59.01363	0.8
60.99293	2.7
61.98817	0.3
67.23239	0.4
71.05013	0.3
71.57677	0.4
81.03470	0.9
87.83987	0.2
94.94634	0.3
96.96030	0.9
97.02976	0.4
99.04504	1.7
111.00864	0.6
130.02509	0.3
130.77142	0.4
147.46277	0.3
160.89838	0.3
172.88069	0.4
192.83453	0.3
353.28220	0.4
354.75970	0.3
377.28632	0.5
389.28714	0.6
391.30142	0.5
393.32053	0.5
395.29782	0.8
403.30002	0.6
405.31543	1.0
407.29626	1.9
409.30917	1.1
411.32626	2.1
421.31128	2.1
423.32654	5.9
437.30820	0.4
439.32159	2.2
441.33658	3.4
485.32687	100.0
486.33066	10.9
509.91394	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	486.2698
Annotation	Broussonetine X
Peak:m/z	Relative Intensity
55.01872	0.4
57.03444	0.3
57.77751	0.2
58.00592	0.3
59.01375	8.5
69.50836	1.0
71.01376	4.7
72.99305	0.4
73.02937	0.9
83.00954	0.1
83.01357	0.8
85.02943	2.2
87.00826	0.2
87.84547	0.2
88.97485	0.2
89.02435	2.4
95.01376	0.6
96.96004	0.4
99.00854	0.2
101.02434	2.9
113.02437	1.5
117.43800	0.2
119.03491	0.5
128.10820	0.3
130.08727	100.0
131.09053	1.9
134.83066	0.2
184.67621	0.2
208.29094	0.1
241.00340	0.2
244.06927	0.3
306.20627	1.6
324.21777	0.3
468.26215	0.3
486.27026	90.8
487.27350	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	485.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.95600	0.3
62.01196	0.3
71.01369	1.7
79.95728	6.8
80.96515	3.2
82.95412	2.4
83.01360	0.4
85.02948	0.8
87.00883	0.9
95.01374	0.3
96.95999	46.4
98.95593	0.7
101.02402	2.0
113.02449	1.2
122.97524	0.4
137.96278	0.5
138.97041	3.3
148.05249	0.3
149.06055	0.6
150.97040	1.0
166.96582	0.7
180.98145	0.6
202.92474	0.3
210.10158	0.3
238.98662	0.5
241.00206	11.9
248.09251	2.2
249.10043	1.9
256.99713	1.9
259.01273	0.6
264.12372	6.5
427.12646	1.9
485.16916	100.0
486.17230	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	485.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76532	0.8
59.01376	100.0
59.82643	0.8
71.01378	8.8
71.62934	1.1
72.99297	3.1
73.02943	3.1
73.82057	0.8
75.00876	2.8
78.47176	0.7
79.95734	2.3
85.02943	4.5
85.80869	0.7
87.00861	1.3
89.02435	3.9
96.96024	10.2
97.91103	0.8
99.00887	1.0
101.02445	4.0
102.10754	0.8
113.02456	4.7
115.00359	1.3
119.03494	1.3
161.04572	1.5
241.00233	2.2
362.63382	0.9
363.44714	0.8
381.22900	1.7
382.71396	0.9
383.21625	1.0
399.23883	3.7
399.58218	0.9
403.68982	1.0
405.25003	1.1
409.51169	1.0
485.19366	1.7
485.32251	2.8
485.67355	1.1
486.15845	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48456	1.2
57.03442	1.5
59.01375	100.0
60.01704	1.9
61.98816	2.4
67.25172	1.3
69.95990	1.3
71.01376	12.3
71.57700	1.5
72.99284	4.1
73.02943	4.0
75.00858	5.7
83.01388	1.8
85.02950	7.7
87.00817	1.3
89.02454	3.6
92.67035	1.3
95.01377	2.1
96.96031	6.1
101.02454	6.0
113.02424	5.4
115.00368	8.9
133.02890	1.6
161.02448	5.8
161.04530	4.7
218.19951	1.5
224.61421	1.1
241.00299	2.0
399.23691	5.1
425.18173	1.8
485.32230	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49517	2.5
53.34776	2.4
59.01374	100.0
71.01394	10.7
72.15887	2.3
72.99297	27.0
73.02936	5.8
75.00866	24.3
82.69617	2.4
85.02945	11.1
89.02462	2.3
96.95992	8.8
101.02441	9.4
103.00376	6.6
113.02439	8.2
115.00363	18.0
130.99847	14.6
137.49727	2.1
161.04541	2.6
184.80554	2.2
265.07443	5.6
267.09042	7.1
309.10025	4.0
399.23737	5.4
403.18375	6.8
403.68738	36.1
404.18817	14.5
425.18622	10.7
499.33780	2.6
500.34143	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	485.3269
Annotation	3alpha-Hydroxy-13(18)-oleanene-27,28-dioic acid
Peak:m/z	Relative Intensity
55.36566	0.1
56.04999	0.1
57.03417	0.1
59.01345	0.1
61.98833	0.1
71.62036	0.1
73.02953	0.2
89.77226	0.1
113.66257	0.1
186.80064	0.1
297.38904	0.1
312.33997	0.1
374.45822	0.1
393.31659	0.1
395.29614	0.2
423.32254	0.1
437.30334	0.1
439.32092	0.6
441.33713	6.9
442.33966	0.6
449.30338	0.2
467.31799	0.3
485.32666	100.0
486.33020	11.0
486.40329	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.327
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
53.98404	0.4
59.01371	1.2
60.99300	1.1
61.98827	1.6
69.56605	0.4
71.16568	1.0
83.05019	0.7
96.96010	1.3
108.79199	0.4
111.18518	0.4
121.44371	0.4
149.46817	0.4
192.00839	0.5
211.26852	0.5
240.18188	0.4
258.34845	0.5
293.21124	1.7
341.24982	1.3
357.27927	7.0
358.28271	0.7
391.26193	0.6
392.27139	0.9
393.28033	1.0
407.29663	4.2
409.31223	1.2
421.31168	0.9
423.32730	21.8
424.33115	1.9
439.32080	9.7
440.32675	1.2
441.33710	5.5
467.31488	1.1
485.32742	100.0
486.33127	10.8
511.11703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1693
Annotation	Haplodimerine
Peak:m/z	Relative Intensity
57.32281	0.2
59.01377	2.0
61.10234	0.3
67.74603	0.3
69.49135	2.2
71.01376	1.3
72.99292	0.3
73.02938	0.4
74.99092	0.3
79.95740	3.1
80.96520	1.4
82.95409	0.7
83.01356	0.3
85.02946	1.0
87.00854	0.3
89.02450	0.4
96.96005	38.7
98.26995	0.3
98.95611	0.3
101.02445	1.3
113.02452	0.3
122.97574	0.5
131.03587	0.3
136.99129	0.4
138.97061	2.2
146.06067	1.2
147.06433	0.7
149.06036	0.5
160.07648	0.6
161.07925	0.4
166.96523	0.4
170.06099	0.4
171.06342	0.4
180.98087	0.5
188.07179	1.0
189.07446	1.4
190.05095	0.4
198.99193	0.4
241.00237	6.0
248.09264	1.3
249.10062	0.9
256.99768	0.6
264.12369	4.6
285.40872	0.3
329.05457	0.4
427.12775	0.7
441.15637	0.5
467.16229	0.4
485.16937	100.0
486.17239	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	485.1695
Annotation	Callophycoic acid A
Peak:m/z	Relative Intensity
59.01373	4.2
61.98826	0.7
65.29636	0.4
70.30376	0.4
71.01378	3.0
71.25800	0.6
72.99295	0.5
73.02943	0.9
75.00858	0.7
78.18312	0.4
79.95722	2.9
80.96521	1.5
81.02406	0.4
83.01391	0.4
85.02944	1.3
89.02441	2.6
95.01386	0.4
95.95222	0.6
96.96004	59.6
98.95586	0.8
101.02435	2.0
113.02442	0.9
116.92892	0.3
122.97577	0.5
123.04546	0.5
128.03542	0.7
135.04491	0.8
136.99152	0.4
138.97075	2.7
142.06577	0.4
144.04492	0.7
144.08170	0.9
145.04947	0.5
145.08498	0.9
146.06139	3.1
147.06450	1.9
150.97081	1.0
160.07666	1.3
161.04587	0.5
161.07999	1.0
170.06061	0.8
171.06419	0.7
176.01068	0.4
177.03938	0.4
180.98123	1.1
186.05693	0.4
187.06024	0.4
188.07150	3.5
189.07527	2.7
191.03545	0.4
191.05544	0.8
198.99188	2.0
207.44537	0.4
219.08662	0.8
241.00261	4.0
256.99640	0.5
259.01309	1.2
309.20999	0.4
311.99005	0.4
313.33826	0.4
362.19843	0.4
403.16086	0.4
405.17633	0.6
441.15982	1.5
447.14954	1.8
485.16949	100.0
486.17346	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	485.1692
Annotation	Callophycoic acid A
Peak:m/z	Relative Intensity
51.76132	0.6
52.06444	0.7
55.01866	0.7
57.03429	0.7
59.01376	33.0
59.11809	0.8
60.99281	0.7
61.98809	1.9
64.61470	0.7
66.62533	0.6
69.03452	1.1
69.57201	3.7
71.01038	0.9
71.01382	10.5
72.99298	5.0
73.02947	4.2
75.00865	5.1
78.95883	2.0
79.95739	7.2
80.96487	2.3
82.97156	0.6
83.01384	1.5
85.02942	6.9
85.06582	1.4
87.00854	2.4
89.02425	6.9
89.21339	0.6
95.01363	1.4
95.95219	5.4
96.90005	0.6
96.96001	64.4
97.02951	1.0
99.00842	1.9
101.02431	8.4
102.02784	0.7
109.02911	1.0
109.98316	0.8
111.00871	1.0
113.02436	6.2
114.98798	0.6
119.03466	2.6
122.97569	1.0
125.02390	1.0
129.01917	1.2
130.08728	6.6
131.09055	1.7
133.02899	0.7
134.03783	1.1
135.04549	0.9
137.02409	1.2
138.97020	2.6
150.97060	1.2
152.99588	1.7
155.14359	1.8
161.02385	1.0
161.04523	1.5
179.05530	1.0
181.15926	1.6
191.05598	0.8
193.15930	0.6
199.13377	8.7
225.00754	2.0
225.11263	0.7
225.14835	1.9
238.98676	1.1
241.00185	11.5
256.99652	1.1
285.02734	1.1
304.70764	0.7
323.18665	1.2
323.68552	2.3
342.61511	0.9
361.12305	0.7
375.49112	0.7
381.69180	1.7
403.68875	1.4
404.17758	2.5
405.16388	1.0
405.21268	13.0
406.21417	1.2
425.25436	1.1
484.25308	1.0
484.65820	1.2
485.16785	100.0
485.25375	6.0
485.32391	5.8
485.68292	1.2
486.17267	9.4
486.26758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97140	0.7
51.33156	1.0
53.19093	0.7
57.03426	2.5
59.01093	1.6
59.01374	23.5
68.99788	1.2
69.03444	2.6
71.01379	8.3
71.63338	1.0
72.99276	1.9
73.02950	5.6
79.01942	1.0
79.95735	8.3
80.10589	0.7
80.96507	4.7
83.01375	2.4
85.02943	5.8
87.00855	5.9
88.04037	2.0
88.94577	0.7
89.02432	3.2
91.01888	35.5
92.02281	0.8
96.96003	53.1
97.02938	2.7
98.95580	2.2
99.00880	3.1
101.02448	5.3
109.02962	2.0
111.00827	1.5
113.02462	5.4
117.03442	2.4
117.05569	33.1
119.03516	1.1
119.05002	1.3
121.02910	2.5
122.97569	1.1
123.04501	1.4
125.02428	1.6
129.01953	3.7
132.02170	2.8
133.02924	3.6
134.03732	68.5
135.00874	100.0
135.04422	2.8
136.01207	2.1
137.02490	1.1
138.97040	3.4
141.01921	2.2
149.06067	41.4
150.97046	1.1
152.01134	1.5
153.01935	6.2
155.03561	1.1
159.02924	0.9
160.01666	18.8
161.02428	7.4
166.96588	1.2
173.04546	1.3
175.03990	21.5
176.04721	0.9
178.02634	1.8
179.03546	2.1
191.05640	5.8
191.07133	1.5
193.05032	34.5
194.05420	1.4
209.06651	3.3
215.36227	0.8
217.08641	1.8
218.14288	0.8
222.99078	2.3
233.08119	3.2
235.06038	2.2
241.00211	73.8
242.00507	2.0
243.06555	5.1
256.99570	1.2
261.07632	2.1
275.05670	1.6
305.17426	1.0
309.11838	2.6
335.07654	4.5
359.67654	0.8
367.10284	50.4
368.10516	3.9
377.01541	1.5
385.11288	5.4
443.15607	4.7
449.14859	9.0
485.12292	11.9
485.18347	11.5
486.27017	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97140	0.7
51.33156	1.0
53.19093	0.7
57.03426	2.5
59.01093	1.6
59.01374	23.5
68.99788	1.2
69.03444	2.6
71.01379	8.3
71.63338	1.0
72.99276	1.9
73.02950	5.6
79.01942	1.0
79.95735	8.3
80.10589	0.7
80.96507	4.7
83.01375	2.4
85.02943	5.8
87.00855	5.9
88.04037	2.0
88.94577	0.7
89.02432	3.2
91.01888	35.5
92.02281	0.8
96.96003	53.1
97.02938	2.7
98.95580	2.2
99.00880	3.1
101.02448	5.3
109.02962	2.0
111.00827	1.5
113.02462	5.4
117.03442	2.4
117.05569	33.1
119.03516	1.1
119.05002	1.3
121.02910	2.5
122.97569	1.1
123.04501	1.4
125.02428	1.6
129.01953	3.7
132.02170	2.8
133.02924	3.6
134.03732	68.5
135.00874	100.0
135.04422	2.8
136.01207	2.1
137.02490	1.1
138.97040	3.4
141.01921	2.2
149.06067	41.4
150.97046	1.1
152.01134	1.5
153.01935	6.2
155.03561	1.1
159.02924	0.9
160.01666	18.8
161.02428	7.4
166.96588	1.2
173.04546	1.3
175.03990	21.5
176.04721	0.9
178.02634	1.8
179.03546	2.1
191.05640	5.8
191.07133	1.5
193.05032	34.5
194.05420	1.4
209.06651	3.3
215.36227	0.8
217.08641	1.8
218.14288	0.8
222.99078	2.3
233.08119	3.2
235.06038	2.2
241.00211	73.8
242.00507	2.0
243.06555	5.1
256.99570	1.2
261.07632	2.1
275.05670	1.6
305.17426	1.0
309.11838	2.6
335.07654	4.5
359.67654	0.8
367.10284	50.4
368.10516	3.9
377.01541	1.5
385.11288	5.4
443.15607	4.7
449.14859	9.0
485.12292	11.9
485.18347	11.5
486.27017	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39790	0.3
59.01374	1.9
61.98812	0.3
66.00516	0.2
66.13195	0.2
71.01376	0.7
71.62992	0.4
78.95898	3.7
79.95725	3.6
80.96516	0.5
85.02950	0.4
89.02436	0.5
96.96004	100.0
96.96891	5.6
97.95930	0.5
98.95608	0.6
101.02457	0.8
113.02410	0.5
130.08717	0.5
137.34485	0.3
138.97098	0.4
143.12001	0.3
163.11247	0.5
221.33189	0.3
241.00221	1.3
255.96779	0.2
343.03268	0.2
387.16519	4.6
411.18246	0.3
427.13974	0.3
485.16977	12.5
485.27094	1.7
486.17459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	30.7
65.82901	3.7
68.07022	3.8
69.41080	33.5
71.01381	12.6
73.02927	6.3
75.38998	4.1
75.92646	3.7
78.95899	10.5
85.02935	3.5
87.00871	5.9
89.02426	9.9
96.96010	71.5
96.96959	6.8
97.02875	3.9
101.02447	6.9
108.90189	10.9
110.61628	3.6
112.97697	3.8
113.02419	4.7
124.01645	4.9
127.05116	4.0
130.08731	7.7
131.23131	3.7
138.96976	4.0
139.03963	7.6
143.03485	4.3
144.08160	5.1
146.06078	9.2
147.06377	4.4
150.03137	9.1
161.04584	7.7
163.28986	3.8
165.05594	37.0
188.07079	13.6
189.07504	5.6
201.02486	21.0
213.07692	5.0
241.00313	8.0
252.16864	4.2
264.12360	5.1
343.03610	5.9
425.12518	6.4
449.16742	45.1
485.14941	100.0
486.14194	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.2
59.01375	63.6
61.98826	58.3
61.99145	3.3
68.99810	3.0
69.03445	7.9
71.01377	18.3
71.62846	1.9
72.99306	11.7
73.02946	3.7
73.27686	1.9
75.00865	11.5
79.01891	2.8
79.95744	12.3
80.96524	4.1
83.01384	5.2
85.02938	11.7
87.00874	6.8
88.04034	2.2
89.02446	4.4
91.01884	2.7
93.03459	5.0
93.43465	1.7
96.96004	100.0
97.02951	7.6
98.95589	10.8
99.00857	3.0
99.04539	2.1
101.02435	4.3
109.02946	5.1
111.00840	2.9
111.08142	5.1
111.26566	1.7
113.02450	7.4
115.04065	1.9
117.01922	4.6
117.03461	5.8
117.05573	96.2
119.05087	1.9
129.01938	9.6
130.08791	1.5
132.02165	4.7
133.02950	3.1
134.03729	93.5
135.00882	6.7
135.04445	2.7
137.02449	12.6
138.97078	4.3
141.01936	6.2
149.06050	18.7
150.96992	1.7
153.01917	2.7
155.03458	4.3
159.02939	3.5
160.01651	29.0
161.02325	3.4
172.54163	1.6
173.04538	9.6
173.08229	5.5
175.03987	39.7
176.04681	3.1
177.00027	1.9
177.01997	2.1
178.02730	5.6
179.03577	1.7
180.98274	1.8
191.05621	13.7
191.07104	3.4
193.05051	75.4
205.51971	1.7
209.06686	8.2
217.08836	2.7
233.08179	6.8
235.06146	5.3
241.00180	18.7
256.99738	5.5
261.07697	5.1
275.05731	2.9
300.79153	1.8
309.11841	5.1
311.07779	6.8
323.68768	3.1
335.07703	7.3
367.10284	98.9
368.10648	6.2
385.11441	15.4
411.11984	5.8
425.21704	3.6
449.14804	19.0
471.34259	2.5
484.64252	2.9
485.15085	20.3
485.20709	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97615	0.3
59.01378	0.5
65.00315	0.9
69.44228	2.5
71.01382	0.9
73.02927	0.4
78.24236	0.3
79.95730	3.5
80.96499	2.4
81.88364	0.3
83.01402	0.4
85.02940	1.1
87.00869	0.8
91.01886	29.9
92.02239	0.4
92.93546	0.3
96.96001	24.8
98.19743	0.3
101.02437	1.7
104.96864	0.3
109.02921	1.1
113.02430	0.9
135.00871	100.0
136.01215	2.4
138.97047	1.5
142.05139	0.3
150.97035	0.9
153.01923	6.0
166.96524	1.3
193.05257	0.4
217.19521	0.3
222.99136	1.9
241.00201	66.8
242.00575	1.8
243.06590	5.7
273.22168	0.3
297.06326	0.4
377.01648	1.8
485.07562	5.6
486.07968	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
69.79971	1.7
71.01372	1.2
73.02957	0.3
78.95902	1.3
79.95727	3.2
85.02939	0.4
89.02439	1.0
96.96003	100.0
98.20628	0.3
98.95596	1.1
101.02439	1.0
107.78237	0.3
113.02417	0.6
138.97067	0.5
149.18106	0.3
161.04880	0.3
161.07153	2.1
171.68295	0.3
175.08728	0.6
189.06677	2.7
203.08223	0.5
207.10185	0.4
216.25267	0.3
241.00262	1.0
241.11972	0.4
256.99777	0.3
257.13364	0.3
305.11423	0.4
387.16568	5.7
388.17230	0.4
451.22269	0.3
485.17261	11.7
486.17874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98180	0.5
59.01365	1.2
63.50427	0.4
65.00287	0.5
68.15392	0.4
71.01363	1.5
71.62515	0.7
71.62900	0.7
75.00861	1.3
79.95728	1.2
80.02670	0.8
80.96513	1.0
85.02953	0.7
87.00832	0.5
91.01887	13.2
95.01379	1.2
96.96001	8.4
101.02427	0.8
101.81729	0.4
107.05047	0.5
108.02166	16.2
109.02979	3.6
113.02432	0.9
116.11277	0.4
121.02905	0.7
123.00875	4.7
124.01720	0.7
124.94824	0.4
130.08705	5.8
135.00873	14.5
136.36682	0.4
137.02452	2.6
138.97028	0.8
152.01135	14.8
169.06551	0.4
197.06010	1.3
199.07573	0.8
213.05498	1.0
215.07076	0.8
231.41171	0.4
241.00206	22.6
243.06583	100.0
244.06932	4.6
248.94704	0.4
368.05386	0.5
376.25259	0.4
404.71402	0.5
484.20361	0.8
485.07516	9.1
485.20129	1.8
486.07669	0.6
486.27048	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	485.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44823	0.3
55.01878	0.7
56.81670	0.2
59.01384	1.5
67.54758	0.2
69.03465	1.6
69.26882	2.1
69.55537	0.2
71.01376	3.7
71.06930	0.2
72.99303	1.5
73.02937	1.1
75.00880	1.1
79.01880	0.7
79.95734	10.0
80.96519	6.1
83.01385	1.2
85.02948	2.8
87.00874	2.5
89.02430	0.5
95.01384	0.8
96.96007	82.8
97.02937	1.1
97.95972	0.3
98.95589	0.7
99.00906	0.8
101.02441	5.7
107.01392	1.2
107.10652	0.2
108.02164	2.5
109.02944	0.8
113.02444	3.8
115.00378	0.3
122.97556	0.8
125.02410	1.0
135.00905	2.4
137.02405	0.4
137.96265	0.6
138.97067	6.0
150.97050	2.0
152.01138	3.3
153.01941	1.5
153.98549	0.3
161.04626	0.3
166.96518	1.8
180.98105	0.9
197.06097	0.5
222.87520	0.3
241.00217	100.0
241.90057	0.3
242.00536	2.3
243.06627	1.0
244.16803	0.3
256.99582	0.3
323.18634	0.3
364.61264	0.3
377.01779	3.5
382.18338	0.9
404.17245	0.7
434.33014	0.3
472.34552	0.3
484.19669	0.6
485.07571	28.8
485.19217	3.3
486.08023	2.0
486.18484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27379	0.8
59.01358	1.0
61.98800	1.0
69.29322	6.6
72.00898	2.5
73.04063	8.8
74.02466	22.7
82.06602	0.9
86.02471	1.9
87.05627	1.8
98.19846	1.8
99.05612	1.0
104.03532	15.2
112.02816	1.3
122.09730	1.1
126.09221	2.2
130.08655	2.6
139.08751	2.1
141.10303	3.3
143.11893	12.7
152.07147	4.2
153.10303	2.3
155.11882	14.4
163.21292	0.8
168.11424	1.0
169.09776	6.3
171.11382	0.9
173.12866	1.3
174.02797	0.9
187.10818	3.4
200.14026	27.3
212.14005	13.5
226.21741	33.0
227.21866	1.3
230.15047	3.1
244.13200	1.0
266.21204	2.6
270.20715	2.6
283.23840	6.2
287.22141	3.1
288.22476	2.6
379.29706	2.0
397.30585	7.3
422.33798	8.9
423.34058	1.0
431.38348	0.8
447.74051	0.9
454.32822	33.7
455.33035	3.3
466.32721	2.3
467.06339	0.9
484.33832	100.0
485.34058	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	483.3113
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
59.01369	1.1
60.99298	3.6
61.98822	0.8
73.17282	0.6
81.03458	0.9
96.96008	1.5
99.04517	1.5
349.25534	0.7
351.26367	0.6
375.26819	0.7
377.28363	1.0
389.28705	1.2
391.30286	1.3
393.28253	0.8
403.30093	1.4
405.27707	1.7
407.29663	1.7
409.31058	2.5
421.31073	9.3
422.31540	0.7
437.30652	0.9
439.32489	2.7
483.31116	100.0
484.31476	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	484.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01082	1.2
59.01372	14.0
61.98824	12.0
65.68539	0.6
69.72710	3.7
71.01376	12.1
72.34524	0.7
72.99297	2.0
73.02926	3.9
74.99097	2.4
78.18067	0.6
79.95747	5.5
80.96488	1.6
82.95415	1.0
83.01405	1.4
85.02949	3.0
87.00854	1.5
89.02435	6.1
95.95257	1.7
96.96001	42.4
97.02894	0.8
97.95948	0.7
98.95599	2.2
99.00878	2.6
101.02430	7.8
113.02443	2.9
116.05051	2.0
119.03471	1.5
128.03549	1.0
128.05087	1.3
130.06604	6.0
130.08667	0.7
131.03671	2.2
131.04784	0.8
134.03729	1.9
136.99168	3.5
138.97034	2.8
142.06587	5.0
143.03535	1.0
144.03470	1.3
144.04546	15.5
144.08173	10.3
145.05307	2.9
146.06107	45.6
147.06410	1.8
148.05237	1.0
149.06042	3.6
150.32687	0.7
153.05553	1.1
154.30806	0.7
156.08153	1.8
158.06107	4.7
160.07652	16.1
161.04549	1.7
170.06097	12.4
172.04019	1.5
172.07661	1.1
174.05542	1.3
174.09212	2.6
177.02011	0.9
186.05609	4.9
188.07141	53.4
189.07489	1.8
190.05046	10.0
191.05350	0.8
195.78485	0.7
200.07114	1.8
206.08171	0.8
207.21165	0.7
218.08212	7.2
230.08234	1.4
232.06105	5.3
241.00223	5.8
242.00670	1.0
242.07973	0.8
262.10748	5.5
305.39896	0.7
308.11292	4.1
316.07614	0.7
338.12381	1.0
352.10223	1.0
422.69708	0.7
440.15622	9.5
454.14630	1.3
466.13599	3.2
483.15997	0.8
484.14719	100.0
485.17001	58.4
485.25491	0.8
485.26962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36642	0.6
59.01373	10.9
60.40275	0.7
61.98811	1.4
70.36639	1.0
70.36989	1.8
71.01374	10.9
72.99271	1.0
73.02931	3.6
83.01393	0.7
85.02927	1.6
88.05130	0.6
89.02437	4.4
96.96001	5.4
99.00861	2.5
101.02426	5.1
106.77126	0.8
113.02431	2.5
116.05045	2.0
119.03453	1.3
125.02361	1.1
128.05045	1.6
130.06619	6.6
131.03697	3.3
142.06590	5.0
144.03461	1.3
144.04550	14.3
144.08163	11.5
145.05362	3.7
146.06108	43.6
147.06407	1.9
156.08157	1.1
158.06160	4.4
160.07664	21.2
161.04549	1.3
161.08028	1.0
168.04442	0.7
170.06093	13.2
172.03987	1.1
172.07707	0.9
174.05621	0.7
174.09210	2.4
175.91377	0.7
182.06158	0.8
186.05630	5.7
188.07153	56.7
189.07533	1.1
190.05077	8.7
200.07143	3.1
206.08002	1.1
212.07147	0.7
214.04965	0.8
218.08220	7.7
230.08136	1.0
232.06139	6.2
241.00284	0.7
271.02463	0.7
299.01923	1.4
308.11267	4.8
320.11404	1.8
352.10468	1.2
440.15570	11.0
451.05530	0.8
466.13168	1.2
484.14566	100.0
485.15942	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	483.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55084	0.3
61.09140	0.4
69.05541	0.3
69.41338	1.7
69.41753	0.9
78.95901	15.2
96.96947	1.9
150.97919	0.4
152.99577	28.9
159.06003	0.3
171.00607	1.0
188.39484	0.3
227.03238	3.9
227.38806	0.3
245.04271	1.3
255.23267	100.0
256.23615	5.4
329.96518	0.3
391.22488	1.0
428.63232	0.4
435.50772	0.4
451.47079	0.4
483.27252	63.9
484.27652	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3112
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
50.78967	0.1
53.94984	0.1
59.01357	0.3
68.54018	0.1
69.44878	0.7
69.45297	0.2
73.02943	0.3
78.95867	0.2
93.57596	0.1
96.95944	0.2
97.06632	0.2
98.19891	0.2
101.68534	0.1
111.61353	0.1
130.45383	0.1
131.32681	0.1
142.16403	0.1
152.99516	0.2
236.94785	0.1
253.21700	0.3
254.22067	0.3
255.22318	0.4
279.23230	0.3
391.30002	0.2
393.27396	0.1
393.31857	0.2
421.30701	0.2
437.30377	1.1
439.32101	7.5
440.32361	0.8
483.31094	100.0
484.31424	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	483.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31888	0.2
59.01366	0.6
61.30980	0.2
69.89365	1.0
71.01361	0.7
78.95895	4.3
79.95728	4.0
80.96506	0.6
82.18357	0.2
85.02939	0.2
88.98839	0.2
95.95239	0.4
96.96003	100.0
96.96900	7.8
97.95943	0.4
98.95590	0.8
101.02415	0.4
115.92069	0.3
138.97086	0.4
225.36470	0.2
241.00237	1.7
247.56032	0.2
483.15475	15.9
484.15594	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98825	1.9
71.01378	3.3
72.99311	1.0
73.02943	0.9
75.00892	0.6
78.95906	0.6
79.95737	4.8
80.96516	3.0
83.01398	0.6
85.02941	1.4
87.00868	0.8
88.67255	0.3
89.02444	1.0
94.98051	0.3
95.95229	2.4
96.96005	94.4
98.95599	0.8
99.00881	0.5
101.02412	1.9
109.02946	0.5
110.97585	2.1
111.00893	0.4
113.02441	1.2
117.01952	0.4
122.97598	1.6
137.02390	0.4
138.97102	1.9
139.12291	0.4
150.03142	0.3
150.97038	2.9
153.01941	0.4
164.98615	0.7
177.04037	0.4
180.98099	1.5
193.04945	0.4
198.99161	0.6
233.50676	0.4
240.97917	0.6
241.00198	7.3
242.25957	0.4
256.99686	1.1
259.01288	0.5
409.11679	33.5
410.11771	1.8
482.66132	0.5
483.15244	100.0
484.15649	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	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
61.98834	1.7
69.32160	6.3
71.01382	5.0
72.99287	2.4
73.02953	1.1
75.00856	1.0
79.95729	9.0
80.96511	5.9
83.01367	1.8
85.02953	1.8
87.00880	2.1
89.02442	2.2
95.95228	4.6
96.96005	100.0
97.02971	0.8
98.95544	1.8
99.00897	0.9
101.02441	2.6
109.19156	0.6
110.97575	4.1
111.00849	3.3
113.02456	1.9
116.90331	0.7
120.96043	0.9
122.97610	0.9
129.01936	2.3
134.03766	1.1
138.97061	11.3
144.79947	0.7
150.97041	2.0
159.03075	0.9
168.98039	0.8
177.04068	0.8
180.98067	0.8
193.05028	1.7
198.99168	9.7
210.99110	0.8
217.12555	0.8
238.98628	4.5
241.00221	6.9
256.99710	12.2
257.99893	1.2
259.01309	18.9
263.46881	0.7
325.05994	1.2
331.03354	11.4
388.40411	0.8
403.19681	2.7
423.13232	2.5
425.11417	2.0
483.15634	76.4
484.15057	6.5
501.97110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.117
Annotation	3'-histidyl-AMP
Peak:m/z	Relative Intensity
50.44003	0.5
52.97011	0.4
59.01374	3.2
70.63425	1.6
71.01369	2.4
79.95730	22.5
80.96513	1.8
83.01402	0.6
85.46754	0.5
89.02432	0.9
94.98073	1.4
95.95222	16.0
96.96002	100.0
98.95583	2.0
101.02428	1.6
110.97567	3.5
113.02427	0.9
117.71800	0.5
118.09686	0.5
122.97531	0.9
132.87793	0.5
134.03648	0.5
137.02451	0.5
138.97035	3.3
141.95686	0.7
149.06052	0.9
150.96989	1.5
152.01024	0.5
152.98569	1.2
164.98587	0.7
165.01834	0.8
165.05487	1.0
166.02710	0.6
167.00078	0.6
167.03432	0.9
180.98055	1.2
182.99596	2.0
193.05038	3.0
198.57899	0.5
198.99100	1.0
213.00615	0.6
225.00737	6.5
240.97998	0.6
241.00215	7.0
256.99692	3.4
259.01056	1.5
262.10724	1.2
300.67038	0.6
331.05295	0.8
373.10858	1.4
399.37939	0.5
439.08615	0.7
453.07138	2.6
467.08231	1.2
483.11151	91.1
484.11456	7.0
490.56592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.8
68.55108	0.5
71.01356	2.1
71.62820	0.4
73.02926	0.5
79.95730	16.1
80.96519	2.7
85.02927	1.1
87.00845	1.0
88.14007	0.5
89.02442	1.1
91.11913	0.5
94.98071	1.4
95.95223	10.9
96.96001	100.0
98.95578	1.7
101.02439	1.8
101.82619	0.4
108.35679	0.4
110.97557	2.9
113.02432	1.3
113.81957	0.5
119.51636	0.4
122.97530	0.9
134.03706	0.9
135.04533	0.5
137.02423	1.4
138.97047	3.1
141.95753	1.2
149.06073	1.4
150.97055	1.8
152.98639	1.2
166.02707	0.6
167.00046	0.5
177.04109	0.7
180.98056	1.0
182.99683	1.6
193.05031	1.8
197.01309	0.7
197.13007	0.6
198.99129	0.7
208.99107	0.6
209.06604	0.8
212.94783	0.5
213.00659	0.9
223.23900	0.4
225.00729	5.6
241.00198	7.4
241.11981	3.1
256.99673	2.4
259.01288	1.5
262.10822	2.8
341.08563	0.6
371.10046	0.5
372.09497	0.5
373.11301	1.0
403.15915	0.5
425.11411	1.1
453.07089	1.6
467.08780	0.9
483.11972	61.5
484.12201	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	483.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.7
57.03442	1.3
59.01376	6.6
61.98810	1.4
64.68549	0.5
71.01380	7.2
71.63052	0.5
72.99300	1.4
73.02924	4.1
75.00864	1.2
78.95041	0.5
79.95732	12.1
80.96510	11.6
81.62022	0.6
83.01380	3.5
85.02959	3.5
87.00867	5.5
89.02424	1.3
94.98076	1.9
95.95235	2.5
96.87894	0.5
96.96003	100.0
98.95569	0.8
99.00875	3.2
99.04580	0.6
100.98177	0.6
101.02436	4.8
110.97606	3.7
111.00872	10.9
112.01261	0.5
113.02457	2.2
115.00373	1.0
119.03465	0.6
120.95987	1.9
122.97617	1.0
123.74484	0.6
127.00369	1.7
129.01936	6.0
130.72636	0.5
135.04504	0.5
136.95497	0.9
138.97060	8.8
147.42638	0.5
150.97063	1.9
151.07639	2.5
154.96541	1.0
159.02957	2.5
166.96516	0.5
167.07043	0.8
168.98160	0.6
170.16571	0.5
177.04051	1.4
180.98160	0.8
189.12852	0.9
190.96512	0.7
192.98111	0.7
193.05098	0.6
198.99178	5.1
210.99126	2.3
217.12270	3.8
235.13376	0.8
238.98642	16.2
241.00220	10.8
256.99698	40.7
257.99948	1.5
259.01288	7.9
263.47217	0.6
325.05981	1.2
331.03366	4.2
347.56924	0.7
395.10165	0.7
403.19598	0.7
403.46646	0.5
423.13290	2.2
425.11081	1.5
447.09146	0.5
483.18826	77.6
484.15067	2.8
484.19342	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68694	0.2
56.50980	0.2
57.03413	0.3
57.54700	0.2
59.01380	0.7
69.29977	2.7
71.01357	0.6
78.95886	0.5
79.95737	3.0
80.96508	0.3
83.01385	0.2
85.02954	0.5
95.95241	0.6
96.96004	100.0
98.95591	0.8
99.47726	0.3
101.02439	0.3
113.02452	0.3
129.01971	0.6
132.12904	0.3
134.03740	1.1
138.96974	0.4
177.04161	0.3
193.05077	1.0
209.06677	1.2
235.77608	0.3
241.00195	0.9
245.08913	0.2
256.99725	1.2
259.01355	0.3
324.20358	0.3
385.11386	2.9
483.15280	9.1
484.15631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2117
Annotation	Paraensidimerin C
Peak:m/z	Relative Intensity
55.01870	0.6
57.03433	1.2
57.81459	0.4
58.57353	0.3
59.01375	1.4
69.79754	0.7
69.80148	1.7
71.01380	2.7
72.99305	0.7
73.02942	0.7
75.00857	0.9
78.95893	0.9
79.95735	10.7
80.96510	10.3
81.95325	2.5
82.96082	1.1
83.01395	1.3
85.02934	2.0
87.00862	3.9
89.02439	0.7
94.98080	1.2
95.95232	0.9
96.96004	54.6
97.95959	0.6
98.20600	0.7
98.95590	10.9
98.96421	1.8
99.00873	2.0
101.02448	2.0
103.00391	0.8
111.00135	0.8
111.00872	9.5
111.08321	0.3
113.02441	0.7
115.00372	1.0
120.95996	1.7
122.03680	0.4
127.00366	1.3
129.01930	5.4
138.97070	4.3
140.96695	0.5
154.96625	1.2
159.03033	2.2
163.32933	0.3
166.96564	0.6
177.04013	0.6
192.98128	0.5
210.99225	1.6
238.98653	13.3
239.99081	0.4
240.98195	0.5
241.00278	7.0
242.00598	0.6
243.00014	1.6
256.99698	27.8
258.00076	1.1
258.99283	1.8
270.58246	0.4
356.27881	0.4
413.99838	0.4
481.20819	100.0
482.21207	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	481.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05362	0.7
55.03876	0.8
64.03271	0.7
64.97734	0.7
69.49113	0.7
78.95895	36.3
96.96964	2.5
114.89930	0.7
152.99573	57.3
166.87067	0.8
171.00638	15.7
227.03140	4.0
245.04282	100.0
246.04623	1.7
253.21698	62.2
254.21983	2.5
376.15414	0.8
481.25650	52.3
482.26184	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
56.04204	0.3
57.03440	0.8
58.70452	0.3
59.01370	3.7
59.66904	0.4
60.29202	0.3
61.98824	2.5
66.50435	0.4
66.59547	0.3
68.99802	0.4
69.03432	0.6
69.52393	2.7
71.01376	3.7
72.99301	1.1
73.02922	0.9
75.00868	0.7
79.95727	8.8
80.96506	10.5
83.01373	1.8
85.02937	2.2
87.00866	3.9
89.02437	1.1
94.98090	1.0
95.95239	1.1
96.96001	58.9
97.02950	0.4
98.20771	0.6
98.95583	1.1
99.00870	2.1
101.02431	2.4
103.00328	0.5
109.02941	0.6
111.00117	0.7
111.00863	7.8
113.02431	2.2
115.00352	0.6
116.84621	0.3
120.95998	1.5
122.97537	0.5
125.73597	0.4
127.00336	1.1
129.01927	4.9
134.03738	1.2
136.95456	0.6
136.99121	0.4
138.97061	4.3
150.97057	0.9
154.96519	0.9
159.02943	1.9
166.96481	0.6
167.00146	0.4
177.04054	0.8
192.98065	0.9
193.05074	0.9
196.97656	0.4
209.06511	0.5
210.99135	1.5
222.06635	0.4
230.02158	0.9
238.96313	0.7
238.98636	11.8
241.00191	8.4
256.99689	27.8
258.00055	0.6
259.01340	0.4
305.08606	0.4
341.05786	0.8
437.08740	0.7
481.17419	100.0
482.17697	7.7
482.24155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05009	0.4
61.98828	100.0
69.47864	3.0
78.95889	0.8
93.94105	0.5
96.96013	0.7
109.25889	0.5
126.55045	0.5
129.10345	0.7
130.78334	0.5
149.64050	0.5
283.26514	1.6
399.90488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	0.1
62.96399	0.1
64.63411	0.0
69.92392	0.3
71.01407	0.1
78.95897	17.9
96.96968	0.2
104.97491	0.1
108.01609	0.1
122.98508	0.1
134.98499	0.2
138.44713	0.1
150.97974	0.1
152.04843	0.1
152.98532	0.1
152.99571	2.5
168.04297	2.7
171.00583	0.2
194.05896	0.1
202.07159	0.2
224.06900	8.0
225.07281	0.2
237.22238	0.2
242.07959	1.8
242.10295	0.1
245.04295	1.0
253.21667	0.8
255.23260	100.0
256.23596	5.4
281.24820	0.3
282.25305	0.3
283.25537	0.5
391.22552	0.1
444.33240	0.1
480.30875	30.6
481.25366	0.4
481.31332	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	481.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31298	0.6
55.01884	1.1
57.03443	5.1
58.00595	0.6
59.01374	60.1
59.79241	0.7
61.98816	1.5
68.99857	0.9
69.03437	1.0
69.41284	2.1
69.41702	3.7
71.01378	12.9
72.99302	1.6
73.02941	1.4
75.00862	5.3
79.95737	1.5
80.96505	0.8
83.01388	2.1
84.02116	1.5
85.02945	45.1
86.03262	0.9
87.00856	4.2
89.02434	2.2
95.01373	12.6
96.95995	10.9
96.96571	0.8
97.02942	1.4
98.20655	1.5
99.00875	7.3
99.04552	0.8
101.02434	2.1
103.00377	4.9
113.02438	100.0
114.02773	1.7
115.00327	1.1
117.01907	2.7
125.02451	4.4
127.04032	1.6
129.01938	1.9
143.03442	6.3
145.05040	0.9
151.00323	1.3
155.03493	2.8
161.02441	0.7
175.02467	23.7
175.03836	1.0
176.02815	0.7
185.04459	4.4
208.99150	1.1
235.04477	4.0
241.00217	3.2
271.02478	1.7
300.02710	0.8
403.53458	0.7
413.63364	0.8
481.13687	19.3
482.13699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03058	0.4
53.32056	0.4
55.01852	0.7
57.03432	1.2
59.00016	0.4
59.01376	20.1
60.00263	0.4
69.03429	0.5
69.91066	2.0
71.01373	5.9
72.99316	0.7
73.02933	1.4
75.00867	1.1
78.85284	0.4
78.91870	0.5
79.95734	9.9
80.96510	4.7
83.01386	1.5
85.02946	15.9
86.69989	0.5
87.00875	2.7
89.02428	1.4
95.01395	4.2
95.95209	0.6
96.96004	50.0
99.00876	2.9
101.02441	2.7
103.00352	1.3
111.00893	0.4
113.02440	34.0
114.02779	0.7
117.01926	0.6
125.02409	2.0
129.01909	1.2
131.06506	0.5
137.96246	0.8
138.97064	5.3
143.03491	2.3
150.97037	0.8
155.03421	1.0
166.96564	0.5
175.02472	8.5
175.03931	0.9
185.04523	1.8
198.99153	0.6
235.04562	1.0
238.98634	1.9
241.00211	16.3
256.99695	5.2
259.01273	1.0
271.02600	0.6
281.97778	0.5
283.09662	0.5
299.02032	0.7
300.02682	0.7
301.02979	0.8
319.26974	0.6
459.54623	0.5
481.13794	100.0
482.14035	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	481.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37099	0.6
53.74507	0.6
55.01864	1.4
57.03450	0.8
58.00573	0.6
59.01374	9.2
69.63628	0.9
69.64040	2.7
71.01376	10.3
71.05034	1.2
72.88563	0.5
72.91581	0.5
72.99310	1.5
73.02947	2.4
79.95734	15.5
80.96508	8.4
82.72558	0.5
83.01369	1.9
85.02949	5.0
87.00867	3.5
88.36177	0.6
89.02438	4.2
95.01401	0.7
95.95218	2.4
96.96001	100.0
98.95586	3.0
98.96410	0.5
99.00848	1.1
101.02434	10.4
107.75182	0.6
111.00842	1.1
113.02429	5.5
114.02744	0.7
119.03503	1.1
120.99680	0.9
121.10290	0.6
128.65317	0.6
129.01915	0.6
137.96310	0.7
138.97069	6.2
150.97026	2.2
159.11778	0.8
165.09119	0.6
166.96503	1.9
177.12823	0.8
221.11827	0.7
239.12871	1.6
241.00217	20.3
242.99730	0.9
256.99850	3.0
327.07480	0.7
397.11508	1.0
401.18069	7.5
402.57501	0.6
453.14240	2.2
481.14044	98.7
482.14398	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	479.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71518	5.3
52.13773	5.7
52.91995	6.1
58.22346	5.8
61.98832	100.0
63.99251	8.2
69.42451	54.8
75.90239	5.7
78.95872	9.8
89.35926	6.1
90.87609	6.4
98.20615	14.2
106.41421	6.2
109.46549	6.2
185.02208	11.7
281.24683	12.0
295.26376	11.5
342.79742	8.4
344.94623	7.4
346.45056	6.3
364.95566	6.5
479.28195	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	479.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83103	5.4
57.41102	3.6
59.01363	7.3
61.98829	100.0
67.28143	4.6
71.62904	6.0
78.95902	13.8
96.69414	4.7
96.92487	4.9
96.95992	16.6
108.91311	4.0
110.98510	9.5
130.08727	12.6
143.11905	27.6
150.58714	5.1
185.02138	12.2
229.51395	4.5
283.26303	24.5
304.21063	5.0
315.58282	4.6
326.63202	5.0
370.55844	4.6
407.31522	5.2
407.36813	5.4
422.72943	4.5
449.33902	12.4
452.75793	5.1
479.19739	5.3
479.28415	16.0
479.35330	8.2
480.30933	6.7
498.56467	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	479.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98826	100.0
62.05911	0.1
66.08804	0.2
68.58870	0.1
69.76437	1.0
73.12521	0.2
73.87947	0.2
78.95909	0.4
87.47840	0.2
105.25562	0.2
116.92806	0.2
128.07230	0.3
135.09079	0.2
148.71375	0.2
149.42346	0.2
200.09383	0.4
279.23318	0.4
402.43652	0.2
449.40793	0.2
480.32767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98931	0.3
61.98824	100.0
64.30469	0.3
69.68288	2.2
75.90166	0.4
77.18920	0.4
78.95904	1.1
96.96027	0.8
98.20596	0.7
115.72696	0.3
152.99576	0.7
187.48195	0.4
217.30318	0.3
245.04361	0.4
253.21664	0.4
255.23332	1.2
256.23660	1.0
283.26459	1.5
289.24765	0.4
415.80969	0.4
480.30127	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.6
61.98827	3.7
69.93581	0.7
69.93998	1.8
71.01366	0.6
75.00874	0.9
78.95899	58.8
79.95706	0.8
85.02966	0.6
96.96017	3.5
96.96955	6.4
135.57001	0.5
150.97995	1.7
152.99574	100.0
153.99925	1.1
171.00633	4.2
217.00162	0.7
293.17557	0.8
440.40012	0.5
479.20331	17.9
479.27698	0.8
479.30478	0.9
480.20755	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	479.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	2.3
71.24977	3.3
78.95904	36.5
80.96320	7.1
81.03455	3.3
91.05515	5.4
92.05052	63.1
99.04483	2.8
102.03441	2.6
115.14132	2.2
131.03787	3.5
136.04002	18.5
138.09204	3.3
146.09776	2.7
152.99612	11.4
155.00012	4.4
159.11740	5.8
171.00584	5.2
173.01048	5.2
174.09134	2.8
190.08580	3.7
192.10301	11.4
218.08235	5.4
236.09239	42.0
240.69164	2.4
245.04352	13.7
251.20128	8.5
253.21631	5.2
254.21983	7.4
260.12909	16.0
421.51083	2.2
449.14429	2.5
478.28299	3.1
479.21814	100.0
479.28766	28.4
480.21881	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	479.1952
Annotation	Paraensidimerin G
Peak:m/z	Relative Intensity
56.44292	0.3
57.03441	1.4
57.72463	0.3
59.01373	2.8
61.98819	1.1
68.99815	0.3
69.76518	1.7
71.01380	3.5
72.99291	0.7
73.02934	0.8
73.43760	0.3
75.00851	0.6
79.95267	0.6
79.95732	8.7
80.96512	9.9
83.01380	1.4
85.02944	2.4
87.00868	4.2
89.02440	0.9
94.98074	1.5
95.95246	1.1
96.96004	50.9
98.95582	0.4
99.00865	2.5
101.02426	1.8
103.00381	0.4
108.02270	0.3
111.00872	9.9
113.02467	1.5
115.00371	1.0
120.96003	1.6
122.97545	0.3
127.00359	1.3
129.01939	5.9
136.95514	0.4
138.97075	3.8
147.02956	0.3
150.97038	0.5
152.01114	0.4
152.99561	0.7
154.96556	1.2
159.02960	2.6
166.96530	0.7
167.00122	0.6
176.98714	0.3
177.04030	1.0
190.96515	0.4
192.98099	0.8
210.99181	1.9
225.47946	0.4
237.26476	0.4
238.98642	14.4
241.00206	7.6
256.99701	38.7
258.00052	0.9
316.38034	0.3
397.19504	0.3
399.20380	0.6
479.19629	100.0
480.20016	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	479.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78774	0.6
71.01359	1.4
79.95734	58.3
80.96527	3.9
80.96932	0.5
83.01371	0.6
87.00870	0.9
95.95196	0.7
96.96003	57.7
98.20713	1.6
98.32822	0.6
98.87189	0.6
101.02430	1.3
106.13155	0.7
111.00874	1.0
113.02499	0.8
129.01927	0.9
137.96292	0.9
138.97028	2.3
143.61073	0.6
173.43057	0.7
174.09744	0.6
205.53398	0.6
230.41003	0.6
238.98615	2.3
241.00189	9.2
256.99704	4.5
271.65726	0.6
479.19510	100.0
480.19772	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	479.195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19716	0.4
55.01879	0.4
57.03443	0.9
59.01368	1.0
61.29369	0.5
67.22916	0.4
68.72254	0.4
71.01389	3.2
72.99294	0.5
73.02923	0.6
75.00871	0.7
75.43003	0.4
79.95731	21.7
80.12566	0.4
80.96512	10.3
83.01376	1.2
85.02944	2.1
87.00874	3.9
94.98080	1.5
95.95238	6.9
96.96006	65.9
98.20654	0.8
99.00873	3.2
100.15470	0.4
101.02428	1.8
106.30414	0.5
111.00872	8.9
113.02435	0.8
113.18946	0.5
115.00359	0.9
120.95977	1.5
127.00363	1.4
129.01926	4.5
132.43726	0.4
138.97061	5.0
150.97069	1.6
151.97821	1.0
154.96594	1.0
159.02959	1.7
165.30333	0.5
166.96576	0.9
167.00179	0.5
171.64897	0.5
177.04103	2.0
190.96588	0.8
192.98062	0.5
210.99199	1.5
217.61324	0.5
222.99088	0.7
229.55901	0.5
238.98631	12.4
241.00198	7.0
242.00626	0.7
256.99716	28.8
258.00043	1.0
280.00049	0.4
429.09561	0.4
429.55032	0.4
479.19516	100.0
480.19846	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	479.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91351	2.0
53.05357	1.9
55.01854	3.6
57.03442	4.8
58.00577	2.7
59.01375	90.4
60.99296	3.6
61.63985	1.9
61.98827	28.6
69.38979	7.9
69.39407	9.9
71.01379	62.2
72.99292	5.0
73.02938	11.1
75.00882	5.0
83.01382	7.5
85.02947	22.5
86.31219	2.0
87.00851	5.7
88.98797	8.0
89.02441	47.2
95.01394	6.4
96.07123	1.8
96.96007	34.9
97.02932	3.2
98.42255	1.9
99.00863	3.1
101.02434	49.1
108.46820	2.0
109.02971	2.9
113.02427	28.1
115.03983	2.8
119.03513	21.0
119.04996	4.5
120.99654	3.3
127.05107	3.7
128.03548	9.4
129.01851	2.0
131.03528	4.1
134.03682	1.8
143.03503	5.8
149.02473	2.4
149.04581	2.9
152.01137	2.0
153.01898	2.1
153.05489	1.9
157.83838	2.0
159.02954	5.0
161.04549	21.0
162.05634	2.3
163.03958	3.6
167.03467	6.6
168.01547	2.0
179.05577	13.3
181.05011	2.2
183.06641	9.7
191.03328	2.2
209.06636	6.7
211.07069	3.3
257.10272	17.7
274.17944	2.5
287.09293	2.6
332.12601	2.7
355.10352	6.8
357.10922	4.6
419.15515	100.0
420.15964	6.6
435.13687	2.4
479.11441	4.8
479.17371	5.7
480.12439	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.4
59.01374	4.4
61.98813	1.2
63.57419	0.6
69.57671	4.7
71.01375	5.1
72.99294	1.0
73.02904	1.9
75.00855	0.9
79.95732	22.2
80.96510	16.0
83.01350	2.8
85.02946	3.1
87.00873	6.2
89.02393	0.7
94.25208	0.7
94.98051	1.8
95.95219	0.9
96.96004	72.7
98.19939	1.6
99.00871	3.8
101.02397	2.7
103.00371	1.3
111.00874	13.3
113.02399	2.1
113.88299	0.7
115.00329	1.6
120.95965	2.4
127.00307	1.3
129.01921	8.4
134.03693	0.6
136.95474	1.1
138.96169	0.6
138.97035	5.5
154.96471	1.1
159.02982	3.4
166.96426	1.1
167.00072	0.8
177.03905	1.3
190.96515	0.9
192.97966	0.8
193.04955	0.9
210.99030	1.5
238.96410	1.1
238.98622	19.6
239.98874	0.8
241.00172	10.7
255.19556	1.0
256.99704	44.3
257.99838	0.9
299.18585	1.6
347.25742	0.6
478.66544	0.8
479.15469	100.0
480.15756	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	477.262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59392	1.3
59.01367	1.6
61.98825	8.5
69.56145	2.6
69.56554	6.1
78.95900	100.0
92.88548	1.1
94.93893	1.5
96.96966	8.8
119.45667	1.4
121.82147	1.1
124.29408	1.3
152.99570	20.4
171.00623	27.6
215.52802	1.3
225.96834	1.2
279.23154	3.1
281.24838	3.2
293.24747	1.7
309.07648	1.7
478.29337	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	100.0
67.42673	0.2
70.52608	0.3
70.52946	0.4
98.20540	0.2
145.45905	0.2
200.09418	0.2
227.72450	0.2
255.23227	0.9
258.16537	0.2
414.30176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01141	1.3
59.01379	17.9
61.98829	2.5
68.99568	2.8
70.59695	3.8
71.01373	17.1
72.99311	1.5
73.02928	4.0
75.00854	1.7
78.95889	4.4
85.02931	2.1
89.02428	3.8
101.02450	6.5
112.73006	1.4
112.98573	3.0
113.02454	9.5
239.23814	3.1
255.23271	78.3
256.23602	4.5
267.23279	4.3
269.24817	100.0
270.25159	8.0
279.23236	9.9
297.24313	20.3
298.24847	1.9
303.75916	1.6
309.24185	2.9
313.23697	4.9
327.25415	3.5
351.25311	1.6
478.29285	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2337
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
51.50664	0.4
55.01880	1.0
57.03445	7.8
57.07553	0.4
58.00601	0.7
59.01376	8.2
61.98826	1.3
67.01897	1.3
68.99818	1.5
69.03452	6.1
69.29459	4.0
71.01377	11.0
71.05029	1.7
72.02177	1.2
72.99310	4.1
73.02950	3.4
75.00885	0.5
79.95742	0.4
80.30470	0.4
81.07096	0.6
83.01382	3.1
83.05029	2.2
85.02950	18.6
86.03288	0.5
87.00882	3.3
87.04508	2.9
88.94086	0.4
88.98826	0.6
89.02444	5.5
93.03484	0.5
95.01361	0.5
95.05064	0.7
96.96014	3.4
97.02943	6.3
97.06599	1.1
99.00871	7.0
99.04517	11.0
101.02450	2.2
101.06087	2.0
107.01393	1.2
107.05064	0.4
109.02946	1.4
109.06569	4.1
111.00870	2.0
111.08197	0.4
113.02431	1.9
113.06113	0.8
115.04016	3.8
120.01261	0.4
121.02975	1.2
121.10245	0.5
123.08218	1.2
125.06133	0.6
127.07661	0.9
129.01938	11.2
130.08754	1.5
131.03525	0.7
131.09094	0.5
133.03009	0.4
133.10287	0.4
135.08159	1.1
135.11819	1.9
137.09744	0.8
139.07639	0.8
141.01939	2.8
141.09204	2.7
149.04558	1.4
151.00339	5.0
153.09209	4.8
153.12831	0.4
155.10823	0.9
159.03011	1.5
163.00394	1.3
175.02612	0.4
178.99864	2.2
179.10805	0.6
191.05594	8.9
192.05943	0.4
192.85957	0.4
209.06670	4.1
211.03902	0.4
223.17072	0.6
229.04945	0.5
239.16496	2.3
241.18065	5.0
245.04384	0.5
255.02946	0.9
283.02664	0.6
285.17050	7.3
297.17209	0.7
301.03543	17.5
302.03992	1.1
394.12936	0.4
427.19946	2.0
462.91360	0.5
468.47305	0.4
477.23608	100.0
478.13992	0.5
478.24008	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	477.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59990	0.3
57.03440	1.5
59.01381	3.1
61.98822	0.9
68.95436	0.3
69.03459	0.6
71.01385	2.1
71.62772	0.3
72.99274	0.7
73.02947	0.9
74.02438	0.3
79.95729	0.9
83.86817	0.3
85.02950	1.7
87.04488	0.4
89.02444	0.8
93.03449	3.0
95.98215	0.3
96.96014	3.4
97.02972	0.3
99.00880	0.5
101.02452	1.3
106.04234	3.4
107.05066	0.3
108.02168	0.8
109.02972	1.3
113.02458	0.9
113.24952	0.3
119.03462	0.3
119.05019	0.8
119.55970	0.3
121.06590	3.4
123.04544	0.3
129.01955	0.5
131.05014	1.0
135.00906	0.4
135.04495	0.6
137.02377	0.4
138.03174	0.4
147.04518	2.5
147.08150	7.9
149.06068	14.3
150.06369	0.5
153.01923	2.1
154.08879	0.3
155.86739	0.3
161.02524	0.3
161.04514	0.4
163.07640	1.4
165.09196	0.5
173.09683	0.4
191.05612	0.5
193.05048	0.4
209.06509	0.3
221.52524	0.3
241.00206	0.9
267.13199	0.3
279.13873	0.4
285.17023	0.5
297.14725	0.5
299.01837	0.4
315.15973	100.0
316.16321	7.9
322.75211	0.3
415.18219	0.3
417.21045	0.7
477.14816	2.6
477.23480	5.1
478.24042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38074	0.4
53.32570	0.4
57.03437	1.6
59.01371	4.3
61.98821	2.8
64.98042	0.4
69.79002	1.0
69.79435	1.5
71.01381	4.4
72.99307	1.2
73.02940	0.7
75.00867	2.7
79.95731	20.0
80.96058	0.9
80.96513	13.0
83.01378	2.3
85.02947	3.1
87.00865	3.9
89.02447	0.8
94.43247	0.4
94.98082	1.7
95.01398	0.5
95.94288	0.4
95.95214	3.4
96.96004	65.5
99.00851	2.1
101.02445	2.0
103.00349	1.0
109.61589	0.4
111.00870	11.8
111.01643	0.7
111.92751	0.4
113.02444	2.3
115.00339	1.2
116.92876	0.7
120.96021	2.5
122.97608	0.4
127.00349	1.4
127.01193	0.4
129.01924	6.7
137.96280	0.5
138.97049	5.0
147.02994	0.5
150.97054	1.2
154.96553	1.2
159.02983	1.9
166.96510	0.8
177.04056	1.1
180.98151	0.5
182.95963	0.5
190.96657	0.6
192.98029	0.7
210.99120	2.2
238.98634	14.7
241.00215	9.9
256.99710	34.6
258.00003	0.5
477.17950	100.0
478.18222	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	477.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12198	0.6
54.96032	0.6
57.03436	1.4
59.01374	9.1
61.98819	1.0
64.95788	0.6
66.13039	0.6
68.79771	0.6
70.90076	1.7
71.01368	5.1
72.99323	3.4
73.02934	1.5
75.00870	6.3
79.95731	19.0
80.96507	12.1
83.01372	2.1
85.02937	4.5
87.00869	4.4
89.02425	0.8
92.35386	0.5
94.98080	1.8
95.01382	0.8
95.95250	2.8
96.96004	64.0
99.00890	3.0
101.02433	2.1
103.00350	1.2
111.00876	11.3
113.02475	2.8
115.00392	0.9
117.01954	3.3
120.95983	2.0
121.02951	1.6
122.03276	0.8
127.00339	1.5
129.01939	6.7
136.95479	0.6
138.97073	4.1
141.01915	0.8
150.97110	0.9
153.01929	1.4
154.96524	1.4
159.02939	2.2
161.02420	0.8
164.98651	0.6
166.96500	1.1
167.00148	0.8
177.04079	1.4
180.98021	0.9
187.19864	0.6
190.96658	0.8
192.98181	0.9
210.99179	1.4
232.20145	0.6
238.98636	17.1
239.03856	0.6
241.00212	8.6
256.99701	33.9
311.97379	0.6
315.04831	0.8
363.69388	0.7
396.21185	0.8
396.71683	1.1
417.22083	1.2
417.71997	0.9
440.84781	0.7
454.72449	1.0
477.17981	100.0
478.18243	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	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29728	0.6
59.01368	5.0
60.99303	12.9
61.98816	1.8
67.43618	0.7
68.97932	0.5
69.68501	2.7
71.01379	2.8
72.99298	2.3
73.02940	1.0
85.02952	1.7
88.98801	100.0
89.02424	5.3
90.99243	0.7
91.95867	0.5
96.96017	4.7
99.00890	0.5
101.02448	1.1
109.02950	0.7
113.02452	0.8
115.00406	0.8
129.01932	0.8
130.08713	0.7
134.03856	0.7
135.04497	1.0
150.03215	1.5
151.00351	0.7
152.01076	1.0
153.01915	0.7
165.05557	1.9
166.02661	1.7
181.05072	3.7
195.06587	1.0
209.06552	0.7
232.90842	0.6
241.94775	0.6
244.53380	0.6
252.07098	0.6
279.12195	0.7
339.90503	0.6
397.17838	0.9
408.14999	0.7
453.11356	0.6
477.19672	2.0
477.23746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.16
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
60.99304	13.3
62.10112	0.7
69.24574	0.6
71.01382	1.5
71.16842	0.9
71.17200	1.4
74.61401	0.6
87.00881	0.9
88.98800	100.0
89.02448	1.3
89.99159	0.8
96.96016	3.8
101.02441	0.7
111.00886	0.6
113.02477	1.0
120.99637	1.1
129.01884	0.8
135.04526	0.8
143.81721	0.7
158.13506	0.7
163.11276	1.4
193.05013	0.9
387.16550	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	477.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09857	0.6
56.15039	0.5
58.76836	0.6
59.01379	5.7
60.99301	13.7
61.98792	0.7
67.19881	0.6
69.56413	4.2
71.01380	2.2
72.99310	1.2
74.66562	0.6
75.00852	1.4
85.02919	1.7
88.98801	100.0
89.02448	1.9
95.26734	0.5
96.95988	2.5
101.02449	1.3
108.02185	2.1
109.02992	0.8
113.02476	0.9
152.01158	3.2
153.01958	1.0
166.02766	0.8
195.72391	0.7
207.10219	1.2
302.01044	0.8
387.16531	7.9
388.81299	0.7
451.14496	0.6
459.03326	0.6
477.12643	6.1
477.18704	1.0
478.11731	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
60.99305	13.6
61.98825	0.8
70.20320	1.9
71.01373	1.9
72.99308	0.9
75.00883	0.5
75.39883	0.4
79.95763	0.5
80.96532	0.4
83.01360	0.5
85.02943	1.0
87.00884	0.6
88.98802	100.0
89.02443	1.0
89.99161	0.7
96.96005	5.1
99.00823	0.6
100.78695	0.4
101.02431	0.9
108.02143	0.4
109.02919	0.5
113.02451	0.4
120.01231	1.0
129.10448	0.5
131.17448	0.4
134.03700	0.4
135.04503	1.1
137.02454	0.5
150.03284	0.7
153.01941	1.4
161.02495	1.0
165.05540	1.1
166.05855	0.6
181.04997	0.4
183.06783	0.5
191.05547	0.5
193.05051	0.8
209.06728	1.0
241.00389	0.5
274.54254	0.5
285.13339	0.5
299.53500	0.4
340.96234	0.4
387.16623	0.6
407.33408	0.5
433.17258	0.5
477.10144	1.2
477.14999	1.5
477.24182	0.9
478.23676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.161
Annotation	Scroside D
Peak:m/z	Relative Intensity
55.01890	0.7
57.03417	0.5
57.95870	0.4
58.00579	1.2
59.01376	28.1
61.98815	1.9
62.59159	0.4
70.60125	0.4
71.01376	19.3
71.62287	0.6
72.29699	0.4
72.99277	1.5
73.02921	0.9
74.99115	0.7
83.01372	1.4
85.02947	3.1
85.98754	0.5
87.00875	1.1
89.02435	21.4
95.01395	0.8
96.95993	4.2
96.96950	0.7
99.00847	0.5
101.02435	15.2
107.05077	0.5
108.02132	0.6
109.02943	1.1
113.02447	7.6
118.98071	2.3
119.03490	8.2
120.99634	2.1
123.04512	15.5
125.02419	1.0
127.21945	0.4
131.03461	0.9
135.04512	34.2
135.20345	0.5
136.04840	1.7
143.03513	0.6
149.04555	1.2
150.03319	1.0
153.01956	2.4
153.05559	19.9
154.05865	0.5
161.04558	0.8
163.04030	0.6
165.05618	1.1
179.05600	0.8
191.03906	0.4
191.05516	0.7
209.06622	0.9
234.22501	0.4
256.14737	0.5
293.08783	1.6
315.10818	100.0
316.11163	5.6
355.10349	0.9
477.16534	7.7
478.16095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01375	7.3
60.99305	14.7
66.18042	0.8
67.75713	0.8
71.01363	4.6
71.15524	0.8
71.62877	0.9
72.99325	2.1
78.95904	3.2
79.95744	1.8
83.01400	1.3
83.77667	0.8
85.02924	3.0
88.98801	100.0
89.02432	2.9
89.99149	1.2
96.96004	57.2
96.96907	5.0
99.00883	1.0
101.02441	2.5
113.02421	1.4
120.99580	0.9
128.03526	1.0
129.01933	2.1
145.71820	0.8
150.03119	1.1
152.01144	1.9
158.06078	2.0
159.06407	1.6
163.11317	1.0
170.12563	0.9
187.05919	1.1
191.05548	1.3
204.06639	6.6
205.07025	7.0
209.06740	1.3
346.05142	1.0
387.16541	6.4
397.13223	7.1
442.18488	1.1
477.08456	5.3
477.19568	2.7
478.08032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
56.98028	0.9
57.03450	0.7
57.20857	0.4
59.01375	9.8
61.98829	8.0
65.03958	4.2
67.01907	1.2
71.01379	8.6
72.99322	0.5
73.02935	2.7
73.66565	0.4
74.99097	5.4
83.01386	1.5
85.02950	6.0
87.00890	1.9
88.98784	2.5
89.02427	4.5
91.01887	1.2
95.01405	1.2
96.96002	5.2
97.02956	0.8
99.00870	1.3
101.02444	6.9
103.40815	0.4
108.02187	0.4
109.02949	40.1
110.03280	1.1
111.00861	0.8
113.02434	5.3
114.54131	0.4
118.98106	0.6
119.03523	1.1
119.05025	0.7
120.01244	0.5
120.99650	3.9
123.04522	4.6
125.02431	1.5
131.03477	0.8
135.00883	9.4
135.02538	0.4
135.04591	0.5
137.02448	0.5
141.00140	0.7
141.01979	0.6
143.03508	1.4
148.18047	0.4
151.03964	0.9
153.01929	100.0
153.05470	5.3
154.02266	2.9
161.04576	2.4
163.03964	1.3
175.04094	0.6
179.05539	0.8
195.06610	0.6
209.06647	1.3
221.06680	1.1
237.04346	2.5
240.57790	0.4
245.06702	1.2
263.07715	1.2
299.04382	2.4
323.09909	1.4
355.10233	1.2
477.12387	42.7
478.12573	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	477.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72311	0.5
57.03442	0.8
59.01387	6.9
61.98815	1.6
62.11102	0.7
70.73547	1.6
71.01376	7.8
72.99292	1.1
73.02927	1.1
75.00868	9.8
78.95895	1.6
83.01386	1.5
85.02945	6.1
87.00864	1.7
88.98856	0.7
89.02436	3.5
93.03467	0.7
95.01387	1.6
96.96007	7.8
96.96633	0.6
96.96936	1.3
99.00877	1.2
101.02442	4.2
108.02171	44.9
109.02954	14.3
111.37614	0.6
113.02451	4.8
118.98103	1.1
119.03498	0.8
119.05021	1.6
120.01247	1.1
120.99636	2.1
121.02922	1.1
123.00898	1.0
123.04517	2.4
129.01929	1.0
130.64688	0.6
134.03674	0.6
135.04504	1.6
137.02480	0.6
143.03537	0.7
151.04004	1.8
152.01141	82.5
153.01935	14.9
153.05560	3.8
154.02370	0.6
158.90002	0.6
160.01656	2.2
161.02034	1.5
161.04454	1.2
163.04001	4.9
164.07132	1.2
175.03986	5.1
176.04361	3.7
177.01906	0.9
179.03488	0.8
193.05006	1.3
194.05446	0.8
195.02892	0.5
209.06616	3.2
218.05420	0.6
297.06339	0.7
314.80322	0.5
315.07266	3.4
315.10754	1.1
355.10428	6.3
356.10675	4.1
357.11694	0.6
415.99374	0.7
477.12521	100.0
477.19720	9.0
478.12979	8.1
478.19415	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03439	0.6
59.01381	7.4
61.98811	0.9
69.03439	0.6
69.41121	1.7
69.41543	2.0
71.01382	7.2
72.99313	1.0
73.02947	1.4
78.95903	0.5
79.80146	0.4
81.03451	0.9
83.01377	0.9
85.02948	6.2
87.00893	0.9
89.02445	2.2
93.03466	1.0
95.01376	1.5
96.96021	2.5
97.02960	0.9
98.19923	1.1
99.00884	1.1
101.02440	5.1
105.10271	0.5
108.02171	46.1
109.02964	14.8
110.03295	0.6
111.00928	0.5
111.18959	0.5
113.02432	4.0
119.03477	0.8
119.05049	0.9
119.08149	0.5
120.99677	1.2
121.02967	2.0
122.29101	0.5
123.00893	0.8
123.04509	2.9
125.02461	0.9
129.01901	0.7
135.04509	0.8
138.50935	0.5
142.43849	0.5
143.03517	0.6
151.03993	2.1
152.01151	73.7
153.01942	17.6
153.05559	1.5
154.02327	0.5
161.04546	0.6
163.04039	1.8
164.07135	1.1
165.01970	2.5
175.03957	0.9
193.05064	0.8
195.02975	0.8
209.06689	2.3
236.21518	0.5
268.71170	0.5
315.07172	1.7
315.10931	1.4
355.10339	2.3
373.01398	0.5
421.48709	0.6
477.12448	100.0
478.12775	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	477.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38697	0.5
52.03337	0.6
52.50784	0.6
53.88934	0.6
55.01854	0.8
56.19804	0.6
57.03231	0.5
57.03449	6.2
59.01379	10.0
59.43141	0.6
59.68933	0.5
61.98813	3.2
66.93901	0.6
67.01892	0.7
68.99806	1.5
69.03452	2.1
70.49817	1.2
70.50170	1.6
71.01370	9.4
72.99299	3.6
73.02953	1.5
75.00861	1.1
80.82974	0.7
80.96580	0.6
81.19923	0.6
83.01385	2.7
84.02127	0.8
85.02950	21.1
86.03324	0.7
87.00866	6.8
87.04513	1.6
88.98852	0.5
89.02439	4.3
93.03438	0.6
96.96019	4.4
97.02944	4.7
98.20569	1.0
98.80357	0.5
99.00866	3.8
101.02435	2.4
108.02133	0.8
111.00871	2.9
113.02431	2.8
115.03982	2.1
117.03454	0.7
119.05015	33.3
120.99644	21.0
123.04507	1.7
124.01662	0.8
126.00671	0.5
129.01929	18.0
131.03433	0.7
135.04515	0.9
141.01921	2.7
145.03006	4.3
148.40901	0.7
149.04536	0.7
149.06009	0.6
149.72778	0.7
153.05542	1.6
159.03004	3.7
161.04541	0.8
163.03990	48.2
164.04318	1.6
165.54031	0.6
167.67143	0.6
176.72998	0.6
191.05597	7.4
203.06975	0.8
203.20995	0.6
209.06642	69.5
210.06940	1.5
226.76277	0.6
235.08228	0.8
271.02475	0.7
297.09753	0.8
299.01880	1.2
301.95306	0.6
323.41907	0.7
355.10300	100.0
356.10541	6.1
477.10626	10.9
477.16742	1.0
478.10724	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
63.02418	0.4
65.00334	0.4
69.03449	0.4
69.25450	2.8
69.45895	0.3
71.01379	1.2
79.95740	0.8
83.01368	0.7
85.02956	1.4
87.00851	0.3
88.52579	0.3
89.02492	0.4
96.96004	2.4
97.02953	0.4
99.00852	0.3
103.40102	0.3
107.01381	0.6
113.02433	0.9
125.02416	0.4
125.09685	0.4
129.01901	0.4
140.58310	0.3
146.26498	0.3
149.02473	0.4
150.03195	0.9
151.00359	3.2
153.01915	0.5
165.05504	0.7
166.02692	0.6
169.01463	0.4
171.04509	0.6
173.02422	0.4
175.03978	0.4
178.99799	0.5
181.04991	1.1
183.04488	0.4
187.04036	0.4
191.05573	0.4
192.59889	0.3
195.06651	0.4
197.02409	0.5
197.11771	0.5
199.03978	3.1
201.01924	1.6
203.03528	0.7
204.04237	0.5
205.05042	0.4
215.03490	3.2
225.01968	0.8
226.02713	0.8
227.03487	3.6
229.01666	0.4
241.00230	0.7
242.02171	9.6
243.02953	36.8
244.03378	2.4
255.02962	1.4
257.04532	11.6
258.05130	0.5
270.01657	9.9
271.02444	42.1
272.02924	2.4
285.04025	22.2
286.04770	7.6
287.05362	0.4
299.01950	7.9
300.02692	6.2
314.04294	49.6
315.04944	11.2
315.08746	0.4
316.05139	0.4
329.06677	0.5
357.06030	1.2
382.36206	0.3
476.22092	1.0
477.10303	100.0
477.22382	4.1
478.10593	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	477.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01380	5.4
65.00321	1.6
67.01899	0.7
68.99812	0.8
69.03452	2.0
69.75863	0.6
69.76189	3.2
71.01370	2.8
71.47502	0.5
72.99322	0.9
73.02933	0.9
80.58871	0.5
81.03435	1.1
81.73427	0.5
82.95415	4.6
83.01366	1.1
85.02934	4.3
87.00853	0.7
87.04503	0.8
88.98811	1.7
89.02437	1.3
93.03453	0.7
95.01347	0.9
96.95995	2.7
97.02908	1.5
98.20508	1.0
99.00880	1.0
99.04507	0.8
99.30843	0.5
99.39178	0.5
101.02412	0.9
107.01393	0.6
108.02168	6.6
109.02943	10.7
111.00858	8.8
113.02444	1.7
120.99286	0.6
121.02940	1.7
125.02452	0.6
125.99562	0.9
129.01917	1.8
130.08704	1.8
133.02940	9.1
134.03644	0.6
135.00882	1.7
135.04524	2.5
136.98831	2.2
137.02420	2.0
138.03165	0.6
139.00371	41.4
140.01173	9.0
141.01903	2.7
143.04979	0.5
149.02463	0.7
150.03206	1.1
151.00314	3.1
152.01189	4.5
153.01927	20.6
154.02301	0.7
155.03502	14.2
161.02425	11.7
163.00368	0.6
164.98262	10.2
165.05450	1.0
166.99701	0.7
173.64954	0.5
178.99893	2.8
179.03458	2.3
179.24261	0.4
181.01421	5.3
183.04581	1.3
185.52188	0.5
187.03995	0.9
189.99126	0.7
191.05524	1.3
193.04974	1.6
209.06604	1.3
211.04022	1.4
227.03511	4.1
255.02899	5.2
268.83423	0.5
281.00864	1.3
281.79193	0.5
285.04178	1.0
285.17004	1.3
297.17059	1.0
299.01944	28.9
300.02509	2.3
301.03510	9.3
302.06525	4.5
313.03564	2.9
314.04291	1.5
339.89063	0.6
353.88217	0.6
377.38245	0.5
441.17697	1.3
462.07883	3.7
477.10324	100.0
477.23886	10.4
478.10675	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	477.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98146	0.4
59.01380	4.1
61.98827	0.7
65.00332	2.6
69.03474	0.4
69.14133	0.4
69.36101	1.7
69.36530	2.0
70.83762	0.4
71.01391	1.2
72.99300	0.6
73.02967	0.5
74.73658	0.4
74.99088	1.1
77.22379	0.4
79.95741	0.5
83.01392	0.6
85.02960	1.2
88.98802	2.9
89.02451	0.9
96.95990	2.4
99.00867	0.7
99.04488	0.5
101.02432	0.9
108.02139	0.4
108.99379	0.4
110.00092	5.6
111.00127	0.9
111.00877	14.1
113.02432	0.5
123.04533	0.6
124.98761	0.5
128.03535	0.7
129.01944	0.5
132.78026	0.4
133.02942	1.1
134.03737	0.8
136.98822	4.7
137.99580	1.3
139.00365	24.9
140.01050	0.6
141.09175	0.5
149.02391	0.4
151.00285	0.6
152.01105	0.9
152.96706	0.4
153.01851	0.5
153.09207	0.5
158.03745	0.9
161.02431	1.8
161.04568	0.5
164.98305	1.1
165.99069	6.9
166.99809	1.9
172.05261	0.4
174.03201	0.7
183.04556	1.0
185.02460	0.4
191.05690	0.6
199.03969	2.7
200.04779	1.5
201.01924	2.5
201.05556	0.5
202.02666	0.7
202.04424	0.4
203.03455	0.9
204.04236	0.4
209.06662	0.8
211.04065	1.0
212.04721	0.4
213.01863	0.5
215.03462	1.0
216.04271	1.4
227.03426	1.6
228.04271	1.7
229.01361	1.3
229.05023	0.6
230.02124	0.7
232.03661	0.8
243.02953	0.7
244.03609	0.5
254.02296	0.4
255.03012	1.3
256.03760	0.9
271.02502	5.1
272.03018	0.6
282.01584	0.7
283.02460	0.8
285.17026	2.2
299.01968	4.0
300.02722	100.0
301.03387	15.4
314.04382	0.6
315.05075	62.4
316.05417	3.6
317.06772	0.5
393.74802	0.4
462.08008	1.4
463.09998	0.5
477.10315	45.1
477.24106	2.1
478.10693	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	477.0669
Annotation	Quercetin 4'-glucuronide
Peak:m/z	Relative Intensity
54.89869	0.4
57.03321	1.8
57.03626	0.8
59.01247	5.2
59.01585	2.1
61.98734	0.8
61.99025	0.5
63.02291	0.9
65.00192	2.3
65.00568	0.8
67.01777	0.4
68.99722	0.6
69.03323	2.4
69.03743	0.8
71.01241	7.3
71.01682	1.7
71.04927	0.7
71.20910	0.9
71.21257	0.7
72.02065	0.7
72.99177	1.7
73.02808	1.8
75.00764	0.9
79.95608	0.5
81.06339	0.4
82.25922	0.4
82.95299	0.7
83.01236	3.2
83.04923	0.7
85.02796	8.6
85.03362	1.4
85.37227	0.4
86.03143	0.4
87.00724	1.9
87.04413	0.8
88.98657	1.5
89.00548	0.4
89.02287	2.9
91.64262	0.4
93.03307	1.5
93.03821	0.5
95.01227	0.6
96.95855	3.4
96.96543	0.5
97.02780	2.1
97.06481	0.5
99.00721	3.8
99.04361	3.5
101.02279	2.1
101.05920	1.2
103.00243	0.6
107.01220	5.4
108.02092	1.0
109.02788	3.9
109.06418	1.8
110.81744	0.4
111.00700	1.9
113.02278	3.3
114.05534	0.5
114.89601	0.4
115.03841	1.5
115.04544	0.4
119.01166	0.5
121.02773	5.9
123.08002	0.5
125.02309	0.7
127.07522	0.5
128.03352	0.6
129.01913	4.2
130.08723	4.4
133.02794	0.6
135.00732	0.7
137.02348	0.5
137.05956	0.4
139.00203	1.3
139.03853	0.9
141.01758	1.5
141.09076	0.9
147.04504	0.4
148.05147	0.8
149.02266	1.1
149.04384	0.8
149.05565	0.4
151.00352	27.1
152.00917	0.8
153.01762	1.8
153.09015	1.8
155.03452	0.5
159.02827	0.8
159.04323	0.8
161.02267	1.6
163.00351	4.1
164.00977	0.5
169.01355	1.0
169.21101	0.4
172.09644	0.6
175.02321	1.0
175.03708	0.5
178.99852	12.9
179.10622	0.6
183.04350	1.4
187.03842	1.4
191.05551	4.0
193.01295	0.4
195.06570	0.5
201.05476	1.1
203.03297	0.5
209.06653	2.0
211.03928	2.6
213.01775	0.5
227.03337	1.8
228.04071	0.4
229.05005	2.4
239.03462	0.9
239.16328	0.9
240.99963	0.5
241.17888	1.4
245.04530	3.1
255.00906	0.4
255.02975	4.9
256.03595	0.8
257.04416	1.2
258.05170	0.5
266.02057	0.6
271.02414	0.7
273.03967	3.1
273.07483	1.1
279.12399	0.6
283.02408	2.3
285.17050	4.2
297.17084	0.6
299.01913	1.8
300.02737	0.9
301.03494	100.0
302.03809	4.9
310.31183	0.4
313.12735	0.7
314.13007	0.7
427.19711	0.7
476.19653	2.0
477.07269	12.7
477.23761	43.8
478.07205	1.1
478.24011	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	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27310	2.6
78.95898	14.2
87.16011	0.2
88.01040	0.2
96.96967	0.5
101.82215	0.2
113.24686	0.3
140.01181	2.1
140.33200	0.2
152.99596	2.5
167.17467	0.3
171.00587	1.7
195.17868	0.2
196.03772	1.3
214.04823	3.2
279.23254	100.0
280.23621	6.6
329.38046	0.2
476.27765	18.1
477.28149	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
62.96367	0.5
69.29949	4.1
69.30253	0.5
72.07655	0.4
78.84677	0.5
78.95899	81.6
89.56700	0.6
96.96954	5.3
98.94313	0.5
100.40317	0.4
119.18582	0.5
119.79077	0.5
122.00116	1.1
140.01166	6.7
152.99570	12.2
170.99210	0.9
171.00620	12.4
192.01860	0.6
196.02002	0.6
196.03783	10.8
202.05048	0.5
214.04837	3.0
279.23254	100.0
280.23615	6.5
300.98813	0.5
388.05481	0.5
388.35754	0.5
395.82947	0.5
402.24335	1.2
406.63354	0.6
411.00861	0.5
476.27774	76.7
477.28284	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	475.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98825	100.0
68.14635	0.2
70.20143	1.0
78.95919	0.3
94.07796	0.2
94.68910	0.2
112.84598	0.2
117.79323	0.2
130.75888	0.2
154.29535	0.2
277.21725	0.3
279.23367	0.4
294.43274	0.3
372.91580	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01199	1.0
57.03455	7.1
57.14333	0.8
59.01379	8.1
60.99307	7.0
67.01871	1.1
68.99799	2.4
69.03441	3.0
70.90871	1.9
71.01374	10.3
72.99306	7.9
73.02922	1.4
79.95727	3.8
83.01370	3.6
85.02944	19.3
87.00861	3.5
87.04498	1.8
88.98801	44.3
89.02417	2.3
96.96006	36.9
96.96944	2.2
97.02947	6.0
99.00867	7.8
101.02411	1.9
102.59841	1.0
111.00854	4.0
113.02415	2.6
115.03964	4.4
116.05055	11.1
128.05016	3.6
129.01936	22.4
130.06659	4.8
132.04541	1.2
137.02359	1.7
139.83521	1.0
141.01912	2.4
142.06609	9.5
144.04535	1.2
156.06834	0.9
158.06105	29.9
159.02922	2.3
159.06308	1.0
186.05608	10.4
191.05608	16.5
204.06630	100.0
205.06984	5.0
248.83661	1.0
270.02902	1.0
272.09503	1.1
325.09680	0.9
382.06128	1.3
387.16599	3.0
396.12939	91.6
397.13220	8.5
475.18182	1.3
476.08560	54.1
476.18781	3.7
477.08838	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	475.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14491	0.3
51.96617	0.3
59.01376	100.0
60.01718	0.9
62.42019	0.3
69.32312	3.1
71.01382	2.9
72.99314	0.4
73.02936	0.9
85.02954	0.9
87.00886	0.5
89.02443	3.7
96.96019	1.7
98.20693	0.6
101.02448	2.4
112.13846	0.3
113.02451	1.1
115.60910	0.4
119.03503	1.9
124.83865	0.3
143.03519	0.9
161.04550	1.0
179.05663	1.1
241.00302	0.4
295.19101	0.5
415.23697	0.9
472.10498	0.4
475.12378	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60804	0.4
54.08951	0.4
57.03434	0.6
58.00582	0.6
59.01375	100.0
60.01690	0.8
69.03452	0.5
71.01382	17.7
71.63332	0.7
72.99309	0.9
73.02941	3.3
75.00896	0.5
76.99252	0.5
79.95751	1.0
83.01391	1.2
83.80322	0.5
85.02945	5.5
87.00891	1.4
89.02439	14.3
95.01394	0.9
96.96004	3.3
97.02924	0.7
99.00884	1.9
101.02436	12.1
101.33433	0.5
113.02441	10.1
119.03494	7.4
131.03474	0.8
143.03519	2.1
149.04578	0.9
149.06035	0.8
149.09740	1.4
159.02954	0.9
161.04539	11.9
179.05580	3.8
184.77802	0.5
209.06628	0.5
241.00089	0.6
283.15692	0.7
313.03555	0.7
313.14386	1.0
385.22272	0.5
396.05634	0.6
409.11148	0.5
415.23349	13.1
416.23877	1.1
431.18951	0.6
475.16824	0.8
475.22000	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28241	0.8
52.88869	0.8
54.14005	0.9
55.01868	1.1
57.03441	6.5
59.01375	100.0
67.01877	1.3
68.99803	1.4
69.03445	6.9
71.01380	34.2
72.99297	4.6
73.02943	12.5
74.02471	2.6
74.75061	1.0
83.01373	5.0
83.05021	2.8
85.02947	24.0
87.00883	4.4
87.04510	5.5
89.02444	15.4
95.01395	4.2
95.04994	1.2
96.96019	3.9
97.02953	5.0
98.19799	1.5
98.95613	1.1
99.00873	4.7
99.04522	6.3
101.02442	16.0
111.00906	1.5
111.04505	9.1
113.02446	39.1
113.06080	1.8
115.04021	5.5
119.03500	4.5
120.01245	1.2
129.01936	12.8
129.05598	3.9
129.41663	0.9
130.08688	2.0
131.03543	1.5
137.55273	0.9
141.01944	1.9
143.03471	3.0
149.04514	1.6
151.11258	1.7
152.07152	2.6
154.08655	0.9
158.02454	1.2
159.03008	1.9
161.04562	9.9
179.05531	1.7
181.44102	1.0
190.05127	3.1
191.05585	11.5
193.04816	0.9
209.06596	6.4
209.11830	1.4
265.14447	3.0
271.19131	1.4
283.15436	12.2
291.10693	1.2
355.13034	6.0
371.20724	1.5
389.21732	1.8
415.23331	25.7
416.23837	1.7
433.24295	5.9
434.24673	1.2
445.21088	1.4
457.20541	7.5
458.21310	1.3
475.21979	54.2
476.21918	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01307	0.8
55.01861	1.3
57.03436	2.0
58.00593	1.3
59.01375	65.6
61.52885	0.8
61.98816	1.1
64.25735	0.9
69.26931	1.8
69.27336	6.5
71.01377	28.9
72.01726	0.9
72.99292	2.8
73.02942	7.0
78.04450	0.9
83.01365	2.5
85.02956	7.4
87.00880	2.0
88.98774	2.7
89.02438	41.0
95.01377	1.0
96.95988	2.4
97.02927	1.0
99.00867	9.2
99.04485	2.1
101.02438	19.5
104.05022	1.4
106.06592	1.9
111.00869	1.0
111.04466	1.3
113.02417	8.0
119.03479	3.3
125.02426	2.2
129.01923	1.8
130.08710	0.9
131.03458	5.4
134.03725	1.3
134.05176	1.6
134.06108	20.0
143.03531	1.6
148.02904	1.6
148.04033	25.9
149.04532	25.9
152.07156	1.0
158.64143	1.0
160.04031	10.8
161.04532	2.6
174.05592	5.4
176.46719	0.8
179.05594	1.0
191.05545	6.9
195.14030	0.9
209.06499	2.0
209.08200	1.3
221.06541	1.2
237.06738	1.3
251.07736	3.1
266.69534	1.0
267.11359	8.7
283.15439	2.9
295.10843	38.2
296.11127	2.1
389.17996	2.6
415.16098	18.8
415.21518	2.0
416.16260	2.1
431.19141	28.0
432.19250	2.3
447.17715	1.8
457.59958	1.0
475.17072	100.0
476.16873	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	475.218
Annotation	Loperamide
Peak:m/z	Relative Intensity
55.01880	0.7
57.03447	6.6
59.01374	3.9
61.98832	0.6
65.00336	0.4
67.01888	1.8
68.99824	2.1
69.03451	20.5
69.34949	3.3
71.01376	7.8
72.99306	4.2
73.02929	0.9
73.27573	0.4
81.07088	1.7
83.01388	3.0
83.05021	1.4
85.02946	20.6
87.00856	3.4
87.04527	2.2
89.02426	0.8
93.03485	0.8
95.05007	0.5
96.96011	1.4
97.02938	8.3
99.00872	6.4
101.02444	0.8
101.79294	0.5
109.06570	1.1
111.00867	2.5
113.02435	24.9
115.03998	4.1
116.92822	0.5
125.09714	5.8
129.01933	12.4
133.10225	0.7
136.05251	0.5
141.01930	3.0
141.12767	0.5
151.00365	1.0
151.07613	1.2
151.11272	5.8
159.02991	1.7
159.24986	0.5
169.08685	2.9
169.12361	1.4
173.04547	0.7
177.09157	0.6
191.05586	12.2
195.10263	0.9
209.06567	3.0
269.04422	0.7
277.65854	0.4
283.15472	15.1
284.15891	0.9
295.02533	0.9
306.09473	0.7
407.45999	0.5
425.18185	2.0
457.70541	0.5
475.08508	2.9
475.21780	100.0
476.22159	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	475.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39995	0.6
59.01373	6.1
60.99302	12.9
67.08530	0.7
71.01372	2.8
72.99293	1.5
73.02924	1.2
85.02946	2.9
87.00874	1.7
88.00370	0.8
88.98799	100.0
89.02432	7.1
89.99130	0.7
96.95996	4.6
99.00854	0.8
101.02435	1.5
109.02869	1.1
113.02452	2.6
121.02962	0.9
130.08731	8.5
149.06143	0.9
150.03188	1.1
157.57982	0.8
161.04546	0.7
165.05571	1.1
172.09804	1.3
209.06685	0.8
249.06123	1.6
267.07254	1.8
284.22015	0.6
313.11014	0.8
370.16595	0.8
388.17932	1.8
431.18021	1.3
475.14633	2.1
475.21320	7.6
476.21692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30807	0.6
57.03445	1.2
57.26943	0.6
59.01376	38.9
61.98819	1.8
69.08319	0.6
69.34202	3.8
69.34615	1.8
71.01368	4.9
72.99305	0.8
73.02939	0.7
75.00870	1.6
79.95706	0.6
85.02943	3.0
87.00883	0.8
88.98805	0.7
89.02436	3.3
89.04128	0.5
93.58735	0.6
96.95988	5.6
98.20686	0.9
101.02439	1.9
109.02994	0.8
113.02445	2.1
119.03488	0.9
125.02427	0.7
128.03502	1.1
129.01923	1.1
133.02922	1.1
135.04507	1.7
137.02431	1.5
142.06641	0.6
145.03003	1.0
146.03726	31.8
147.04367	0.8
149.06100	0.7
158.06061	1.9
161.02347	1.2
161.04585	1.7
161.06042	11.7
163.03961	1.0
164.04774	21.7
165.05354	1.0
167.01740	1.2
177.01935	3.8
178.02246	1.9
179.07120	100.0
180.07486	3.4
186.05612	1.3
191.05513	0.9
204.06638	9.6
233.11841	2.1
277.10709	1.8
297.13348	0.8
299.01862	0.7
306.84213	0.6
357.19867	0.7
396.12927	3.0
415.16113	1.4
457.18015	0.8
475.18680	4.9
476.08224	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	475.1635
Annotation	tryptoquialanol
Peak:m/z	Relative Intensity
59.01381	0.7
63.77881	0.4
64.96091	0.4
69.03458	0.6
69.60135	0.5
70.94011	0.6
70.94336	0.5
71.01361	1.8
72.99307	0.8
76.97013	0.5
79.95730	27.4
80.96506	7.0
85.02929	0.4
87.00869	1.3
88.01674	0.3
93.08199	0.4
93.47840	0.4
93.58626	0.4
95.95235	1.0
96.96003	48.4
97.02917	0.9
97.67397	0.4
99.04527	0.6
111.00856	1.4
118.60715	0.3
120.96010	0.9
122.97534	0.6
138.97032	3.5
150.97044	2.0
165.95909	0.6
165.97301	0.4
222.99133	1.8
235.16968	7.7
238.98651	2.6
251.16525	1.8
322.03659	0.6
338.03137	1.2
346.67645	0.4
399.15192	0.4
475.16376	100.0
476.16708	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	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58640	0.2
59.01366	1.6
61.98800	0.7
62.96406	0.3
64.56360	0.2
71.01376	0.5
78.95896	26.5
83.05017	0.3
85.16692	0.2
96.96973	0.3
98.19810	0.4
122.00105	1.4
127.07513	0.3
134.98526	0.3
140.01186	7.0
152.99582	2.7
162.83833	0.4
171.00598	0.7
196.03780	12.4
214.04842	3.0
233.22717	0.4
259.20660	0.7
262.87817	0.2
272.45670	0.2
275.19913	0.4
277.21683	100.0
278.22028	7.4
278.24625	0.2
278.25140	0.3
334.21655	0.2
340.92154	0.2
413.20654	0.2
418.75992	0.2
426.79510	0.2
471.17892	0.2
474.26212	36.4
475.26587	3.8
494.51294	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1241
Annotation	Swertisin 8-methyl ether
Peak:m/z	Relative Intensity
55.01868	0.6
57.03440	2.0
59.01373	12.6
63.86143	0.4
67.01895	0.5
68.99851	0.5
71.01376	12.8
72.99306	3.5
73.02949	1.0
75.00867	15.8
83.01386	0.9
85.02944	18.3
87.00873	5.8
89.02444	3.0
95.01375	5.2
96.96013	0.7
98.20737	1.0
99.00863	9.4
101.02463	0.6
103.00378	1.8
111.00883	0.7
113.02444	28.4
114.02846	0.6
115.00369	1.8
117.01929	3.2
121.02947	100.0
122.03271	2.0
126.76963	0.5
129.01962	2.3
131.03456	0.4
135.04463	0.4
157.01405	1.2
170.35962	0.5
175.02509	3.7
175.03877	0.7
189.05652	0.8
231.05051	1.3
266.44186	0.4
280.23065	0.5
296.09259	0.5
309.25479	0.5
335.07657	0.7
353.08755	12.0
354.08990	0.7
373.19867	0.5
396.21542	0.6
458.73605	0.4
475.12366	48.0
476.12708	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	474.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.2
61.67754	0.3
67.60571	0.4
71.61388	0.7
72.97019	0.3
77.13356	0.4
78.95899	38.6
86.14277	0.3
96.96977	2.4
100.07845	0.4
140.01198	2.7
152.99570	6.5
154.98637	0.5
171.00633	6.1
196.03795	1.2
214.04866	3.7
259.20523	0.7
275.20123	0.4
277.21692	100.0
278.22028	6.2
400.22733	1.0
474.26224	31.2
475.26578	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.327
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
54.20538	1.1
55.89925	1.0
58.24839	0.9
59.01373	1.6
61.98570	1.1
61.98830	16.5
69.03458	7.2
77.34465	1.2
78.95840	1.5
80.02652	1.7
99.19295	1.1
107.05007	3.9
109.06586	64.1
158.33951	1.0
175.03906	1.6
212.53809	1.2
279.23227	1.2
317.28561	2.7
341.28595	1.1
357.31622	33.3
358.32001	3.7
383.33014	1.4
385.34744	13.8
411.32715	10.6
429.33694	44.5
430.33844	4.5
473.32632	100.0
474.32968	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	474.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59413	0.3
59.01381	2.5
61.98872	0.4
65.70264	0.3
69.03431	0.9
69.40519	2.8
71.01366	1.8
72.99290	0.4
73.02932	0.6
79.95742	0.4
85.02934	0.9
87.00850	0.4
89.02433	0.6
96.95994	2.1
98.95572	0.7
101.02437	0.8
113.02436	1.9
113.51619	0.3
113.81028	0.3
119.04978	0.7
129.01920	0.9
130.97493	0.3
133.02968	0.6
133.05313	1.4
134.03735	3.4
135.04520	11.2
137.83113	0.3
147.04507	2.0
148.05289	36.4
149.06104	2.0
150.03203	1.3
160.01651	0.4
161.02409	0.7
162.05544	0.4
170.57516	0.3
175.04027	0.5
176.03497	4.0
177.04279	1.7
178.05077	25.3
179.05484	0.8
182.79189	0.3
190.05070	9.1
191.05559	0.9
192.06638	0.4
253.08708	1.0
264.34647	0.3
266.02246	1.0
276.65854	0.4
283.15506	2.6
294.01773	1.0
296.09381	0.7
297.10028	12.5
298.10522	1.5
312.12378	100.0
313.12747	7.7
381.43286	0.3
457.07413	0.4
474.16901	3.1
475.08627	1.6
475.21988	2.9
476.86069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.311
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73271	0.7
59.01354	1.2
63.30676	0.7
67.65058	0.7
75.95873	0.7
89.01608	0.8
103.54312	0.8
109.02944	0.9
130.08751	1.1
133.02904	2.7
134.03734	1.6
135.04521	2.1
139.99881	0.7
161.02380	2.5
175.03973	2.0
193.07004	0.9
229.12454	0.8
279.23260	100.0
280.23636	6.5
303.40997	0.8
369.31680	1.5
411.32639	14.0
412.32993	1.4
429.33713	23.2
430.33902	2.5
441.26462	1.6
473.27686	2.8
473.33221	19.2
474.32938	2.6
480.93384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2898
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
59.01366	2.8
61.98815	1.0
69.73335	5.5
98.20633	1.9
100.07661	0.9
105.03456	3.4
107.39438	0.9
127.14693	1.0
132.02151	7.5
132.36636	0.9
132.99594	1.4
133.02943	20.6
134.03748	14.1
135.04565	4.7
137.02408	4.6
139.03966	1.1
148.05272	4.0
149.06049	1.5
160.01646	46.2
161.02457	8.8
161.06049	4.1
172.59946	1.0
175.03993	100.0
176.04329	3.9
178.02646	2.6
179.03473	2.2
193.05002	7.7
233.08148	2.5
262.15359	1.0
297.24353	11.4
298.24454	1.0
329.17050	1.1
343.19043	2.3
373.27472	2.9
441.26343	5.7
473.28958	79.2
474.29437	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	473.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58952	0.7
58.81529	0.8
59.01375	27.8
61.98829	10.4
71.62866	1.2
90.16787	0.9
103.12299	0.8
123.04538	1.0
161.53143	0.9
279.23264	100.0
280.23596	5.8
282.39798	0.8
333.61407	0.9
426.71201	0.9
473.36111	3.5
474.36676	0.8
491.57788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98827	100.0
62.84775	0.5
69.55099	3.3
78.95921	0.9
95.05060	0.5
109.06581	5.9
148.04410	0.9
152.99556	0.6
173.02628	0.5
186.92262	0.5
191.66808	0.6
357.31689	3.1
385.34689	1.4
410.27475	3.8
411.27472	0.6
411.32605	1.0
429.33780	4.6
473.32559	9.4
474.33267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75241	0.5
58.80463	0.4
62.32995	0.4
66.76125	0.4
70.84853	0.8
70.85191	0.7
78.95903	0.9
100.16249	0.5
141.49487	0.5
169.05728	0.5
189.12842	1.1
205.15952	18.5
206.16228	0.6
229.95673	0.6
230.46484	0.6
281.24863	0.6
443.23688	0.7
457.25089	10.9
458.25592	1.3
473.28174	100.0
474.28574	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29373	0.3
59.01376	100.0
60.01712	0.9
61.98833	0.4
63.63473	0.3
69.31365	0.4
69.31627	0.7
69.32024	2.0
71.01368	1.6
71.73719	0.3
73.02944	1.6
79.95711	0.4
84.85747	0.4
85.02943	0.5
87.00907	0.3
89.02458	0.7
96.96000	4.7
98.20661	0.7
101.02460	1.3
111.40910	0.3
113.02435	0.9
122.87135	0.3
135.04558	0.8
149.04581	0.4
160.19357	0.4
161.04585	0.4
178.02654	0.4
179.03609	0.4
209.51430	0.3
224.99165	0.4
241.00217	0.5
246.72752	0.3
348.38525	0.3
369.11923	1.7
467.20761	0.3
473.16400	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56119	0.2
55.01880	1.3
57.03440	0.7
58.43113	0.3
59.01375	26.0
71.00986	0.5
71.01376	8.5
72.99310	0.6
73.02941	96.9
73.66629	0.3
74.03284	0.9
83.01385	0.9
85.02953	4.1
87.00903	0.5
89.02441	2.2
95.01385	0.5
96.95998	2.0
97.02952	0.5
98.41888	0.3
99.00880	1.1
101.02447	5.0
113.02435	4.2
119.03526	0.7
125.02396	0.3
129.01900	0.4
149.53671	0.2
159.02934	0.5
161.04507	2.2
174.92812	0.3
226.58063	0.3
241.00136	0.6
242.64413	0.2
251.16606	0.4
253.18031	3.8
269.17706	0.3
357.19144	1.4
406.24750	0.3
413.21741	1.0
420.26022	0.4
431.22803	3.4
432.23212	0.5
455.22839	0.9
473.23874	100.0
474.24203	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	473.203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
57.03423	2.0
58.00571	1.0
59.01377	33.4
61.98811	0.8
69.03432	1.6
71.01378	16.9
71.63385	0.6
72.99297	2.2
73.02945	5.6
75.00834	0.7
79.95717	2.1
80.96504	0.8
83.01374	2.8
85.02951	7.3
86.00092	0.6
87.00859	3.5
87.04531	0.6
89.02429	2.7
95.01359	1.0
96.96001	14.0
97.02925	0.9
98.95598	0.8
99.00872	2.4
101.02444	8.0
111.00920	0.6
113.02444	4.3
115.03986	0.5
119.03454	0.6
124.01669	1.1
125.02422	1.4
129.01938	0.9
130.08690	1.2
135.04517	0.8
143.03479	0.8
207.13802	1.0
209.06650	0.6
225.14935	11.4
241.00183	1.1
256.99622	0.6
343.33356	0.5
369.19144	12.2
371.09698	0.8
385.43381	0.6
387.20187	33.2
388.20621	3.2
425.48840	0.5
429.21219	100.0
430.21494	7.3
435.22330	0.8
472.68051	0.7
473.16101	2.5
473.20871	2.4
473.66858	1.5
474.26788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08921	0.9
52.35253	0.9
54.65867	1.0
59.01376	100.0
60.64655	1.0
61.98825	1.1
62.91581	0.9
71.62088	1.0
78.95900	49.0
94.73363	1.0
96.96943	4.8
101.18613	0.9
108.22016	1.0
122.64661	1.0
131.45676	0.9
144.36322	1.1
152.99596	8.6
171.00600	8.3
212.01515	0.9
270.25058	1.0
326.39438	1.0
400.22623	1.1
473.32639	4.1
474.26212	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01376	4.7
64.07106	0.3
67.34905	0.2
69.70915	1.6
71.01379	1.8
73.02950	0.9
78.95890	2.9
79.95729	3.5
81.04568	0.3
83.01364	0.4
84.72962	0.2
85.02947	0.9
89.02443	0.9
96.96003	100.0
96.96888	4.8
97.02953	0.4
101.02448	1.2
113.02451	0.8
114.93362	0.3
119.03545	0.3
134.03627	0.3
161.02441	0.6
161.04391	0.3
241.00319	0.4
256.99741	0.3
375.20163	3.3
395.26276	0.3
429.21332	0.6
472.67545	0.3
473.15643	0.5
473.24414	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15676	0.7
56.62514	0.7
59.01376	100.0
60.01697	1.1
61.98828	6.5
69.74342	2.9
71.01385	1.6
73.02959	1.5
79.95729	1.1
83.01401	1.1
84.95117	4.7
85.02957	1.6
96.96008	4.2
98.95617	2.0
101.02457	1.2
111.00887	0.9
128.03561	1.1
129.01944	1.0
129.10339	1.2
131.31247	0.7
134.03745	1.2
135.04529	2.4
137.02493	1.2
143.03473	0.7
149.02437	0.7
150.03267	1.3
152.01146	0.6
161.02477	2.3
164.04837	0.9
165.05611	2.2
166.08958	0.6
176.04852	0.8
177.20505	0.6
179.03514	2.5
190.96368	0.6
191.07085	0.7
193.05148	2.1
194.05859	1.9
198.07837	0.6
209.06580	1.1
209.08174	7.4
226.12071	1.3
245.01253	1.7
248.09402	1.1
257.99890	0.8
258.99713	0.8
267.07449	2.0
275.02350	0.8
317.84247	0.7
328.18521	0.9
387.16556	0.9
410.14554	1.5
429.18106	3.8
429.23215	0.8
430.18079	1.0
455.21759	0.8
473.07794	1.4
473.16046	6.7
473.22849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
59.01375	100.0
61.98808	1.1
69.03446	1.8
71.01379	18.3
71.63013	2.0
72.99342	1.2
73.02941	16.9
78.91882	2.2
80.85458	1.2
83.01369	5.1
83.05002	1.4
85.02950	4.0
87.00879	1.6
89.02442	9.6
96.96002	17.0
98.95574	3.5
101.02448	14.9
111.00874	1.3
113.02448	7.5
114.65916	0.9
119.03479	4.2
125.50225	0.9
133.05341	1.0
135.04512	3.4
138.01996	5.4
143.03552	1.1
148.05283	7.2
149.04436	1.2
149.06169	1.9
149.09677	1.3
161.04572	3.0
163.11284	12.7
176.03435	1.1
178.05072	5.0
183.86305	1.0
190.05074	1.9
204.72491	1.2
207.10275	2.4
215.81604	1.0
280.97086	1.0
297.10007	2.6
312.12375	25.8
369.15433	2.0
387.16641	10.2
393.21558	1.6
429.17615	81.9
430.17883	7.3
436.65158	1.1
473.16669	10.3
474.17459	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	473.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64576	1.0
56.23153	1.0
59.01378	60.8
63.49105	1.4
69.41720	1.1
69.58897	1.1
69.59167	2.3
69.59566	4.6
70.82594	1.2
71.01373	8.2
73.02940	15.9
80.71645	1.1
80.96466	1.0
83.01372	3.2
85.02927	1.3
89.02426	3.9
93.17307	1.1
101.02440	11.9
104.49986	1.2
109.46346	1.0
110.97330	1.1
113.02435	3.0
113.09510	1.1
115.64529	1.2
134.03700	1.5
161.02359	2.3
163.11252	4.6
164.93062	1.2
165.05533	2.7
207.10249	12.8
245.01257	2.1
270.02228	1.2
271.02435	1.3
275.02271	1.3
299.01993	1.7
314.04224	2.3
335.13986	1.2
369.15500	3.2
387.16531	7.4
429.17599	100.0
430.18021	7.8
473.12064	3.5
497.29062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
60.99298	1.4
61.98830	2.5
71.01376	1.0
71.62090	0.3
77.36801	0.3
78.95901	32.5
79.95733	2.8
85.02943	0.5
88.98803	7.6
89.02452	0.5
92.16473	0.3
96.96006	100.0
96.96950	58.7
99.90154	0.3
109.02966	0.7
111.00866	0.3
113.02437	0.7
135.04536	0.6
147.04475	0.4
149.06100	0.5
157.11212	0.3
161.06015	0.7
164.07117	0.8
165.05573	0.4
165.07451	0.4
177.05522	1.0
189.05577	4.8
207.06570	1.0
228.26205	0.5
231.13556	0.5
311.07672	0.9
473.14590	1.1
474.22144	0.4
485.21780	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
60.50754	0.3
61.98816	1.3
69.49480	2.1
69.49886	0.5
71.01381	1.5
78.95898	47.7
79.95737	2.9
82.26919	0.3
85.02953	1.1
86.39394	0.4
87.00876	0.5
88.98797	0.8
89.02467	0.6
90.89848	0.3
96.96008	100.0
96.96951	82.4
98.20692	0.5
98.95628	0.4
111.00821	0.4
113.02437	1.2
145.92993	0.4
151.06102	1.0
173.04535	0.6
189.05475	0.4
207.06592	0.4
236.15234	0.4
270.16315	0.3
473.15225	2.6
480.02115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.13872	0.2
61.98827	100.0
69.64783	0.2
70.17941	0.2
70.21629	0.2
71.01405	0.2
71.26199	0.4
71.26527	0.2
96.96005	1.7
104.77873	0.2
128.03552	0.4
135.04550	0.3
159.57265	0.2
160.01718	0.2
189.01852	0.3
208.06279	0.3
230.60500	0.2
252.56496	0.2
386.41394	0.2
454.04034	0.3
473.13409	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.00602	2.4
59.01378	48.1
60.93019	0.9
61.98837	6.7
71.01379	43.1
71.61922	1.0
72.99307	2.0
73.02950	4.1
74.25716	1.1
78.95905	3.9
85.02953	9.0
85.35208	0.9
87.00871	2.2
88.04042	0.9
89.02440	49.8
95.01405	3.2
96.96019	6.4
96.96951	3.6
97.02951	3.0
101.02438	22.9
104.47465	1.0
111.02022	1.3
113.01685	1.5
113.02448	23.4
114.02679	1.1
119.03496	18.2
128.03543	1.4
130.08736	50.5
131.03523	5.1
131.04469	0.9
131.09125	1.0
143.03510	3.5
149.04549	2.3
150.04253	1.5
161.04549	15.1
179.04082	2.0
179.05600	28.1
180.05983	1.2
186.43321	1.0
208.98914	1.0
209.98508	1.6
221.06618	4.8
272.09351	2.4
276.95074	1.0
310.08929	0.9
319.12772	3.4
319.32199	0.9
341.10861	100.0
342.11188	4.4
382.95792	0.9
472.14096	3.5
473.14783	2.1
478.51978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82346	1.3
55.01868	1.3
57.03459	2.6
59.01376	45.2
59.66931	1.2
61.98827	5.4
66.39230	1.1
68.99795	2.4
69.63711	2.5
69.64124	6.4
71.01379	22.3
72.99292	3.9
73.02943	9.1
75.00865	10.5
79.95732	21.2
80.96514	11.5
83.01389	3.7
84.95080	1.8
85.02952	21.7
87.00869	8.0
88.98804	2.0
89.02475	7.8
93.03448	3.1
95.01377	5.0
96.96005	11.3
98.20548	1.5
99.00863	9.5
101.02438	6.3
103.00340	2.3
111.38591	1.2
113.02451	17.9
115.00359	3.0
117.01958	1.7
119.03471	1.6
119.75503	1.3
121.02964	12.3
122.03744	6.7
123.00875	4.3
123.04453	2.2
125.02438	2.0
128.03529	2.4
129.01936	2.0
132.02129	1.6
133.02957	1.3
134.03688	1.4
135.04500	1.7
136.01704	1.3
137.02452	3.1
138.03233	3.5
147.04482	3.1
149.02443	41.2
150.03223	71.0
151.03754	2.2
153.05557	5.8
157.01343	1.3
160.01628	1.8
161.02432	2.2
161.04474	2.5
162.03165	2.6
163.11263	9.1
164.04787	27.9
165.05563	100.0
166.05919	4.0
166.99843	5.5
175.02489	1.5
175.03932	3.0
177.05493	3.9
179.07117	4.4
180.04308	6.2
182.02205	19.3
190.02678	3.1
191.03481	1.6
193.05026	1.7
195.06624	27.8
197.02844	1.2
197.04533	28.2
203.00162	2.0
205.05008	3.7
207.10182	3.2
208.03474	1.5
209.04596	2.0
209.06554	1.7
223.06088	19.4
231.05058	1.4
243.03090	1.7
245.01216	50.2
249.06129	18.3
259.02710	1.6
267.07190	57.0
268.07565	1.4
268.16531	1.3
271.02448	3.8
275.02301	19.9
297.09756	2.2
299.01971	2.4
300.02625	5.3
301.10956	1.5
314.04202	3.3
329.08743	2.0
345.09726	2.1
369.15469	2.3
383.13873	2.7
387.16678	3.0
393.11993	8.1
429.17654	34.1
430.17838	3.9
455.11624	1.6
473.07437	96.0
473.13089	45.2
473.62604	1.6
474.07779	9.0
474.13391	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	472.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97516	0.3
55.01867	0.4
57.03450	0.2
58.00583	0.5
59.01375	7.9
69.27661	2.1
69.28074	0.4
70.05548	0.2
71.01379	4.2
72.99299	0.3
73.02937	0.9
83.01384	0.7
85.02943	1.8
89.02438	2.3
95.01397	0.4
96.95989	0.3
98.20638	0.5
98.95515	0.3
101.02433	3.0
109.35496	0.2
113.02444	1.1
116.07168	100.0
117.07542	1.5
119.03540	0.4
214.83257	0.2
292.19153	1.4
310.20309	0.4
397.57672	0.3
472.25458	82.7
473.25839	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32135	0.3
57.03419	0.3
59.01360	1.3
61.98840	0.4
69.42243	2.4
78.50808	0.3
82.74311	0.3
303.20575	0.3
345.27316	0.3
409.31305	0.8
411.32724	5.6
412.32907	0.4
425.34232	0.7
445.72208	0.3
455.31561	0.9
471.34753	100.0
472.35077	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.7
61.98832	1.4
66.50684	0.6
69.00203	0.6
70.84635	0.7
70.84956	1.2
73.87634	0.6
88.48782	0.6
88.85300	0.7
102.36742	0.6
150.05620	0.7
154.93199	0.6
168.19991	0.5
193.65416	0.6
241.21825	0.8
273.67941	0.7
277.21719	1.1
282.25339	0.7
361.72983	0.6
453.33060	0.7
471.34851	100.0
472.35147	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	472.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
61.98826	100.0
67.14108	0.3
69.96724	1.1
69.97145	0.5
71.74513	0.3
72.68324	0.3
91.41280	0.3
96.79332	0.2
96.95998	0.9
124.50075	0.3
128.03569	0.4
135.04564	0.4
227.73976	0.3
251.51118	0.3
299.01529	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1589
Annotation	Raloxifene
Peak:m/z	Relative Intensity
59.01370	2.8
61.98829	70.3
62.79219	0.9
66.00957	0.9
67.02987	3.0
69.53062	6.3
71.01363	2.5
78.95914	1.9
82.41959	0.9
83.02503	1.4
85.02951	1.4
89.02428	2.0
91.80165	0.9
92.05065	13.2
94.04113	1.1
96.00889	1.0
96.96008	25.0
96.96946	2.1
102.05592	4.1
106.04108	4.2
109.04047	2.6
111.03150	1.4
113.02480	1.2
117.04548	1.3
120.04549	1.5
120.62910	0.9
120.66685	1.0
126.06731	5.2
128.03534	33.2
135.04507	3.3
135.05644	6.5
136.04004	6.4
136.51788	1.0
141.01773	1.1
146.04587	7.9
147.05638	4.2
148.04031	14.5
149.04663	2.7
149.05962	1.1
151.06261	2.3
163.06273	7.3
177.10303	6.4
178.07359	1.1
179.03394	1.1
187.08922	1.2
189.10320	4.4
204.11340	1.0
221.09270	10.2
233.09294	17.9
241.11847	1.1
275.11462	8.5
277.08185	1.0
295.97733	1.0
299.01794	1.2
300.11005	36.9
301.11279	2.6
327.97418	1.1
343.11154	9.5
360.16739	2.4
385.16190	13.0
404.15698	47.3
405.16028	3.8
411.14215	3.6
429.15189	11.6
454.14743	4.4
455.15082	1.3
472.15820	100.0
473.16245	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	471.3473
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
54.33981	0.1
59.01378	0.6
60.99310	1.5
61.98814	0.2
71.09356	0.3
83.05019	0.3
97.06626	0.1
97.59095	0.1
99.65057	0.1
101.42609	0.1
117.50658	0.1
282.20734	0.1
325.25381	1.0
351.26840	1.1
353.28552	1.4
369.27899	0.5
391.29523	0.2
405.31644	0.5
407.33218	4.1
408.33426	0.3
423.32748	0.5
425.34207	0.6
453.33771	1.7
454.33969	0.2
471.34738	100.0
472.35080	11.6
472.42148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3475
Annotation	3alpha,27-Dihydroxy-28,20beta-taraxastanolide
Peak:m/z	Relative Intensity
59.01379	2.8
61.98825	1.0
69.34192	5.5
70.43337	0.6
71.05032	1.0
96.95997	2.6
97.06589	5.1
97.25162	0.7
136.68321	0.9
154.88327	0.6
154.91939	0.9
161.72327	0.7
176.90166	0.9
191.45802	0.6
222.66354	0.7
277.21716	1.1
311.20648	2.0
375.27042	0.9
378.50430	0.6
389.28598	2.7
391.29926	6.2
392.30344	1.0
399.60812	0.7
405.31659	6.1
407.33167	13.1
408.33786	1.1
411.28900	0.7
423.29172	1.1
429.30161	2.4
437.30582	1.9
439.32410	1.5
441.33810	3.9
451.32114	14.5
452.32849	1.3
453.33722	74.1
454.34070	8.9
464.73996	0.7
471.34961	100.0
472.35217	12.2
497.32907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95760	0.9
59.01368	2.1
60.27435	0.8
69.03459	1.2
71.14041	0.9
79.15700	0.8
83.94261	0.9
93.60654	0.9
96.95985	0.9
108.08829	1.1
109.06601	1.0
130.08714	1.1
240.93718	1.0
277.21692	100.0
278.22113	6.5
427.32166	1.7
471.30215	1.8
471.34888	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	471.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.2
59.01366	4.7
61.98811	3.2
63.65154	1.2
67.01882	2.3
68.99807	2.3
69.03446	6.8
69.91082	4.3
69.91495	2.2
71.01370	11.5
72.99309	5.6
73.02946	1.6
83.01372	3.7
85.02948	28.9
85.83510	1.0
87.00877	7.0
87.04504	2.9
95.01377	1.0
95.04994	0.9
97.02950	12.3
99.00869	6.4
99.06679	1.0
111.00866	4.9
113.02419	3.4
115.04015	6.8
129.01927	16.2
134.03790	1.2
141.01927	4.7
159.02957	3.5
160.01636	2.6
175.04001	9.5
191.05573	17.7
196.27744	1.1
199.63251	1.1
209.06671	2.6
279.23245	100.0
280.23703	5.4
293.25000	1.6
295.22495	1.2
306.48102	1.1
323.13849	1.2
347.25806	3.7
360.12552	1.4
389.28717	1.2
403.43692	1.2
421.25928	1.4
471.29495	98.8
472.29816	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	471.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03439	2.2
59.01371	20.5
61.98825	70.7
69.25072	1.0
69.96548	4.5
69.96947	2.3
71.01377	27.1
73.02946	11.4
78.95892	2.6
79.95726	4.2
80.96486	5.7
83.01389	5.4
85.02945	13.4
87.00871	4.0
89.02448	10.7
95.01358	2.3
96.96004	34.0
98.95611	5.9
98.96445	1.1
99.00877	7.3
101.02441	26.4
101.03081	2.2
111.00865	4.0
113.02428	13.4
119.03465	1.8
119.05013	1.6
120.01237	6.6
123.04548	1.6
125.02402	2.1
127.05119	2.5
128.03532	2.9
129.01923	3.6
131.03519	2.0
135.04462	1.9
137.02434	1.5
138.97081	1.5
143.03473	1.3
149.04553	1.6
159.03000	3.1
160.04024	1.2
161.04552	12.5
165.01900	1.2
238.98608	5.8
241.00159	6.3
256.99719	15.2
258.14600	2.1
279.14456	19.8
284.88522	1.2
369.08432	1.8
411.18683	100.0
412.18951	6.8
471.11008	31.7
471.17053	10.4
472.11880	3.4
472.24240	3.4
477.33093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.56879	0.4
57.03453	1.6
59.01376	81.2
60.01697	0.5
61.22211	0.4
61.49967	0.5
65.79428	0.5
66.54079	0.4
69.03455	11.1
71.01378	13.6
71.05040	0.7
71.51175	0.5
72.99320	1.8
73.02940	12.0
75.00851	0.5
79.01891	0.4
79.95732	1.0
80.61524	0.4
80.96525	0.5
83.01379	3.7
83.05034	0.4
85.02943	12.9
85.06583	0.4
87.00886	1.2
89.02443	3.7
95.01413	0.7
96.96005	16.8
97.02975	0.6
98.95603	0.8
99.00893	1.5
99.04533	1.2
101.02440	10.4
103.03997	2.2
111.00918	0.5
113.02443	26.3
115.04053	0.5
119.03475	1.1
121.03011	0.7
125.02388	0.7
129.01956	0.9
131.03462	0.7
134.03761	1.7
135.04576	0.6
138.97050	0.4
143.03439	0.7
146.02161	0.9
159.03064	0.5
160.01756	0.4
161.04633	1.3
163.11227	0.5
175.04071	0.7
193.05061	2.3
207.17537	2.1
209.06664	0.5
233.15526	0.6
241.00285	1.1
249.14914	1.2
251.16481	9.9
251.18835	0.6
252.16945	0.7
267.16104	1.9
353.08698	0.5
367.10434	1.5
411.20300	4.1
412.20657	0.4
429.21237	10.1
430.21722	0.7
453.21136	0.9
471.22571	100.0
472.22815	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	471.205
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60190	0.4
51.65419	0.4
56.30685	0.4
59.01227	2.1
59.01565	1.4
61.98711	0.5
70.09695	0.9
70.10086	1.5
70.87368	0.4
71.01218	1.2
73.02818	0.7
73.03185	0.4
73.21488	0.4
79.95580	1.0
80.96380	0.8
85.02829	0.7
87.00702	1.3
87.01192	0.5
95.95080	0.4
96.95809	14.9
96.96516	2.8
97.73122	0.5
98.95412	1.6
98.96059	0.7
101.02280	0.8
102.54127	0.4
103.03802	1.7
108.92011	0.4
113.02213	0.5
129.01758	0.5
129.99591	0.5
132.47751	0.5
134.03503	1.7
135.04355	0.5
138.96863	0.8
141.01663	0.6
149.05920	0.6
160.01506	0.5
175.03824	0.8
193.04758	1.7
241.00194	2.3
256.99619	0.7
259.27765	0.4
273.18408	0.5
285.18567	1.1
331.19150	0.5
342.13498	0.5
349.20187	4.3
365.17865	0.8
367.10312	1.7
381.17352	2.8
383.18915	70.3
384.19250	5.8
470.64615	0.5
471.20432	100.0
471.63504	0.6
472.20767	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17625	0.6
57.03425	1.1
58.44580	0.7
59.01377	35.8
61.98820	1.9
66.95078	0.6
69.03442	0.8
71.01382	9.8
71.58060	0.8
72.35747	0.7
72.99300	1.0
73.02930	1.8
79.95734	5.9
80.96510	2.7
83.01379	1.4
85.02957	4.8
87.00874	2.6
89.02445	7.5
93.03458	2.5
95.95235	2.2
96.96004	100.0
98.95584	2.6
99.00870	0.7
101.02435	8.3
103.04014	1.0
109.02954	1.6
113.02437	5.1
117.05603	1.7
119.03490	3.1
122.97569	1.4
129.01924	1.9
133.05070	3.5
134.03719	7.0
135.04535	1.3
137.02428	5.4
138.97087	3.0
143.03528	1.3
149.06084	0.8
150.97043	2.0
153.01909	1.0
160.01636	1.7
161.04532	0.8
175.03967	1.3
180.98137	1.3
191.05615	1.6
193.05032	4.7
205.12453	0.9
209.06660	2.0
241.00185	3.9
251.07761	0.8
256.99554	1.1
257.33786	0.7
353.08923	0.9
367.10406	1.9
373.18475	1.6
385.11325	1.2
391.19748	13.4
409.15405	3.0
411.13135	5.7
435.22244	2.6
443.23737	0.8
471.15033	37.2
471.19052	66.1
472.15451	4.2
472.19678	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03427	1.6
59.01371	11.9
60.86924	1.0
61.98813	1.9
68.99813	2.4
69.03440	3.1
69.29920	1.7
69.30325	9.1
71.01371	7.3
72.99300	2.7
73.02940	56.6
75.00854	1.0
79.95741	5.8
80.96494	3.3
83.01361	1.2
85.02947	4.5
87.00874	7.1
89.02463	2.7
89.03941	1.7
89.82543	1.1
96.96002	44.2
97.02944	5.0
98.95585	2.4
99.00861	3.1
101.02439	4.3
103.04002	83.4
104.04378	1.5
111.00901	2.4
113.02425	3.1
117.03445	3.5
123.04540	1.2
129.01904	4.5
130.08717	1.7
131.03552	1.2
132.02139	6.1
133.02931	4.3
134.03731	82.0
135.02957	1.2
135.04083	2.5
138.97081	1.7
141.01892	3.8
144.40788	1.2
148.05301	1.8
149.06075	20.5
159.02951	3.0
160.01649	38.3
161.02333	1.9
173.04546	2.7
175.03975	46.4
176.04482	2.7
177.01849	1.6
178.02658	3.4
191.05582	9.5
191.07161	2.3
193.05037	75.2
194.05362	2.7
209.06615	2.6
217.08647	3.7
229.14467	1.2
233.08199	7.2
235.06062	4.3
241.00221	4.6
247.06064	2.8
261.07538	3.3
275.05548	2.7
291.08777	1.5
295.10260	4.6
335.07693	8.3
367.10281	100.0
368.10687	6.5
385.11389	5.0
391.19608	6.1
411.12732	1.2
471.15250	26.8
471.18808	22.7
472.15607	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	471.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03427	1.6
59.01371	11.9
60.86924	1.0
61.98813	1.9
68.99813	2.4
69.03440	3.1
69.29920	1.7
69.30325	9.1
71.01371	7.3
72.99300	2.7
73.02940	56.6
75.00854	1.0
79.95741	5.8
80.96494	3.3
83.01361	1.2
85.02947	4.5
87.00874	7.1
89.02463	2.7
89.03941	1.7
89.82543	1.1
96.96002	44.2
97.02944	5.0
98.95585	2.4
99.00861	3.1
101.02439	4.3
103.04002	83.4
104.04378	1.5
111.00901	2.4
113.02425	3.1
117.03445	3.5
123.04540	1.2
129.01904	4.5
130.08717	1.7
131.03552	1.2
132.02139	6.1
133.02931	4.3
134.03731	82.0
135.02957	1.2
135.04083	2.5
138.97081	1.7
141.01892	3.8
144.40788	1.2
148.05301	1.8
149.06075	20.5
159.02951	3.0
160.01649	38.3
161.02333	1.9
173.04546	2.7
175.03975	46.4
176.04482	2.7
177.01849	1.6
178.02658	3.4
191.05582	9.5
191.07161	2.3
193.05037	75.2
194.05362	2.7
209.06615	2.6
217.08647	3.7
229.14467	1.2
233.08199	7.2
235.06062	4.3
241.00221	4.6
247.06064	2.8
261.07538	3.3
275.05548	2.7
291.08777	1.5
295.10260	4.6
335.07693	8.3
367.10281	100.0
368.10687	6.5
385.11389	5.0
391.19608	6.1
411.12732	1.2
471.15250	26.8
471.18808	22.7
472.15607	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	471.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41235	1.6
57.03442	2.9
59.01382	14.1
60.48824	1.9
61.98820	2.9
68.99825	1.7
69.03460	6.7
69.66498	1.7
71.01370	9.8
72.99277	1.8
73.02943	65.8
79.95738	5.7
81.95336	2.3
83.01388	3.6
85.02950	13.4
87.00887	10.0
89.02446	3.1
93.03458	5.5
96.96005	46.3
97.02956	5.8
98.95609	6.4
99.00871	5.9
101.02409	4.0
103.04011	93.7
111.00895	3.9
113.02439	3.3
115.03981	2.3
117.03459	4.5
123.04522	4.3
128.03502	3.5
129.01959	11.4
132.02148	5.5
133.02989	2.3
134.03731	97.0
135.04068	2.2
137.02426	9.8
137.06088	2.1
138.97021	2.5
139.07602	2.9
141.01917	7.0
149.06064	26.7
159.02934	4.7
160.01649	42.0
161.02010	2.2
173.04613	3.8
175.03987	49.6
176.04518	1.8
178.02702	4.7
179.03609	1.7
191.05630	14.8
191.07127	3.0
193.05045	86.9
194.05484	2.7
197.58238	1.8
202.06401	2.7
209.06573	2.9
217.08748	3.5
233.08195	7.0
235.06116	4.2
241.00198	4.7
247.06039	2.8
261.07587	4.4
275.05646	3.4
295.10229	5.8
335.07617	8.8
367.10297	100.0
368.10580	9.3
385.11429	8.1
471.19009	65.5
472.19183	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	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17146	0.9
55.01863	1.1
56.86045	1.2
57.03447	2.6
59.01374	29.8
61.98825	1.9
68.99818	1.3
69.03454	7.0
71.01379	10.4
71.63515	1.3
72.99302	5.4
73.02941	66.6
75.00844	1.3
79.01855	2.1
79.95731	2.4
80.96524	1.9
83.01365	2.3
85.02947	10.8
87.00883	7.2
87.04505	1.3
89.02455	2.9
95.01394	1.1
96.96001	47.8
97.02927	5.0
98.95599	2.7
99.00912	2.3
99.04515	3.4
101.01888	1.2
101.02414	6.7
103.03999	100.0
104.04395	1.1
111.00910	3.1
111.04517	1.1
113.02456	4.1
117.03480	3.8
121.02953	1.4
123.00896	1.1
123.04523	1.5
128.73682	0.9
129.01924	5.3
130.08731	1.3
132.02179	3.4
133.02943	2.3
134.03726	76.2
135.04344	1.4
136.01575	0.9
137.02493	1.3
138.97064	2.4
140.95239	0.9
141.01941	2.8
149.06067	15.4
155.03499	5.1
159.02972	3.1
160.01628	26.5
161.02200	1.8
161.04491	1.1
173.04581	9.5
175.03986	33.9
175.05473	2.1
176.04623	2.0
178.02771	4.0
179.03607	1.3
191.05606	14.9
191.07132	1.7
192.04271	1.2
193.05028	79.6
194.05406	2.4
198.65334	1.0
203.07225	1.2
205.12352	4.4
207.06673	2.3
209.06697	3.1
217.08737	2.4
233.08229	4.6
235.06183	4.1
241.00374	4.9
249.11278	4.8
261.07745	3.0
275.05658	3.2
291.08798	2.5
295.10300	8.1
297.54617	1.2
335.07724	4.7
342.13605	1.4
367.10281	91.6
368.10632	6.3
385.11325	5.2
453.21338	1.2
471.19113	54.0
472.19885	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	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58094	0.8
52.99604	0.9
55.01858	1.4
57.03424	1.8
59.01378	6.5
59.94018	0.8
66.23310	0.7
67.01891	0.7
68.99807	1.6
69.03457	5.3
71.01379	6.5
72.99296	5.8
73.02943	64.6
74.03280	0.9
79.01890	3.3
79.95738	1.0
80.96516	1.1
83.01390	1.5
83.73415	0.7
85.02935	7.7
87.00859	5.0
87.04483	1.0
89.03973	1.4
91.43637	0.8
96.96005	15.2
97.02935	5.0
98.19827	1.6
98.95621	1.3
99.00879	1.9
103.04003	100.0
104.04346	1.4
108.02161	0.9
111.00877	2.3
111.04508	1.4
113.02422	1.9
115.03983	1.0
117.03473	5.1
123.04516	1.1
124.56010	0.9
129.01947	4.0
130.08731	5.1
132.02179	4.3
133.02948	2.4
134.03732	77.4
135.02974	3.8
135.04117	2.8
137.02477	1.7
141.01904	2.3
144.29036	0.7
147.04427	0.9
149.06065	14.5
155.03513	4.9
159.02983	1.6
160.01643	24.3
161.02354	1.9
173.04526	10.4
175.03983	33.4
176.04597	3.1
178.02675	3.2
179.03514	1.7
191.05586	14.1
191.07085	1.3
193.05038	78.3
194.05338	2.5
198.38945	0.9
209.06618	2.8
217.08575	3.6
220.66078	0.8
233.08139	3.9
235.06055	5.5
241.00197	1.5
245.08102	0.9
247.06128	1.4
261.07675	3.6
263.09290	0.9
275.05527	2.8
291.08667	1.3
295.10275	7.6
335.07693	6.4
354.19235	1.3
358.80591	0.9
367.10287	90.8
368.10590	6.2
383.18900	2.2
385.11304	4.3
471.14465	7.7
471.19189	11.7
472.21439	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3317
Annotation	Lantic acid
Peak:m/z	Relative Intensity
57.03455	0.3
57.53335	0.2
59.01369	0.4
61.98822	1.0
66.47082	0.2
69.28056	2.2
71.11654	0.2
75.00845	0.4
87.17877	0.2
90.14761	0.2
103.15629	0.2
150.05600	1.0
172.88078	0.3
241.21681	1.5
282.25153	0.4
285.09268	0.3
289.21814	0.4
295.22760	0.7
351.26724	0.4
393.27783	1.7
407.29495	2.4
409.19022	0.4
409.31055	1.7
421.31027	0.4
423.32651	47.3
424.33005	5.8
425.34354	1.1
469.33173	100.0
470.33508	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	470.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	6.2
59.01370	4.9
61.98823	2.9
67.01905	1.6
68.99812	2.1
69.03449	3.8
69.25421	7.2
71.01376	9.1
72.99298	5.7
73.02938	1.8
78.89413	0.7
79.95728	4.1
80.96525	1.1
81.95296	1.0
83.01379	3.4
85.02435	1.3
85.02944	21.6
87.00858	5.7
87.04510	1.5
89.02444	2.1
96.96002	24.9
97.02952	6.6
97.95935	1.2
98.20634	1.7
98.95578	5.7
99.00863	4.5
101.02443	2.5
102.05595	4.7
109.06589	1.3
111.00867	3.7
113.02444	3.2
115.04010	3.3
119.03486	0.7
128.03532	3.9
129.01936	14.7
134.03725	43.7
134.36542	0.8
135.04532	7.1
138.97124	1.2
141.01930	4.6
149.06067	33.8
150.06458	1.4
159.02953	2.8
160.01663	4.6
161.02432	1.7
167.52383	0.8
175.03986	10.0
191.05602	13.1
209.06657	7.1
210.12212	0.9
241.00279	2.6
242.00650	0.9
246.07843	1.2
258.28879	1.0
260.09235	5.0
264.08832	3.3
278.10291	28.5
279.10626	1.6
287.90881	0.7
289.42551	0.8
294.11908	6.8
298.06436	0.7
420.12888	0.8
470.16873	100.0
471.16440	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	471.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23249	0.3
50.47136	0.3
55.01865	1.2
57.03452	3.0
58.00580	0.4
59.01093	0.5
59.01375	7.3
67.01887	1.6
68.99809	1.5
69.03455	1.2
70.60130	1.1
71.01376	54.7
72.01712	0.4
72.99302	11.0
73.02942	5.1
74.51173	0.4
75.00867	0.9
78.95913	1.5
80.93687	0.3
81.03448	0.7
83.01374	4.2
84.02155	0.4
85.02943	29.4
86.00099	0.8
86.03270	0.4
87.00871	9.4
89.01587	0.3
89.02434	3.3
90.47795	0.3
95.01378	3.7
96.96011	3.5
97.02933	2.4
99.00844	2.5
100.01657	0.5
101.02441	4.3
103.03985	0.9
109.02935	0.9
111.00867	4.0
112.01660	0.5
113.02441	35.3
114.02796	1.0
115.00365	1.0
115.03992	0.7
125.02467	0.6
128.03595	0.3
129.01942	1.4
131.03511	4.6
133.01405	1.3
139.00343	2.1
143.03468	0.4
145.05087	0.4
157.01364	2.1
163.06088	0.5
173.04541	6.9
175.02499	0.9
189.04028	1.4
191.05547	0.5
198.90535	0.6
201.04012	7.3
203.05644	0.8
205.07147	1.0
215.05617	0.5
233.02957	0.4
233.06653	1.4
245.06604	3.1
249.06122	2.6
278.87149	0.4
289.05814	0.5
305.08713	0.9
316.82077	1.4
317.08755	3.9
321.08203	6.4
322.08694	0.4
336.86087	1.4
339.09238	6.9
354.86389	0.5
361.07724	1.4
375.09067	0.8
379.08826	0.7
381.10394	3.6
392.78351	1.0
392.88983	0.9
393.10287	6.8
394.10779	0.5
411.11395	16.1
412.11798	1.1
438.80283	0.4
439.10703	0.8
452.81436	0.4
471.13483	100.0
472.13837	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	469.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.2
69.47950	1.2
69.48377	1.5
71.01374	3.5
72.99297	0.5
73.02946	1.8
79.95734	7.1
80.75308	0.3
80.96509	4.2
81.95303	0.7
82.95394	0.8
83.01362	0.9
85.02962	1.0
87.00864	1.6
88.98808	0.7
89.02451	1.0
95.01415	0.4
95.95242	1.4
96.96001	55.3
98.95582	5.7
98.96442	0.6
99.00867	0.4
101.02432	3.7
110.31434	0.3
113.00516	0.3
113.02454	2.2
113.04874	0.3
120.99648	0.6
122.97633	0.7
137.96278	0.8
138.97054	4.5
139.89990	0.3
150.97055	1.3
163.03983	0.5
166.96478	0.5
177.03928	0.5
180.98099	0.4
182.85101	0.3
241.00194	14.0
242.00511	0.6
242.99870	1.0
245.09296	0.5
256.99753	1.4
425.14902	4.7
434.14081	0.4
469.17447	100.0
470.17770	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	469.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.4
59.01346	7.0
61.98801	5.2
62.94201	1.7
67.01870	3.4
68.70414	1.8
68.99790	4.7
69.03456	8.2
71.01379	11.1
71.10103	1.9
72.99297	12.2
75.00835	1.9
77.04661	1.7
77.10175	1.6
78.95880	4.8
83.01373	4.9
85.02945	39.0
87.00860	9.9
87.04459	2.7
97.02934	19.2
99.00850	6.1
103.13673	1.6
111.00822	3.8
113.02421	3.0
115.04017	8.6
115.04664	1.7
129.01938	23.9
141.01869	8.1
152.99597	9.2
158.69681	2.3
159.02908	5.2
173.04486	2.1
173.11731	6.0
191.05620	20.1
209.06592	2.0
230.23030	2.3
241.21713	8.4
277.21692	100.0
278.21906	6.3
295.22714	4.2
313.23724	6.6
337.17993	3.0
345.24335	3.9
419.24579	2.0
423.31638	10.3
469.27646	98.4
469.33304	23.6
470.28159	10.7
470.33710	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	469.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.4
59.01377	7.8
60.01704	0.4
61.76402	0.3
61.98825	2.2
66.68892	0.3
66.90884	0.3
69.67326	1.3
69.67728	0.5
71.01373	3.3
72.99288	0.5
73.02943	0.9
78.26175	0.4
78.95895	0.7
79.95728	5.0
80.96517	1.7
81.95302	0.5
82.95404	0.5
83.01393	0.7
85.02927	0.8
87.00880	0.6
89.02436	2.3
95.95232	3.9
96.96004	68.0
97.10936	0.3
97.95948	0.5
98.95583	5.8
98.96390	0.8
99.00845	0.5
101.02438	3.1
101.43074	0.3
107.66825	0.3
110.97578	0.6
113.02444	1.4
119.03503	0.4
120.99647	1.3
122.63841	0.4
122.97564	1.0
129.01927	0.5
134.06007	0.4
135.04543	0.7
136.04785	0.4
137.02412	0.7
137.40492	0.4
138.97086	2.5
143.03458	0.3
149.04524	0.7
150.97069	1.4
152.98590	0.5
163.11308	1.5
164.98650	0.7
165.01907	3.9
177.04085	0.8
179.03578	1.1
180.04259	2.9
180.98163	0.7
181.05038	0.4
195.06612	5.4
198.99187	0.8
204.69836	0.3
207.10255	0.4
209.11880	0.7
225.00790	0.6
225.07610	2.0
225.11371	0.4
241.00223	5.3
242.00714	0.3
243.00018	0.8
256.99631	1.9
258.90259	0.4
268.90836	0.3
307.06689	0.7
361.13269	0.4
387.08313	0.3
387.16705	1.6
389.17813	2.3
390.41357	0.4
405.85947	0.3
421.15015	0.4
437.15012	0.7
439.05438	0.6
453.06912	0.5
469.12216	7.8
469.17679	100.0
470.12134	0.5
470.17969	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	469.332
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.94791	0.2
59.01359	0.4
60.99305	1.7
61.98809	0.6
64.59319	0.2
69.27898	0.2
71.62573	0.3
71.62943	0.2
72.99287	0.2
78.95907	0.4
83.05019	0.3
85.06600	0.2
97.06592	0.2
122.85893	0.2
129.14662	0.2
137.09634	0.5
142.71738	0.2
149.09654	0.2
152.99565	0.8
241.21643	2.1
266.14651	0.2
269.91095	0.2
311.16779	0.5
325.25363	1.7
351.26883	3.3
352.27231	0.3
367.26251	0.4
375.26590	0.3
383.26157	0.3
389.28400	0.3
391.30051	0.3
405.31577	0.8
407.33218	6.1
408.33499	0.7
421.31067	0.6
423.32568	0.7
451.32227	1.6
469.33167	100.0
470.33502	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.6
61.03956	0.2
61.98816	0.3
69.53059	0.8
69.53486	1.0
71.01370	1.0
74.39708	0.2
76.78502	0.3
79.95733	3.1
80.96520	1.0
85.02968	0.4
87.00826	0.4
89.02431	0.4
95.95215	1.9
96.15971	0.3
96.96003	47.1
98.20535	0.5
98.95579	0.6
101.02424	0.8
109.02914	0.3
122.97555	0.5
137.02475	0.4
138.97083	1.9
150.97078	1.1
152.01129	0.5
152.39990	0.2
164.98671	0.4
177.04056	0.4
177.24532	0.3
180.98148	0.5
198.99124	0.9
212.67575	0.2
241.00194	3.6
256.99722	0.5
259.01163	0.4
451.16394	0.3
469.17453	100.0
470.17731	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	469.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.4
61.98794	0.5
69.54481	1.1
69.54909	1.7
71.01378	4.8
72.99283	0.5
73.02939	3.7
75.00865	1.3
79.95727	3.6
80.96513	1.4
81.95303	0.6
82.95388	0.7
83.01392	1.0
85.02947	0.9
87.00853	1.0
89.02451	2.6
95.95204	2.3
96.96005	54.7
98.95580	4.7
98.96434	0.8
101.02435	4.6
113.02446	1.6
119.03492	0.8
120.03747	0.4
122.97591	0.8
129.00455	0.4
138.97081	2.5
143.03499	0.5
150.97050	1.1
164.98799	0.6
177.03973	0.7
180.98137	0.9
198.99139	1.3
225.00726	0.6
241.00179	4.4
242.99997	0.6
243.04790	0.9
245.09360	0.9
256.99774	1.0
259.01468	0.6
295.11945	0.4
373.14264	0.4
375.15982	0.4
383.14178	0.8
383.18945	0.6
411.12265	0.7
425.14828	10.5
425.20224	0.7
469.17404	100.0
470.17612	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	469.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
71.01371	0.9
73.93434	0.3
79.95737	4.7
80.96508	1.8
82.81113	0.3
83.01363	0.5
85.02961	0.4
89.06218	0.3
96.96003	38.6
101.02428	1.1
113.02428	0.9
122.97572	0.5
138.97031	1.8
150.97049	0.6
166.96434	0.3
180.98096	0.7
198.99255	0.4
241.00218	6.8
249.03345	0.3
256.99771	0.5
259.01181	0.3
469.17419	100.0
470.17743	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	469.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10335	0.5
57.07999	0.5
59.01368	1.3
67.05563	0.6
71.01365	0.9
73.62675	0.5
77.46043	0.5
79.95728	1.9
80.96490	1.0
89.02477	0.5
96.96001	39.0
98.95581	1.4
101.02443	0.7
116.32312	0.5
132.33282	0.4
138.97131	0.6
150.97014	0.6
161.69060	0.5
198.99156	0.8
232.81671	0.5
241.00238	2.4
281.76285	0.5
292.06744	0.5
293.25922	0.6
329.12961	0.6
330.91562	0.5
446.89713	0.6
469.17416	100.0
470.17752	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	469.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02340	0.3
53.99407	0.3
59.01377	4.9
61.98817	0.9
70.63011	0.7
71.01373	1.8
73.02938	0.5
78.62127	0.4
79.95731	3.8
80.96510	1.3
81.95296	0.9
85.02945	1.2
86.60826	0.4
87.00852	0.6
89.02445	1.4
95.95228	1.3
96.96004	57.3
98.95591	6.3
98.96331	0.6
101.02436	1.9
102.02646	0.3
111.00774	0.3
113.01672	0.3
113.02440	0.9
119.03490	0.5
122.97582	0.9
126.16856	0.3
134.49818	0.3
135.04561	0.9
137.02419	0.6
138.97066	2.1
140.53525	0.4
150.97087	1.3
163.11316	0.8
164.11612	0.5
164.98627	0.6
165.01921	4.8
179.03477	1.0
180.04286	3.3
180.98135	0.9
184.50032	0.4
195.06616	6.5
198.99103	0.4
210.05490	0.5
225.07646	1.6
235.14879	0.3
241.00218	3.4
242.99829	1.9
243.08846	0.4
305.14349	0.3
361.13196	0.4
387.16608	1.1
389.17749	1.0
409.17300	0.6
411.12259	0.3
421.15384	0.6
437.14752	0.5
439.05539	0.6
451.16745	0.4
469.11655	5.9
469.17471	100.0
470.11316	0.5
470.17737	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	469.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18124	0.3
56.85167	0.3
58.02691	0.3
59.01369	3.7
61.98813	1.1
67.70424	0.3
69.59241	2.1
71.01362	1.6
79.95735	3.8
80.84067	0.4
80.96523	0.8
81.95308	0.3
85.02965	0.4
86.03249	0.4
89.02441	1.1
95.95224	1.1
96.96001	100.0
98.95571	2.8
101.02433	1.3
113.02432	0.6
129.01910	0.4
135.04495	0.5
138.97092	0.8
150.97050	0.5
163.11299	0.7
164.98671	0.4
165.01915	1.6
177.03990	0.5
180.04289	1.4
195.06578	2.2
207.10226	0.5
225.07645	0.7
241.00165	2.5
242.99934	0.5
250.96851	0.4
256.99698	0.6
307.12564	0.4
387.16727	1.2
389.17581	1.0
469.12146	6.0
469.17508	98.6
470.11902	0.8
470.17908	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	469.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
59.79389	0.2
68.54724	0.3
70.57431	0.2
70.77650	0.6
71.01379	0.8
79.95741	2.5
80.96510	1.4
81.95332	0.3
83.01351	0.4
85.02944	0.6
87.00895	0.3
93.45446	0.3
95.95213	1.6
96.96004	54.9
98.95576	0.6
101.02447	1.1
117.42049	0.3
122.97564	0.5
138.97046	1.5
150.97060	0.9
164.98566	0.4
168.98174	0.3
175.29422	0.3
180.98134	0.7
203.11865	0.2
222.99188	0.3
241.00233	3.7
242.00574	0.3
419.13580	0.4
437.14734	1.8
451.16217	1.0
469.17429	100.0
470.17746	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.7
60.01704	2.2
61.01804	2.7
71.01376	9.6
71.38343	1.0
72.01730	0.8
72.99294	1.3
73.02936	1.3
79.95726	4.3
80.96516	2.5
81.95309	3.0
82.96082	1.2
83.01386	1.4
85.02952	3.2
87.00866	1.1
88.98786	2.6
89.02442	11.1
90.02771	1.2
91.02870	1.5
95.95238	2.8
96.96005	74.1
97.94807	1.9
97.95917	0.9
98.95592	28.7
98.96421	4.1
99.00848	0.8
101.02442	8.5
102.02723	1.0
103.02879	0.7
106.79138	0.7
113.02465	3.9
119.03484	3.9
129.01881	0.8
138.97041	2.0
140.96619	2.1
150.97089	1.5
163.10011	1.1
163.11276	14.9
164.11650	4.2
165.11832	2.1
177.03888	1.0
180.98071	0.7
207.10243	5.3
208.10544	1.2
209.06566	1.4
209.10849	0.9
225.11290	1.2
241.00217	5.7
242.00571	1.2
242.99771	5.1
256.99866	1.0
258.99384	2.5
371.09637	1.4
387.16580	18.1
388.16840	2.2
389.17099	11.9
469.12207	100.0
469.17227	78.6
470.11426	7.0
470.18692	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	469.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.5
61.98807	1.0
69.82604	3.9
71.01372	9.3
72.99300	1.2
73.02946	7.1
79.85369	0.7
79.95734	8.2
80.96500	3.9
82.95399	0.8
83.01375	2.1
84.90854	0.8
85.02952	1.5
87.00879	2.3
87.45635	0.7
89.02451	4.3
94.29951	0.7
95.61911	0.7
95.95233	2.4
96.96004	66.9
98.19928	1.0
98.95578	7.0
98.96387	0.9
99.00876	0.9
101.02440	10.3
109.06590	1.3
113.02457	4.5
119.03511	1.5
120.27675	0.6
120.99640	1.0
122.97594	0.8
125.64145	0.7
133.06851	0.8
138.97063	6.1
143.78033	0.6
150.97057	1.9
153.00096	0.6
161.04533	0.8
166.96501	1.3
180.98132	0.9
209.11864	1.4
237.67828	0.8
238.98619	0.8
241.00232	15.5
241.02707	0.8
242.00404	0.9
245.09309	1.7
252.25780	0.7
256.99759	2.1
257.09042	0.6
261.73035	0.6
295.12122	1.1
383.13684	1.3
425.14835	23.4
426.15009	1.4
469.17615	100.0
470.18237	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	467.3159
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
59.01378	1.1
61.98812	1.0
62.22612	0.6
69.30864	3.8
78.95876	0.8
79.75761	0.5
79.95731	0.5
103.91565	0.5
123.57372	0.6
129.40749	0.6
150.05571	0.5
287.20114	0.5
298.76755	0.5
386.27496	0.5
391.26294	5.5
405.27878	4.1
407.29471	5.4
408.30008	0.7
421.31061	82.2
422.31482	8.9
423.32877	3.5
467.31613	100.0
468.31989	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	468.2597
Annotation	Linearilin
Peak:m/z	Relative Intensity
52.69325	0.5
57.03437	1.4
59.01375	5.5
60.22593	0.4
60.88958	0.4
61.98832	2.3
61.99119	0.4
62.29437	0.4
69.24568	4.9
71.01379	19.4
72.01732	0.4
72.02163	0.6
72.99306	1.2
73.02949	0.7
75.00855	0.8
77.51019	0.4
79.95728	1.7
83.05025	0.5
85.02950	1.9
87.04504	7.5
88.04037	71.5
89.02441	0.5
89.04375	0.7
96.96007	15.8
97.06561	1.1
98.06110	1.4
98.19899	1.0
98.95605	0.7
101.02418	1.5
113.02470	1.1
114.01957	0.8
115.00369	15.8
122.06120	1.0
129.01894	0.5
132.03020	30.7
137.02451	0.4
137.09671	2.5
138.97104	0.8
155.10687	0.8
157.82204	0.5
164.48686	0.5
180.10216	0.5
199.13507	0.7
241.00247	1.1
352.24884	0.9
353.23270	5.9
354.23932	0.6
388.20871	0.6
424.26874	2.9
432.23071	0.6
468.16412	11.2
468.25980	100.0
469.17285	15.8
469.26282	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	469.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
59.01380	3.9
61.98821	0.9
64.67830	0.3
69.53281	1.8
71.01373	4.2
72.99310	1.8
73.02937	1.1
75.00867	2.3
79.95725	7.6
80.03806	0.3
80.96508	5.0
83.01379	1.2
85.02941	3.0
87.00863	1.8
87.04506	0.4
88.04104	0.3
89.02438	0.8
93.03452	15.4
95.01387	1.0
95.95159	0.4
96.96004	73.3
98.03369	0.4
98.19848	0.8
98.95608	1.1
99.00878	0.6
101.02441	5.6
107.05029	1.2
108.02168	1.0
113.02449	3.1
116.98312	0.4
119.03501	0.4
121.02949	14.0
121.15089	0.3
122.97571	0.6
136.01630	0.5
137.02426	0.8
137.96260	0.5
138.97067	4.7
143.03407	0.4
150.97047	1.9
161.04492	0.4
166.96553	0.8
175.67416	0.3
180.98073	1.0
197.06067	3.6
199.07620	1.9
227.07120	22.8
227.16527	0.4
228.07472	1.4
241.00215	100.0
242.00514	3.0
330.17636	1.7
330.67569	0.6
388.17947	1.8
388.68576	0.4
389.08807	0.6
389.21732	1.0
411.20255	0.5
435.92728	0.4
468.64975	0.4
469.07990	3.4
469.16940	7.6
469.33182	1.1
469.66589	0.6
470.08408	0.4
470.17090	1.8
485.32291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
58.00597	2.2
59.01374	45.5
61.98819	4.9
69.01141	1.1
69.03443	2.0
70.86850	1.1
70.88748	3.3
71.01375	32.8
72.99300	3.9
73.02924	1.3
75.00871	1.7
78.91897	1.8
79.95739	8.4
80.96528	2.8
83.01373	1.6
85.02948	9.9
87.00883	4.9
89.02439	30.3
89.02986	2.1
93.03461	4.9
95.01376	2.7
95.95230	2.6
96.96001	73.2
98.95586	4.5
99.00890	2.1
99.04517	2.5
101.02448	18.1
113.02439	14.8
119.03484	14.3
129.01889	1.7
131.03485	1.7
134.03737	3.8
135.04581	1.6
137.02431	3.5
138.97044	3.9
143.03520	4.1
150.97066	2.8
159.03093	1.1
161.02475	2.1
161.04552	3.3
173.04536	2.5
175.03996	2.2
176.04654	1.6
179.05606	11.1
191.05582	3.0
193.05066	2.0
241.00223	16.6
251.16496	34.8
252.16759	2.3
256.99643	3.3
357.13351	2.9
371.12042	1.8
387.20233	7.2
431.22763	37.7
432.23373	1.7
449.14572	1.3
467.15823	100.0
468.15994	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	467.195
Annotation	Copal-8-ol diphosphate
Peak:m/z	Relative Intensity
55.01871	0.4
57.03433	0.7
59.01381	3.7
60.16759	0.4
61.98826	0.6
69.03432	0.5
69.80152	0.4
70.52024	1.0
70.52373	0.5
71.01383	3.6
72.58125	0.4
72.99306	1.0
73.02913	0.5
75.00858	0.6
78.95889	0.8
79.95735	8.7
80.96516	6.5
83.01376	1.5
85.02937	2.0
87.00863	2.3
88.04035	1.1
89.02435	0.4
93.03459	1.5
94.98089	0.5
95.95242	2.8
96.96008	85.1
97.02924	0.4
98.95584	1.3
99.00883	1.2
101.02444	1.7
103.00412	0.5
111.00882	4.5
113.02474	1.2
115.00381	1.0
120.96011	0.7
121.02971	0.5
122.97587	1.3
127.00372	0.6
127.07695	0.8
128.87857	0.4
129.01921	2.6
132.03040	0.9
132.35606	0.4
133.02957	1.0
134.03769	1.2
135.04549	3.2
136.04939	0.7
137.02466	1.7
138.97081	4.3
150.97116	1.4
152.99635	0.5
159.03017	0.9
159.10339	0.6
161.02466	1.8
164.98605	0.5
173.04689	0.5
177.04095	0.9
179.03654	0.4
180.98141	1.0
191.05612	0.4
192.98143	0.4
195.15286	0.5
198.99193	1.0
210.99312	0.9
238.98666	5.1
239.00726	0.4
241.00220	6.7
242.00554	0.5
242.56551	0.4
249.65211	0.4
256.99719	14.3
264.08878	0.6
275.09363	0.7
327.07898	0.5
351.62756	0.5
466.67780	0.5
467.19949	100.0
467.66635	1.3
468.20370	8.0
468.26294	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71278	0.3
59.01374	3.0
70.01150	0.3
71.01381	3.2
71.63029	0.5
72.99305	1.1
73.02954	0.7
75.00883	0.6
79.95732	6.6
80.96517	3.7
83.01392	0.8
85.02929	1.8
87.00871	0.8
89.02438	0.6
95.95231	2.9
96.96002	100.0
98.95575	0.7
99.00875	0.6
101.02419	1.8
101.82617	0.4
110.97574	2.0
111.00866	1.4
113.02427	1.1
120.99599	1.3
122.97568	1.5
129.01884	1.3
133.02925	0.5
134.03728	0.6
135.04471	1.0
138.97058	3.7
146.62794	0.3
150.97038	2.2
161.02396	0.9
164.98608	0.6
166.28801	0.3
180.98038	1.4
191.05634	0.4
193.04982	0.5
198.99167	0.4
225.00679	0.5
238.98674	1.6
240.98003	0.5
241.00212	6.2
256.99753	3.5
279.12720	0.3
308.32864	0.5
325.05801	0.5
466.68497	0.4
467.15445	99.1
467.30707	3.1
467.65707	0.5
468.15588	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	467.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58474	0.4
57.03442	1.0
59.01371	1.7
69.36898	2.7
69.37312	0.9
71.01372	1.6
72.99284	0.4
73.02940	0.5
79.95729	6.1
80.96510	1.1
81.95297	0.5
83.01370	0.4
85.02930	0.8
85.15520	0.4
87.00853	0.6
89.02447	0.5
95.95231	4.6
96.95999	46.0
98.95592	2.9
101.02430	1.5
107.52200	0.3
113.02444	0.4
122.97602	0.4
138.96127	0.4
138.97040	1.8
150.97069	0.6
161.04613	0.4
161.07208	1.1
162.16367	0.4
165.80008	0.4
175.08913	0.5
177.03983	0.4
189.06664	1.6
201.54108	0.4
203.08194	0.7
225.00734	2.0
237.43201	0.4
240.03883	0.4
241.00179	4.4
256.99765	0.8
305.11642	0.9
323.12372	2.6
347.05978	0.6
365.13177	0.5
385.95233	0.4
433.59915	0.4
467.15811	100.0
468.16171	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	467.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
59.01374	0.8
66.86531	0.3
67.15389	0.4
69.28072	2.5
69.28490	1.1
71.01369	1.6
73.02934	0.4
73.85837	0.3
76.25143	0.4
79.95735	8.8
80.96507	4.3
83.01360	0.6
85.02924	0.5
87.00865	0.9
89.02422	0.6
95.95243	0.6
96.96002	58.7
98.95587	1.4
98.96363	0.4
101.02408	3.0
109.27470	0.3
113.02431	1.1
120.46923	0.4
122.97556	0.5
137.14386	0.4
137.96324	1.0
138.97063	4.4
150.97008	1.1
161.07240	0.5
166.96594	0.7
189.06693	0.5
210.67804	0.4
241.00208	13.4
250.60890	0.4
256.99454	0.5
323.12494	1.5
453.06921	0.4
467.15829	100.0
468.16183	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	467.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87254	0.8
55.01875	1.0
57.03442	33.0
59.01378	20.5
65.73544	0.8
71.01379	6.7
73.02955	1.4
78.50278	0.9
79.95730	1.9
81.03433	0.9
81.85857	1.0
89.02441	3.1
90.69008	0.9
96.96006	20.4
98.19827	2.4
99.04507	18.7
101.02435	11.8
125.02438	8.2
135.89151	1.0
138.97090	1.4
145.07703	3.6
160.06401	13.3
161.04593	10.0
161.06174	0.6
161.07182	39.4
175.08739	26.2
187.08751	3.8
189.06670	66.8
190.07011	3.2
201.10326	7.3
203.08235	29.8
203.11890	7.6
204.08560	1.8
214.48836	1.1
217.09686	1.1
229.09802	15.6
241.00279	2.9
277.11841	2.8
287.10352	0.9
305.11401	62.2
306.11752	3.0
323.12427	100.0
324.12759	6.0
365.13525	14.6
366.14111	1.0
405.16599	1.9
467.15955	39.2
468.16165	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90223	1.1
59.01093	1.0
59.01375	18.3
60.01724	0.5
64.29483	0.6
69.66503	2.2
71.01382	5.0
72.99286	0.7
73.00986	0.4
76.68977	0.5
78.95897	3.2
79.95736	12.5
80.96508	5.4
83.01384	0.9
85.02951	2.5
87.00857	2.2
87.92504	1.6
89.02440	4.7
94.36644	0.5
95.01376	0.9
95.95242	0.7
96.96005	83.1
96.96883	2.7
98.19913	1.0
99.00858	0.8
101.02433	6.1
102.88166	0.6
111.04436	0.5
113.02457	3.5
119.03494	2.5
128.11424	0.5
135.04510	2.1
137.96294	0.6
138.97044	6.9
143.03473	0.6
150.97018	2.1
155.68802	0.6
163.11273	7.2
166.96486	1.0
172.87418	0.5
180.98067	0.9
207.10202	3.2
225.11256	1.6
238.98706	0.5
241.00215	22.2
256.99689	2.3
264.08643	1.0
273.69772	0.6
305.06915	3.8
380.90839	0.6
387.16556	10.3
409.07574	0.6
409.11765	7.4
467.16763	100.0
468.16943	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	467.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75746	0.4
57.03446	2.4
59.01377	3.3
61.98822	0.9
66.38888	0.4
69.34044	1.0
69.34447	2.3
71.01361	1.8
73.02927	0.4
77.43284	0.4
79.22008	0.4
79.95263	0.6
79.95737	12.2
80.96513	2.7
83.01364	0.5
85.02942	1.6
86.04266	0.4
87.00872	0.9
89.02425	0.4
95.95226	3.2
96.96005	58.9
98.95582	2.4
99.04499	1.0
101.02438	2.4
113.02450	0.7
115.95962	0.4
120.99680	0.5
122.97562	0.5
125.02419	0.5
137.96306	0.4
138.97063	4.0
150.97023	1.1
156.06723	0.4
160.06360	0.5
161.04518	0.8
161.07228	3.2
175.08714	1.2
177.04012	0.5
180.98076	0.8
185.10785	0.5
189.06680	3.6
198.99132	1.1
203.08266	1.4
203.11867	0.4
209.06602	1.2
229.09807	0.7
231.08379	0.9
241.00215	7.6
242.99866	0.5
256.99698	1.4
259.01334	1.4
262.10812	0.9
263.11133	1.7
275.18387	0.4
305.11307	2.4
323.12402	4.2
341.05722	0.4
385.88950	0.4
409.11716	2.5
437.14789	0.9
467.15851	100.0
468.16165	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	467.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51676	0.4
59.01381	2.4
70.17393	2.2
70.17744	0.7
71.01365	2.0
72.99290	0.6
79.28458	0.6
79.95729	6.6
79.99940	0.5
80.96509	1.7
85.02946	0.8
87.00857	0.6
95.95223	6.7
96.96004	69.1
98.20507	0.7
98.95583	4.4
98.96359	0.8
101.02419	1.7
113.02428	0.6
122.97567	1.0
138.97050	2.9
150.97083	1.0
152.98486	0.6
168.98097	0.6
177.04021	3.3
180.98099	0.9
213.00941	0.8
225.00768	1.3
241.00175	5.5
256.99695	5.2
387.16599	0.7
467.15897	100.0
468.16263	8.9
480.74835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52595	0.4
59.01366	1.2
61.42615	0.3
66.09759	0.3
69.91109	0.3
70.74618	0.9
71.01384	1.2
73.02927	0.3
79.95728	7.7
80.96523	3.0
82.99535	0.3
83.01371	0.4
83.85738	0.3
85.02915	0.4
87.00861	0.5
88.44038	0.4
95.95235	2.8
96.96005	56.8
98.19937	0.4
98.95598	0.8
101.02437	1.2
103.83548	0.3
113.02461	0.6
113.14110	0.3
122.97569	0.9
124.01994	0.3
138.97055	2.6
150.97052	1.1
177.03989	0.4
177.42494	0.4
180.98116	0.8
197.08624	0.3
241.00217	7.1
242.00642	0.5
256.99637	1.8
259.01315	0.5
313.69962	0.3
321.81244	0.3
423.13266	0.5
467.15851	100.0
468.16202	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	467.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.5
59.01376	14.0
61.98797	0.5
68.97451	0.4
69.26290	4.3
71.01374	4.7
72.99311	0.4
73.02946	0.6
73.84899	0.5
75.28049	0.4
79.95734	11.0
80.96118	0.5
80.96523	5.2
83.01369	1.0
85.02944	1.5
87.00877	1.4
89.02422	3.2
89.08914	0.4
95.01366	0.7
95.95245	0.9
96.96007	77.1
101.02435	4.8
111.00913	0.5
113.02430	2.5
119.03487	1.3
122.97542	0.5
137.96312	1.0
138.97070	5.7
150.97090	1.1
163.11290	6.6
166.96590	1.5
207.10403	1.6
225.11325	1.2
226.22676	0.5
227.71326	0.4
239.89731	0.4
241.00203	21.4
242.00742	0.6
256.99622	2.1
259.01297	0.6
305.07019	3.2
387.16534	8.0
388.17365	0.6
409.11713	6.9
410.12402	0.6
467.16544	100.0
468.16690	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	467.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22537	0.6
57.03430	0.7
59.01384	5.6
69.64198	4.2
71.01381	7.4
72.99304	1.3
79.95744	4.1
80.96525	1.7
81.03362	0.7
83.01373	1.3
85.02939	2.9
87.90869	0.7
89.02413	1.3
95.95232	1.5
96.96003	53.8
98.20692	1.0
99.63774	0.6
101.02436	3.1
111.00793	0.7
113.02441	3.1
119.03513	0.8
125.02443	0.8
138.97041	3.1
171.39760	0.7
184.49821	0.7
225.14919	7.4
241.00208	7.4
256.99756	1.0
333.69186	0.7
369.19019	2.0
384.69882	0.8
387.20206	35.4
388.20609	2.5
390.36957	0.8
467.15842	100.0
468.16168	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	467.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
70.63043	0.9
71.01374	1.5
79.95267	0.7
79.95732	9.0
80.96513	3.4
81.59267	0.4
83.01382	0.5
85.02937	0.7
87.00886	0.9
95.95224	2.0
96.96005	57.2
98.95574	1.5
101.02427	1.9
113.02422	0.6
122.97588	0.8
137.96304	0.8
138.97093	3.7
150.97047	0.9
177.04074	0.5
241.00249	9.0
256.99689	1.2
271.24777	0.5
285.79337	0.4
397.11893	0.8
440.22388	0.5
467.15845	100.0
468.16202	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	467.1578
Annotation	Prim-O-Glucosylcimifugin
Peak:m/z	Relative Intensity
58.00577	0.5
59.01377	16.1
69.54120	3.5
71.01376	4.4
71.14723	0.4
72.99287	0.7
75.00858	0.9
79.95741	8.0
80.96505	2.1
85.02928	1.9
87.92104	0.5
89.02419	2.5
95.95222	12.7
96.96004	96.4
98.19859	0.6
98.95577	1.4
101.02417	2.9
105.89050	0.5
113.02461	1.6
119.03515	1.1
122.97552	1.0
129.01956	0.7
138.56310	0.4
138.97014	3.8
150.97079	1.3
152.98650	0.6
155.87634	0.4
159.02974	0.5
163.11336	1.3
164.98695	0.6
168.98135	0.9
177.04031	7.3
179.47589	0.5
180.98146	1.0
194.99733	0.5
197.01262	0.5
198.99239	0.8
207.10359	1.4
213.00763	0.9
225.00705	2.3
241.00209	5.6
256.99677	8.3
275.94485	0.4
343.27072	0.5
387.16553	6.3
467.16541	100.0
468.16852	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	465.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99778	18.0
53.72281	17.6
57.30215	18.3
57.81972	17.4
69.71178	100.0
72.54364	17.0
75.38147	18.5
77.50318	16.0
224.85539	20.2
229.55914	17.1
270.88071	18.4
286.33945	21.9
296.92203	18.0
333.30295	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	466.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.8
61.98827	4.0
71.61865	1.7
75.97516	1.1
81.03471	1.4
92.17542	1.3
94.02903	1.3
96.95982	1.3
116.27700	1.2
119.65003	1.3
123.04516	14.9
134.03719	5.9
135.04536	1.7
150.05598	100.0
151.05931	2.3
157.25261	1.2
170.88385	1.6
239.20058	1.5
273.38354	1.2
279.23273	52.9
280.23596	3.6
315.38654	1.4
330.20532	3.5
412.28339	2.2
430.29489	20.5
431.30063	2.3
467.28061	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	467.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	18.3
70.17222	1.4
70.17580	0.4
71.01377	4.9
72.99281	0.4
73.02913	0.7
73.18273	0.3
75.00848	0.4
76.98247	0.3
78.52853	0.3
79.95730	6.0
80.96516	1.9
83.47525	0.3
85.02931	1.0
87.00883	0.5
89.02441	3.9
95.01389	0.3
95.95225	9.5
96.06074	0.3
96.96001	75.4
98.19886	0.3
98.95605	0.7
101.02435	3.8
102.19035	0.3
113.02458	1.6
119.03491	1.5
122.97572	0.8
131.03502	0.3
138.97046	2.1
150.97130	1.5
152.98752	0.5
159.03053	0.4
163.11255	2.2
164.98671	0.7
168.98242	0.7
177.04030	5.2
180.98128	0.5
194.99713	0.5
198.99223	0.8
207.10248	3.4
213.00859	0.9
222.99289	0.7
225.00755	1.7
241.00197	9.2
247.65277	0.3
256.99670	8.5
258.00079	0.4
295.13416	0.4
313.06317	0.3
327.13565	0.4
387.16580	9.1
388.17236	0.4
411.09937	0.4
428.51437	0.3
467.16537	100.0
468.16788	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
58.60159	0.7
59.01377	36.7
70.77839	2.0
71.01377	9.1
72.99294	0.7
73.02949	0.8
77.39576	0.6
79.95733	10.5
80.96523	6.0
83.01363	0.8
85.02930	2.7
87.00863	1.8
89.02443	6.6
91.78192	0.6
94.98095	0.7
95.01381	0.8
95.95232	1.9
96.96004	100.0
98.75050	0.6
98.95613	1.0
101.02429	7.2
103.68020	0.6
113.02427	4.1
119.03511	2.8
124.17994	0.6
137.96303	0.8
138.97057	5.6
150.97063	1.5
163.10008	0.9
163.11287	12.5
164.11598	0.7
180.98094	0.8
197.96028	0.6
207.10208	2.5
208.10553	0.7
225.11302	7.1
241.00224	18.5
256.99786	1.7
259.01346	1.1
299.35226	0.6
305.06985	17.1
306.07132	1.2
387.16537	17.5
388.16998	1.3
407.77264	0.6
409.11606	5.2
467.11694	39.1
467.16077	60.6
468.12164	3.1
468.16397	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	465.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
58.48270	0.4
59.01368	1.6
62.92642	0.4
68.99819	0.5
71.01366	2.9
72.99316	0.8
73.02959	0.6
75.00871	1.0
78.95898	11.8
79.95273	0.5
79.95734	10.5
80.96517	7.8
81.95325	0.8
83.01381	0.9
85.02934	1.9
87.00871	3.1
87.04466	0.4
89.02431	0.6
94.98081	0.9
95.95223	3.9
96.96003	68.6
98.20708	0.8
98.95586	3.4
98.96406	0.7
99.00881	1.2
99.27103	0.4
101.02448	1.4
109.58079	0.4
111.00871	6.0
113.02447	1.1
115.00363	0.7
120.95999	1.0
122.97535	0.5
127.00354	0.9
129.01936	3.9
135.04504	1.9
136.95462	0.3
137.96341	0.5
138.97078	3.1
140.96648	0.4
147.07530	0.3
150.96994	2.1
152.99588	6.0
154.96532	0.6
156.38390	0.4
159.03020	1.0
166.96582	0.5
168.29059	0.4
177.04076	0.8
190.96611	0.4
198.99251	0.6
210.99199	1.1
230.26152	0.3
238.98643	8.0
241.00194	7.6
241.02394	0.5
256.99710	19.1
258.00006	0.5
259.01166	0.5
339.07458	3.6
356.15823	0.5
406.19128	0.8
409.12387	0.4
435.16956	0.4
463.15060	0.7
464.68304	0.7
465.18002	100.0
465.66913	1.1
466.08914	0.4
466.18414	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	465.143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	0.6
59.01377	18.0
68.57043	0.5
71.01384	9.7
71.39884	1.0
72.99300	1.0
73.02937	0.6
75.00852	1.6
79.95726	5.0
80.96500	1.2
81.95296	1.2
82.83827	0.4
83.01342	0.9
85.02941	3.4
87.00864	0.5
89.02432	11.4
95.01364	0.6
95.95226	3.3
96.96004	62.1
99.00853	0.9
101.02431	9.0
107.08624	0.6
113.02451	4.6
119.03479	4.0
121.02985	0.5
122.97591	0.8
138.97061	2.5
150.97038	0.8
151.00323	1.7
161.13354	2.8
177.04025	3.5
179.05557	0.6
182.01154	0.5
205.12320	5.8
213.00908	0.6
223.13431	0.5
241.00211	5.3
256.99796	3.2
301.03391	0.9
302.03656	1.3
303.04044	2.2
377.14230	0.9
385.18765	6.5
386.18961	0.7
465.14230	100.0
465.27176	3.8
466.14526	8.9
476.04819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65874	0.4
55.01878	0.6
57.03451	0.9
57.46640	0.4
59.01373	7.9
61.98824	1.0
69.03458	0.4
71.01373	6.1
72.99313	1.1
73.02948	0.7
75.00879	0.7
76.81804	0.4
79.95730	10.5
80.96504	3.6
81.95301	0.7
83.01377	1.0
85.02944	2.3
87.00857	1.5
89.02439	4.4
95.01379	0.4
95.95238	4.8
96.96004	67.4
98.95578	1.0
99.00890	0.7
101.02441	4.7
111.00859	0.9
113.02424	2.4
119.03474	2.2
122.97577	0.6
129.01909	0.9
137.02405	0.5
138.97052	3.1
138.97932	0.5
143.03523	0.5
147.04471	0.4
150.97021	1.5
154.36310	0.3
161.04376	0.4
161.13339	1.4
164.98474	0.5
166.96614	0.5
180.98106	0.8
182.99658	0.4
205.12296	2.1
207.49780	0.4
223.13258	1.2
225.00719	3.0
238.98615	1.3
241.00208	7.1
247.59267	0.4
253.47292	0.4
256.97385	0.4
256.99686	2.6
257.73978	0.4
259.01291	0.7
348.60275	0.4
385.18552	1.6
465.14273	100.0
466.14545	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	465.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03445	2.4
58.00599	0.7
59.01375	21.5
60.01718	0.5
61.98815	1.1
63.02415	0.6
69.03451	0.9
70.44889	1.3
71.01376	13.4
72.99316	2.4
73.02941	0.6
75.00858	1.3
77.67269	0.5
79.95733	6.7
80.96523	1.9
81.95321	2.0
83.01388	1.9
85.02948	6.8
87.00864	1.7
88.46694	0.4
88.98792	5.5
89.02441	10.8
93.03468	0.7
95.01380	0.7
95.95242	4.0
96.96006	71.7
97.02962	1.2
98.95583	1.9
98.96418	0.7
99.00885	3.2
99.04531	1.2
100.96074	0.5
101.02446	9.1
107.01393	0.8
107.08665	0.5
111.00862	0.7
111.08180	2.9
113.02447	4.7
115.04021	0.8
119.03507	4.1
121.03003	0.9
125.02444	0.6
127.07624	0.6
129.01952	2.5
129.09172	1.7
131.03563	0.6
135.49954	0.4
138.97041	2.8
141.01915	0.9
150.28952	0.4
150.97105	1.4
151.00363	3.0
152.00693	1.6
153.00845	1.1
155.07146	1.3
157.01431	4.4
159.02917	0.5
161.04507	1.1
161.13364	2.6
177.04007	3.1
178.99968	1.1
180.98143	0.6
181.00262	0.6
191.05592	1.9
198.99141	0.6
205.12305	4.0
208.77435	0.5
209.06746	0.6
211.83853	0.5
241.00244	6.3
252.45482	0.7
256.99741	3.3
273.17062	3.7
285.20639	2.0
301.03464	1.9
302.03824	1.6
303.04099	5.7
303.21796	1.0
321.09738	1.5
385.18729	5.6
447.25842	0.7
465.14218	100.0
465.22574	6.3
465.27176	9.3
465.63660	0.9
466.14563	9.2
466.23480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
59.01382	2.5
70.19172	0.4
70.30334	1.5
71.01381	2.9
73.02960	0.5
79.95734	7.5
80.96508	3.1
85.02953	1.2
87.00880	0.6
89.02436	0.6
90.48643	0.4
94.98028	0.7
95.01408	0.4
95.95238	4.4
96.96006	93.9
97.95965	0.5
98.20655	0.5
101.02457	1.3
113.02417	0.7
122.97594	1.8
138.97054	4.4
139.71951	0.4
150.97076	2.6
164.98653	0.5
168.98076	0.5
177.04044	1.3
180.98132	0.9
193.22548	0.4
198.99159	1.6
241.00171	5.9
256.99725	1.1
259.01077	0.6
301.09259	0.4
465.14301	100.0
466.14609	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	465.143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61728	0.3
56.40072	0.3
59.01370	0.4
69.55028	1.5
69.55433	0.7
70.24133	0.3
70.65345	0.3
71.01375	1.7
73.02950	0.4
79.95734	8.6
80.96516	5.3
83.01363	0.7
85.02940	1.2
87.00866	1.0
94.98019	0.3
96.96004	49.6
98.19870	0.6
101.02444	1.6
111.00882	0.8
111.23194	0.3
113.02442	1.1
114.52852	0.3
122.97569	0.5
127.00368	0.4
129.01956	0.5
137.96263	0.7
138.97072	4.0
150.97026	1.0
166.96509	0.6
180.98172	0.4
186.44560	0.3
217.02988	0.3
238.98595	1.8
241.00201	13.4
242.00557	0.8
256.99707	4.4
259.01303	0.5
386.25095	0.4
465.14294	100.0
466.14584	9.8
476.04916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49853	0.4
59.01367	0.5
61.59189	0.5
69.48313	1.9
69.48737	1.4
71.01378	1.8
73.16338	0.4
79.95264	0.8
79.95732	16.8
80.96514	5.3
85.02963	1.2
87.00872	1.4
95.95215	1.0
95.96243	0.4
96.96004	64.6
97.17168	0.5
98.20635	0.9
100.95304	0.4
101.02438	1.9
111.00864	0.4
113.02432	1.3
116.18628	0.4
122.97526	0.5
133.23825	0.5
137.96309	0.6
138.97069	5.2
150.97064	1.7
166.96480	1.1
180.98143	0.7
238.98592	0.8
241.00201	15.4
256.99722	1.9
437.14908	0.5
440.34625	0.5
465.14288	100.0
466.14621	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	464.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.1
60.58229	0.6
61.98825	34.3
69.72981	1.9
69.73390	1.4
71.01373	1.6
85.02968	0.7
89.02451	1.6
96.96005	13.0
101.02432	0.9
110.82681	0.6
120.99627	3.6
121.99934	0.6
123.04517	51.5
124.04833	1.6
135.04533	3.5
138.97066	1.5
153.05563	100.0
154.05931	3.3
161.04504	0.7
167.22989	0.6
218.39337	0.7
241.00244	0.8
248.09276	0.8
287.73767	0.7
307.58218	0.7
357.11917	13.6
358.12201	1.0
405.21381	1.3
410.14542	0.7
429.13867	0.8
450.95700	0.6
465.14401	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	464.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01091	0.7
59.01379	11.6
60.01711	0.7
61.98827	20.5
69.49615	3.2
69.49946	0.7
71.01379	4.9
72.99311	1.0
73.02944	0.9
73.16750	0.4
78.95890	1.8
79.05541	0.9
79.95735	3.9
80.95994	0.4
80.96522	1.5
83.01386	0.5
85.02956	1.2
87.00895	0.7
89.02438	3.8
95.01386	0.4
95.95244	1.7
96.96006	83.9
96.96886	2.6
97.06586	0.9
101.02427	2.3
113.02444	1.8
119.03526	0.9
122.97551	0.7
123.04522	22.9
124.04831	0.8
130.87108	0.4
135.04533	2.5
138.97081	4.5
141.05583	1.4
142.05896	0.5
150.97041	1.4
153.05568	44.6
154.05898	1.5
161.04668	0.8
168.98232	0.6
179.05605	1.5
180.98064	0.9
183.80934	0.4
198.99136	4.2
227.71413	0.4
241.00198	4.9
248.09352	1.4
256.99887	0.5
259.01266	2.7
283.11896	1.0
309.16388	0.5
350.23520	0.5
357.11938	5.5
358.11984	0.5
405.21011	0.4
410.14587	1.3
421.11737	1.4
464.18283	0.9
465.14343	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	463.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03446	2.0
59.01378	19.3
61.98818	1.8
71.01376	5.5
72.77200	0.4
72.99300	1.9
73.02943	1.3
75.00868	2.0
79.95732	14.5
80.96512	14.1
83.01389	2.8
85.02948	4.8
87.00867	6.5
87.04501	0.5
89.02442	1.6
93.03440	0.5
94.98079	2.2
95.95242	1.2
96.96007	72.3
97.02965	0.9
98.19771	0.7
98.95634	0.4
99.00874	4.0
100.92693	0.4
101.02451	3.1
103.00345	0.7
111.00869	13.8
113.02434	2.4
115.00366	1.3
119.03535	0.6
120.96010	2.3
121.00698	0.4
122.97626	0.7
123.04508	0.5
125.02435	0.4
127.00375	1.7
129.01933	8.0
136.95454	0.7
137.02443	0.6
138.97076	6.6
146.15257	0.4
150.97070	1.2
151.00333	0.5
154.96574	1.3
157.04405	0.4
159.02965	2.4
166.96510	0.9
176.98590	0.5
177.03935	0.9
180.98135	0.5
182.96059	0.5
192.98109	1.0
210.99162	2.2
238.98666	16.0
239.99190	0.5
241.00209	10.4
256.99710	37.8
258.00098	1.1
259.01340	0.6
262.26752	0.6
271.19095	1.1
283.19168	0.8
300.02765	0.5
301.03369	0.8
403.19617	1.1
421.20688	0.8
462.71973	0.6
463.16348	100.0
463.65186	1.4
464.16681	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.41869	0.5
59.01392	1.5
61.98846	0.5
63.02408	0.8
65.00330	1.1
69.75274	0.4
70.97488	0.4
71.01395	0.8
82.93957	0.4
83.01418	0.9
85.02969	0.5
88.04073	1.8
89.02444	1.0
95.14937	0.4
95.95216	0.8
96.96008	3.5
98.20721	0.9
101.02487	0.6
107.01398	2.8
108.02189	1.4
109.02973	1.6
121.02991	1.4
129.06711	0.6
135.00919	0.9
148.01686	1.1
149.02432	0.4
151.00363	12.5
159.04651	0.5
161.02403	0.6
163.00334	2.4
164.01138	1.3
175.04056	0.9
178.99855	5.1
183.04544	0.4
190.99879	0.5
192.00533	0.5
198.50003	0.4
199.03972	0.7
201.05486	0.5
211.03961	1.5
216.04359	0.7
226.02737	2.3
227.03438	3.5
243.02962	12.9
244.03391	1.0
245.04498	1.2
254.02252	2.3
255.02953	26.4
256.03394	1.4
271.02441	61.0
271.15552	0.8
272.02945	4.8
273.04056	1.0
283.02408	1.5
299.01971	1.7
300.02719	100.0
301.03445	45.8
301.06238	0.5
302.03854	2.0
343.08295	0.7
440.71014	0.7
463.08649	81.6
463.22156	1.8
464.08984	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	463.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64109	0.9
57.03443	1.4
58.81230	0.8
59.01376	12.2
61.98820	1.1
68.85497	0.8
70.42055	0.8
71.01370	4.9
72.99294	1.8
73.02940	3.5
75.00867	2.7
75.81842	0.8
78.95900	0.9
79.95734	19.5
80.96518	4.2
83.05016	1.6
85.02945	4.7
87.00853	2.8
89.02422	1.4
93.02847	1.2
93.03452	30.0
95.95219	5.4
96.96004	100.0
99.00925	1.6
101.02420	3.8
107.05581	0.9
111.00871	3.1
113.02433	3.2
116.67268	0.8
122.97542	1.1
129.01927	2.5
135.04517	1.3
137.02431	82.2
138.02817	1.9
138.97067	3.9
150.97047	1.4
151.00383	1.3
159.02997	1.5
161.35104	1.0
177.04066	4.5
181.05075	1.4
213.00676	1.1
238.98578	2.2
241.00172	9.9
256.99710	9.6
257.38953	1.1
269.17471	1.6
271.02466	1.4
300.02481	1.0
301.03275	2.4
325.05954	42.8
326.06274	1.9
343.07013	11.2
462.23608	1.3
463.09061	44.8
463.16354	41.5
463.66809	0.9
464.09393	3.7
464.16745	4.2
464.30231	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	463.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
58.00592	0.7
59.01096	0.5
59.01377	10.9
59.27304	0.4
61.98840	2.4
67.01888	0.5
68.99823	0.9
69.03444	1.5
69.62366	2.5
71.01379	6.3
72.99313	2.4
73.02940	1.6
74.99081	0.5
75.75033	0.3
79.95735	35.8
80.96519	3.5
83.01371	1.4
83.04998	0.5
85.02951	9.8
87.00870	2.4
87.04527	0.6
89.02451	2.4
93.03464	0.9
95.95232	8.0
96.96007	69.2
97.02924	2.4
98.19871	0.7
99.00874	2.2
99.04519	0.8
100.25650	0.4
101.02444	3.4
107.01380	0.6
111.00872	1.2
111.08158	0.8
112.36929	0.5
113.02460	3.1
113.06071	0.5
115.04017	4.4
119.03506	1.0
120.99644	5.1
121.06610	0.5
125.02435	0.7
129.01910	3.4
133.03006	0.4
134.03679	0.6
135.04535	0.7
137.02425	0.8
137.09703	1.0
138.97064	5.0
141.01929	1.4
149.06024	0.7
150.97018	1.2
151.00368	1.9
158.46774	0.4
159.03015	1.3
164.01164	0.4
164.98630	0.5
171.06677	0.5
191.05592	2.9
191.07153	0.8
192.81932	0.5
203.10698	0.8
209.06647	2.8
213.02252	0.8
221.11824	1.6
225.00752	3.6
238.98637	1.3
241.00230	9.7
255.02969	1.2
256.99667	3.8
259.01248	2.2
271.02444	4.2
271.15466	7.0
272.03113	0.5
283.09921	0.6
300.02756	5.4
301.03494	2.4
301.07172	5.3
343.08026	0.4
377.14151	0.5
396.62277	0.4
403.19547	0.6
413.18069	0.6
419.13721	0.8
419.19019	0.7
448.10394	3.8
463.12793	100.0
463.21854	25.0
464.13232	9.8
464.22113	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	463.0877
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
59.01373	0.6
63.02390	2.9
65.00318	5.7
71.01380	0.9
79.95734	5.9
83.01379	4.2
85.02964	0.4
93.03458	1.2
95.95236	2.6
96.96002	7.9
107.01380	13.5
109.02946	0.3
118.93111	0.2
121.02940	10.5
122.03278	0.3
124.01640	0.6
125.02422	0.5
137.02434	0.8
138.97079	0.5
139.03999	0.5
148.01660	0.3
149.02446	1.0
150.97044	1.1
151.00354	53.8
151.97839	0.7
152.00656	1.5
161.02365	0.5
163.00360	0.8
163.03960	0.4
164.01125	0.9
169.01404	1.3
175.03978	0.6
178.99838	26.2
180.00206	0.7
187.03981	0.4
192.00664	0.4
193.01410	1.6
201.05507	0.6
211.03989	0.7
222.99165	0.4
227.03453	0.8
229.05060	1.5
241.00237	1.0
243.33827	0.3
245.04535	0.8
255.03036	0.7
256.03766	0.3
256.99692	1.0
257.04443	0.9
271.02451	0.8
272.31677	0.3
273.04050	3.0
299.01941	0.4
300.02652	2.3
301.03500	100.0
302.03836	6.0
335.68787	0.2
359.65390	0.3
463.08755	37.8
463.19992	12.2
463.25610	0.9
464.08914	3.5
464.20087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51426	0.4
54.72118	0.5
59.01365	2.7
61.98833	0.9
70.61813	0.5
71.01381	2.9
71.62768	0.4
73.02939	0.8
85.02937	1.2
89.02459	0.9
96.55637	0.5
96.96016	4.2
97.02940	0.4
99.00898	0.5
101.02431	1.5
102.05608	1.6
107.05038	0.9
113.02430	0.8
120.99683	1.7
123.04549	0.5
128.03531	1.4
129.01988	0.5
134.03732	9.5
135.04515	100.0
136.04849	3.5
139.03964	0.7
149.02483	2.7
149.06071	10.5
151.03912	0.8
160.04074	1.3
161.02431	4.8
161.04536	0.7
162.04941	0.5
169.14189	0.5
177.04266	1.0
178.05061	3.8
200.80594	0.5
202.08644	0.8
234.07570	0.7
246.07692	1.2
264.08743	39.7
265.09018	2.1
269.10266	0.7
270.10645	1.0
300.06396	23.2
301.06714	1.5
306.09799	0.8
401.14340	1.6
402.14816	4.7
426.17834	7.1
442.76459	0.6
462.11664	22.8
463.12570	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	461.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.3
59.01382	15.6
71.01381	19.3
71.63081	2.1
72.99316	1.2
73.02932	3.8
76.73902	1.0
78.95890	4.3
83.01362	1.3
85.02930	4.6
87.00841	1.1
89.02432	15.1
90.03432	1.2
98.48123	1.4
101.02438	19.5
113.02412	2.5
119.03459	2.7
152.99576	7.2
162.89214	1.1
163.04890	1.3
163.06100	5.2
181.07161	100.0
182.07477	2.2
188.79877	1.3
191.07784	1.3
279.23199	9.5
280.23486	1.9
281.24100	1.4
293.24808	16.3
294.25186	1.5
375.01746	1.1
376.53720	1.1
379.28055	2.3
383.33850	1.2
461.18884	2.6
461.32260	2.7
473.59085	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	1.8
61.98837	1.4
64.75933	0.7
79.95741	2.4
80.52542	0.7
80.96494	1.0
83.05083	1.0
96.95998	2.9
113.73418	0.6
121.15279	0.7
132.19254	0.7
186.52063	0.6
249.43250	0.7
335.69873	0.8
343.30026	1.3
344.30753	0.8
345.31534	0.8
352.79486	0.9
399.36176	3.0
443.35394	4.1
461.36334	100.0
462.36707	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03446	1.1
59.01372	15.9
61.98814	0.8
67.78293	0.6
69.03447	1.1
69.90511	3.3
71.01379	19.9
72.99305	1.1
73.02936	4.3
75.00865	1.5
78.95913	0.8
83.01382	2.3
85.02946	5.1
87.00874	1.3
89.02444	17.0
90.02764	0.5
97.02917	1.3
101.02435	18.7
113.02438	2.3
119.03489	3.3
127.11362	0.6
131.03477	1.0
143.03424	0.9
149.04500	1.1
152.99567	0.7
163.06100	5.1
177.04074	1.1
181.07169	100.0
182.07516	2.4
199.12073	0.6
277.21658	7.0
278.22131	0.7
279.22305	1.3
281.24869	1.6
330.01544	0.5
348.17004	0.7
351.48053	0.6
459.29477	2.6
459.35220	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	461.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28803	0.3
59.01371	4.3
61.09606	0.4
65.00317	3.0
69.59061	2.9
73.02930	0.3
73.52410	0.4
79.95730	1.0
85.02948	0.5
89.02438	0.6
93.12434	0.4
95.01404	0.6
96.96026	1.1
101.02430	1.0
108.94739	0.4
110.00078	5.3
111.00874	2.5
113.02439	0.6
123.00903	0.6
124.01652	0.6
124.98839	0.6
136.98801	3.9
137.99557	1.3
139.00372	4.6
146.22711	0.5
164.98294	0.4
165.99049	7.5
166.99846	0.9
183.04514	1.7
185.02429	0.9
187.04018	1.7
188.04759	1.0
199.04016	0.7
200.04793	2.1
201.05420	0.4
211.03967	1.5
212.04784	4.8
213.01868	1.3
214.02704	3.4
215.03505	0.5
227.03517	0.5
228.04259	0.9
239.03348	0.8
240.04370	0.5
255.02959	2.9
256.03659	1.2
267.02939	0.5
281.17526	0.6
283.02386	2.0
284.03232	100.0
285.03836	12.5
299.05573	59.9
300.05930	3.9
415.28818	0.4
446.08386	1.4
461.10797	25.3
461.23962	0.9
462.11005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1663
Annotation	Ircinianin sulfate
Peak:m/z	Relative Intensity
55.01845	0.7
57.03443	1.4
58.00578	2.8
59.01374	64.2
59.37883	0.6
63.75579	0.6
65.80425	0.6
69.03429	0.6
69.82056	1.9
69.82475	1.4
71.01377	43.9
72.99303	2.0
73.02943	17.0
75.75472	0.5
80.78894	0.7
83.01360	2.0
85.02957	5.5
87.00869	1.5
89.02437	77.7
90.02767	1.1
95.01366	1.7
95.24277	0.6
96.95995	0.9
97.02959	1.7
99.00871	27.0
101.02435	27.3
106.86867	0.7
113.02447	12.4
115.04002	0.9
119.03498	8.8
120.99622	1.7
125.02418	3.6
131.03491	10.4
134.03735	10.8
135.04520	3.3
143.03510	1.3
149.04529	33.8
149.06033	8.2
150.04950	0.9
152.04781	1.5
161.04504	2.6
167.03564	0.8
167.07097	1.0
178.17123	0.6
179.05579	1.9
191.05612	11.9
205.07130	3.4
221.06584	1.1
233.06604	0.9
251.07637	2.5
329.12415	8.4
330.12610	0.8
335.96408	0.7
461.16592	100.0
462.16977	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	461.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79408	0.6
53.36975	0.6
59.01396	3.0
59.25325	0.6
61.98825	1.4
70.19909	0.6
71.00742	1.4
71.01376	2.7
75.00873	0.7
79.95734	24.0
80.96503	1.9
85.02919	0.9
90.84230	0.6
95.95225	37.2
96.96003	74.8
101.45518	0.6
122.97588	1.0
138.97040	2.6
150.97061	8.9
151.97818	5.3
177.04070	3.2
181.60339	0.6
194.99651	1.3
213.00691	0.8
222.99283	3.0
241.00191	6.4
246.65031	0.6
256.99667	2.8
293.21152	2.7
399.85590	0.6
410.08829	0.6
461.18436	100.0
462.18854	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	459.2748
Annotation	Stypohydroperoxide
Peak:m/z	Relative Intensity
59.01392	1.2
59.60030	0.6
60.09545	0.6
61.98819	0.6
70.20130	1.8
70.20520	1.5
78.95922	0.7
117.03462	1.6
121.02975	0.7
127.82511	0.7
132.02219	1.1
133.02950	20.3
134.03746	1.6
135.04533	7.4
152.99600	1.0
161.02432	100.0
162.02788	3.0
179.03502	1.4
213.30421	0.6
251.23618	0.8
297.24307	11.3
373.27280	0.9
383.29617	0.7
399.29218	1.3
441.26422	1.3
459.27472	46.0
460.27960	5.0
484.13428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83414	1.8
59.01087	2.9
59.01374	38.2
69.56264	13.0
71.01380	36.2
72.99290	2.8
73.74252	2.1
85.02933	3.9
87.00870	3.5
89.02440	42.6
98.72722	1.8
101.02435	8.1
113.02412	8.8
119.03484	5.4
124.01337	1.7
143.03535	2.2
161.04564	6.3
179.05582	15.1
184.63437	1.7
211.00224	2.3
279.23267	100.0
280.23544	5.6
297.99759	2.1
361.23593	8.0
459.35117	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	459.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43083	1.6
55.01859	2.1
57.03441	2.4
59.01376	100.0
69.03457	4.0
71.01376	50.1
71.22990	4.6
72.99319	2.1
73.02942	86.2
75.67549	1.6
79.95728	3.1
83.01381	29.1
85.02933	10.6
87.00924	1.9
89.02454	16.4
95.01390	1.6
95.78647	1.8
96.96015	7.5
97.02985	1.9
99.00922	2.4
101.02435	67.6
113.02444	18.4
117.52215	1.5
118.36043	1.6
119.03506	5.0
129.01941	2.6
131.03444	4.6
143.03462	4.9
149.04539	5.4
155.03537	3.5
161.04547	12.0
176.34248	1.6
184.44376	1.5
191.05586	3.0
193.12273	11.8
209.06606	8.6
211.13371	1.8
267.15991	3.7
302.67062	1.6
355.17365	2.7
373.18625	11.3
415.19672	59.7
416.19864	4.8
459.22202	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	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56967	0.6
57.03433	0.7
59.01376	100.0
60.01721	0.9
61.98814	0.9
66.13707	0.5
69.03455	0.7
71.01378	13.5
72.99305	0.7
73.02953	3.0
73.99213	0.5
75.00876	1.1
78.43737	0.5
78.91473	0.5
79.95731	1.3
83.01384	1.0
85.02950	4.5
86.05344	0.5
87.00898	0.9
89.02443	2.8
91.24448	0.6
95.01386	1.1
95.95233	0.6
96.96009	6.5
97.03012	0.6
98.19882	2.1
98.95601	3.4
98.96223	0.5
99.00890	1.9
101.02440	7.4
103.00391	0.6
108.81805	0.5
109.14375	0.5
113.02436	5.6
118.99902	0.5
119.03468	1.4
121.02982	2.0
129.01944	0.7
134.03773	0.9
143.03520	1.5
159.03033	1.6
160.01671	1.1
161.04539	12.4
162.04919	0.7
163.71190	0.5
166.24353	0.6
175.04034	1.9
175.89757	0.5
193.04997	0.8
205.03516	0.8
219.83160	0.6
238.98724	0.6
242.63266	0.6
246.08362	1.2
256.99744	1.6
267.27686	0.5
279.02945	1.6
313.09070	1.2
371.11835	5.7
371.62042	1.0
399.23801	13.2
399.28601	1.0
400.24442	1.3
401.08896	1.3
404.19205	0.6
459.17722	8.0
459.27527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99382	1.0
52.18167	1.0
59.01377	100.0
61.98831	3.4
69.70227	6.0
87.13931	0.9
96.96016	1.6
121.02879	1.5
201.85693	0.9
202.23219	1.1
211.13553	1.3
212.17520	1.1
291.19623	1.5
293.17673	2.4
325.20135	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	459.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01376	100.0
60.01711	0.7
61.98840	1.1
62.66965	0.4
63.20798	0.4
66.28898	0.5
71.01379	5.5
72.99313	0.5
73.02950	1.7
79.95725	0.8
83.01377	0.4
85.02940	2.3
87.00900	0.5
89.02441	3.0
90.02555	0.4
93.61741	0.5
95.65085	0.5
96.96005	7.6
98.19814	0.8
98.95557	0.4
99.00874	0.6
101.02435	2.6
101.70285	0.4
102.67340	0.4
103.04029	0.5
113.02457	1.6
119.03505	0.7
125.34211	0.4
129.01933	0.6
130.08725	0.5
131.03593	0.5
134.03781	0.7
138.97124	0.5
161.04594	1.7
165.05551	0.5
165.09055	0.4
167.03569	0.7
191.05663	0.5
195.10271	0.6
209.06763	0.8
241.00348	0.7
262.31216	0.5
339.14459	1.6
357.15375	2.6
358.16037	0.5
399.16559	6.1
400.17181	0.8
459.19159	8.5
460.19543	1.1
460.25427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24790	1.0
58.63695	0.9
59.01377	100.0
61.98808	1.2
63.68172	1.0
71.16672	2.4
77.72417	0.9
92.79546	0.9
127.35471	0.9
132.83553	1.0
159.88336	1.0
166.95720	0.8
169.52979	1.1
217.00452	2.0
227.17198	1.0
279.23242	4.1
297.24350	37.8
298.24615	2.2
339.25363	43.6
340.25742	3.4
444.91376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54172	1.4
57.50904	1.6
59.01374	100.0
61.98819	8.5
71.62449	1.8
87.77395	1.5
96.96002	1.6
158.04243	1.6
198.61943	1.5
217.00279	5.9
279.23297	3.6
297.24307	34.2
298.24530	3.0
336.38220	1.5
339.25351	39.1
340.25845	2.6
374.99335	3.8
457.33282	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	457.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	100.0
69.58695	0.5
69.59092	1.7
80.17176	0.2
81.34220	0.3
82.77680	0.2
83.58989	0.2
99.74693	0.3
121.89296	0.2
130.08725	0.6
145.57791	0.3
251.23514	0.3
307.20499	0.2
394.33545	0.3
457.36462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84732	0.7
53.88811	0.9
59.01376	12.5
66.29098	0.8
69.39739	0.8
71.01377	11.5
71.61713	1.4
72.00902	1.1
72.99310	1.1
73.02940	44.6
74.02451	1.0
78.12473	0.8
78.45018	0.9
78.95901	2.7
79.49620	0.7
85.02943	2.9
87.00887	1.6
88.98769	1.3
89.02436	10.9
92.96008	0.9
95.01382	1.2
96.95990	2.6
96.96980	1.9
99.00872	5.9
101.02429	6.5
113.02439	6.3
116.07179	1.2
116.92834	1.9
116.97267	1.5
117.01929	100.0
118.02276	2.0
118.05099	4.7
119.03480	4.6
123.04526	1.1
128.03508	2.2
133.93402	0.9
134.03700	1.1
135.04489	1.9
138.79063	0.8
149.04527	1.1
151.03992	0.9
151.36714	0.8
153.05556	2.3
159.04694	1.0
161.04568	3.9
179.05560	5.7
221.06633	0.9
278.54089	0.8
279.10828	3.2
315.42413	0.8
341.10791	12.6
342.11212	2.6
371.27057	0.7
459.13361	3.6
459.20816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03438	0.4
58.00581	0.2
59.01374	100.0
60.01718	0.8
62.13583	0.1
69.43030	0.9
71.01377	7.9
72.99309	0.3
73.02943	1.9
75.00852	0.2
79.95735	0.3
83.01386	0.9
85.02943	2.9
86.69601	0.1
87.00877	0.4
89.02441	5.9
91.11739	0.1
93.03430	0.1
95.00821	0.1
95.01362	0.7
96.95999	1.4
97.02973	0.2
97.06612	0.1
98.95597	0.2
99.00873	0.9
101.01766	0.2
101.02437	4.6
104.20367	0.1
109.51653	0.1
111.00926	0.1
113.02438	5.2
113.06143	0.1
119.03493	2.3
119.04982	0.2
120.34589	0.1
125.02469	0.2
129.01949	0.4
131.03522	0.3
137.02470	0.2
138.97018	0.1
143.03519	0.6
149.04578	0.3
149.09727	0.6
149.36234	0.1
153.01952	0.4
158.30917	0.1
159.02972	0.5
161.04535	2.6
171.28282	0.1
179.05620	0.8
190.51131	0.1
193.05128	0.2
237.18500	0.1
241.00218	0.1
310.91379	0.1
397.22318	0.8
415.23303	0.8
457.18011	0.9
457.24130	0.1
457.62656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00106	0.2
55.01876	0.4
57.03450	0.5
58.00586	0.3
59.01376	100.0
60.01708	0.7
69.47063	1.7
71.01376	9.8
72.01733	0.3
72.99293	0.4
73.02941	2.3
79.95728	0.3
81.56764	0.2
81.57296	0.2
83.01376	1.1
83.05043	0.3
83.31290	0.2
85.02940	3.6
87.00858	0.4
89.02439	7.0
89.02992	0.4
90.84070	0.2
95.01392	1.1
96.95979	1.0
97.02903	0.2
97.06602	0.2
98.20586	0.5
99.00906	0.8
101.02438	5.7
101.03075	0.4
113.02441	7.7
119.03482	2.6
119.04186	0.2
131.03584	0.3
141.01970	0.3
143.03519	0.8
149.09795	0.4
152.72131	0.2
153.12796	0.3
159.02982	0.3
161.04547	3.0
161.05670	0.3
179.05579	1.1
397.22144	1.8
413.26334	0.2
415.23346	2.0
457.13916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2591
Annotation	(+)-Lucidenic acid A
Peak:m/z	Relative Intensity
56.02984	0.5
59.01361	1.6
60.00896	0.5
61.98830	0.5
63.41853	0.4
70.29916	0.5
71.05014	1.2
71.62819	0.9
78.95904	1.5
84.86952	0.5
94.75370	0.5
105.03461	0.7
114.94447	0.5
117.03436	1.2
132.02213	0.7
133.02948	20.0
134.03777	1.1
135.04509	6.9
161.02431	100.0
162.02798	3.4
179.03502	1.1
182.44598	0.4
185.07567	0.5
206.62480	0.5
217.00439	0.6
235.34395	0.5
277.21710	0.7
295.22723	8.4
296.23108	1.1
337.21756	1.1
439.25000	1.4
457.25940	36.7
457.33124	7.5
458.26242	3.9
458.32922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82565	0.3
55.01881	0.6
57.03448	0.8
58.00595	0.6
59.01375	100.0
60.01702	0.7
61.98824	0.8
68.05910	0.3
69.03474	0.5
71.01379	15.3
71.63406	0.3
72.99320	0.9
73.02943	11.5
75.00874	0.5
78.74143	0.3
79.95743	1.1
80.96507	0.4
83.01376	2.9
85.02946	4.4
87.00877	0.6
89.02441	6.5
95.01412	1.2
96.96006	6.2
97.02988	0.6
97.03822	0.3
98.95609	1.2
99.00871	0.8
101.02444	11.4
102.47751	0.3
104.24123	0.4
111.70644	0.3
113.02442	11.8
119.03474	2.4
120.99674	0.6
125.02416	0.4
130.08737	0.7
131.03497	0.9
143.03522	1.1
149.04547	0.7
161.04556	3.5
179.05612	0.7
191.05569	0.4
241.00209	0.5
256.99686	0.3
283.64648	0.4
336.18033	0.5
397.22449	1.2
412.11819	0.3
415.23636	0.9
421.20956	1.4
456.62347	0.9
457.17307	3.7
457.63623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26796	0.2
55.01865	0.4
57.03447	0.9
58.00594	0.6
59.01374	100.0
60.01701	0.8
61.98839	0.4
69.03459	0.5
70.76971	0.3
71.01373	14.9
72.99320	0.8
73.02941	5.0
75.00853	0.3
78.95908	0.2
79.95743	0.8
80.96519	0.2
83.01391	1.9
85.02949	6.2
85.03439	0.4
86.19525	0.2
86.79539	0.2
87.00902	0.9
89.02438	9.2
93.03506	0.2
95.01383	1.5
95.95236	0.2
96.96002	5.0
97.02972	0.5
98.95593	0.7
99.00886	1.5
99.33078	0.2
101.01768	0.5
101.02435	9.8
108.02190	0.8
109.02973	0.3
111.00864	0.3
113.02439	12.3
114.02776	0.2
119.03495	3.0
125.02464	0.6
129.01923	0.4
131.03503	0.6
134.03819	0.2
143.03494	1.3
147.11848	0.3
149.04514	0.4
152.01126	1.3
159.03044	0.5
161.04550	3.8
163.07683	0.5
166.57924	0.2
175.02557	0.3
179.05605	1.3
179.86324	0.2
185.02507	0.2
191.05722	0.3
209.06685	0.3
241.00247	0.5
253.18108	0.2
256.99722	0.3
282.08066	0.3
327.13696	0.2
345.29782	0.2
379.21469	0.9
397.22348	4.8
398.22372	0.4
413.13605	0.7
413.18552	0.3
415.23322	4.4
416.23679	0.3
456.62061	1.1
457.13849	2.1
457.21390	0.6
457.30029	0.3
457.63751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66090	0.4
57.10751	0.3
59.01375	2.4
61.98814	0.3
63.62261	0.3
65.24233	0.3
71.01384	1.9
71.62573	0.5
73.02946	0.5
75.00852	1.6
79.95741	4.0
80.96521	1.4
85.02950	1.2
87.00855	0.4
87.04512	1.3
95.95229	3.2
96.96001	70.4
97.08552	0.3
101.02439	1.5
108.45306	0.3
113.02444	1.1
122.97585	1.1
138.97043	1.3
150.97037	2.4
152.98590	0.4
153.01910	0.9
160.01666	0.4
164.98599	0.7
171.60201	0.3
172.91595	0.3
176.02451	0.4
177.04024	0.4
180.98103	1.0
181.20686	0.4
200.82384	0.4
225.00684	1.2
241.00188	4.1
311.97324	0.3
334.90781	0.3
348.26553	0.3
369.12177	51.5
370.12497	3.2
457.17371	100.0
458.17709	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	457.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	16.3
61.98831	0.9
65.95023	0.5
71.01385	4.5
73.02946	0.8
77.06506	0.5
78.95898	1.5
79.95711	0.8
83.01382	0.6
85.02953	3.4
87.00922	0.6
96.96009	5.6
99.04509	23.2
100.04845	0.9
101.02441	2.4
113.02467	1.3
121.02961	0.8
125.02429	0.8
134.03737	1.5
135.04541	1.5
135.08098	0.8
137.06075	19.7
137.07137	1.0
139.07634	0.7
149.06010	0.9
150.06862	4.4
151.07614	2.0
153.05522	0.6
161.04581	2.6
163.07622	2.2
164.08409	100.0
165.09102	8.4
179.07117	14.8
180.07384	0.9
187.82034	0.5
193.05052	2.7
197.30606	0.5
203.05672	1.1
208.07445	0.8
209.06543	0.8
241.00166	1.2
309.13449	1.4
339.86487	0.6
341.86572	0.6
369.15408	1.2
371.13654	1.2
397.11200	0.6
413.14572	6.6
457.13104	4.5
457.22229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	5.9
59.01377	51.6
59.96091	1.4
61.98830	12.0
62.14278	1.5
67.01884	1.7
68.99842	1.8
69.03459	8.8
71.01379	17.8
71.63311	2.4
72.99298	10.8
73.02946	3.5
74.02484	2.4
76.22024	1.4
78.95883	2.1
79.01897	3.7
79.95739	5.9
80.18285	1.4
80.96507	2.4
83.01392	2.9
83.05052	2.3
85.02947	18.8
87.00875	9.6
89.02438	100.0
95.01407	2.2
95.71944	1.5
96.96006	63.9
97.02935	8.0
98.95598	5.7
99.00885	5.4
101.02438	4.8
101.06079	1.5
109.02956	1.7
111.00880	4.0
113.02444	7.0
115.04003	3.3
117.03424	7.5
119.03519	2.0
120.99637	3.0
123.04515	3.8
128.03545	2.6
129.01936	11.5
130.08690	2.3
132.02135	3.8
133.02971	3.1
134.03734	93.0
135.04506	4.6
137.02434	5.0
138.97057	4.4
141.01956	4.9
145.02940	1.6
145.05022	2.6
147.04437	2.0
149.06067	18.8
155.03525	2.5
159.02968	4.0
160.01649	27.2
161.02344	3.1
173.04597	8.0
175.03986	34.9
176.04504	2.0
178.02721	3.2
185.11835	2.8
191.05597	17.7
191.07137	3.4
193.05051	87.0
194.05460	4.1
206.51540	1.5
209.06639	11.0
209.08339	2.2
217.08749	2.7
233.08188	4.2
235.06139	5.8
241.00249	6.5
243.17955	1.5
248.11714	3.5
249.12370	4.0
259.01270	2.8
261.07703	3.4
265.10809	3.5
275.05478	3.5
281.08759	6.2
291.08746	2.4
311.07584	2.7
335.07739	7.1
354.66852	1.9
359.08231	1.4
367.10281	93.5
368.10602	8.0
377.18045	2.1
381.89764	1.7
385.11285	19.0
385.15607	2.3
386.11526	2.3
394.68811	1.6
397.14767	1.6
413.14001	2.6
434.20801	1.7
457.12039	5.0
457.18021	58.7
457.26929	3.4
457.62750	3.3
458.17831	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	456.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06166	0.5
55.51469	0.5
56.37214	0.5
57.03434	2.9
58.00581	0.5
58.25854	0.6
59.01357	2.5
67.01881	0.8
68.99801	0.7
69.03455	2.6
71.01377	5.3
72.99294	2.6
73.60502	0.5
75.00860	0.7
83.01368	1.1
85.02950	10.0
87.00876	3.0
87.04507	1.7
89.02442	1.9
89.08965	0.6
96.95995	6.2
97.02944	5.4
99.00877	3.1
101.02434	1.0
102.05597	19.2
111.00877	1.6
113.02444	1.0
115.04011	1.9
128.03529	1.8
129.01945	6.5
133.02930	1.6
134.03714	2.4
135.04514	100.0
136.04854	3.0
137.97128	0.6
141.01929	2.3
159.02901	1.1
159.74667	0.6
161.02438	7.8
162.02696	0.6
177.04036	0.6
191.05597	5.3
209.06673	2.8
229.69206	0.7
241.00220	0.9
246.07600	1.5
264.08734	18.6
265.09027	1.2
271.05865	0.6
293.08829	0.6
294.08936	1.1
294.11948	11.0
295.12234	1.0
406.11359	2.4
456.15112	59.9
457.15283	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	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43573	0.2
54.93059	0.2
59.01372	1.0
61.98826	100.0
69.49471	0.9
69.49880	0.6
70.27170	0.2
71.01386	0.5
73.14973	0.2
83.44727	0.2
89.02435	0.3
93.03447	0.2
96.96004	3.9
98.20618	0.4
98.95630	0.2
101.02461	0.4
104.03522	0.2
111.00886	0.2
127.02543	0.2
130.08727	0.2
134.03697	0.4
135.04524	0.3
185.59360	0.2
193.05118	0.3
202.31241	0.2
241.00298	0.3
325.91516	0.2
456.16565	1.1
457.17657	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	456.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
59.01378	2.3
61.98832	1.8
67.01875	0.8
68.99813	1.3
69.03440	3.1
71.01376	4.5
71.62495	0.5
72.99316	2.4
73.02945	0.4
79.95718	0.7
80.96510	0.5
83.01387	1.7
84.04521	0.6
85.02946	10.8
87.00890	2.3
87.04519	0.8
88.98775	2.5
89.02429	0.8
95.01407	0.4
96.96009	3.5
97.02943	5.5
99.00867	2.8
101.02458	0.5
102.05601	17.5
107.05018	0.4
107.94505	0.4
111.00873	1.9
113.02473	1.1
115.03989	1.8
127.05138	0.3
128.03542	1.1
129.01929	6.4
130.02245	0.3
133.02917	1.9
134.03813	0.9
135.04514	100.0
136.04854	2.8
141.01962	2.5
159.02969	1.9
161.02423	8.4
161.04512	0.5
164.08437	1.0
170.08192	0.5
191.05615	4.4
209.06613	3.2
241.00299	0.5
246.07616	2.3
256.99786	0.9
264.08728	24.2
265.09109	1.4
294.11938	14.4
295.12115	0.7
306.09790	1.0
320.09937	0.5
406.11523	2.1
456.15057	48.9
457.14734	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	456.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50215	0.4
52.34303	0.4
53.21477	0.4
54.89579	0.4
55.01869	0.7
57.03442	3.1
59.01386	2.2
60.99307	0.8
61.98523	0.4
61.98817	1.9
67.01918	0.7
68.99809	0.9
69.03450	2.7
70.88215	0.4
71.01369	4.2
71.62391	0.4
72.99304	3.0
83.01389	1.2
83.95753	0.5
84.04546	0.4
85.02946	9.8
87.00861	3.0
87.04536	0.9
88.98808	5.0
89.02458	1.2
96.96003	4.8
97.02956	5.2
98.95607	0.5
99.00900	2.3
101.02424	0.7
102.05605	16.1
103.05962	0.7
107.05059	0.5
111.00885	1.9
113.02456	0.4
115.04008	1.4
127.26366	0.4
128.03526	1.4
129.01944	6.8
133.02956	2.0
134.03735	2.0
135.04515	100.0
136.04840	3.3
137.02460	0.5
141.01956	2.4
149.06052	0.6
159.02974	1.1
160.04161	0.4
161.02443	7.7
164.08450	0.5
170.08235	0.9
175.03970	0.4
177.03963	0.4
185.64626	0.5
187.94695	0.4
191.05600	5.4
200.21204	0.5
208.50278	0.3
209.06644	3.3
246.07709	2.8
251.45345	0.4
256.99680	1.4
264.08737	22.9
265.09125	1.7
294.11945	14.6
295.12244	0.8
299.66144	0.4
306.09793	1.1
349.94376	0.4
406.11539	2.2
456.15063	46.5
457.14978	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	455.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
55.02101	0.3
57.03437	2.4
58.00587	0.8
59.01373	44.3
60.01703	0.4
69.03456	1.2
69.42151	1.2
69.42583	1.5
71.01375	21.6
71.05003	0.3
72.99305	1.6
73.02941	8.7
75.00878	0.6
83.01382	4.1
84.02190	0.3
85.02428	0.7
85.02941	11.6
87.00864	1.8
89.02438	3.5
95.01361	1.9
96.95995	1.5
97.02942	0.7
99.00864	3.6
99.04493	1.8
101.02435	12.8
113.02437	9.2
119.03513	1.4
125.02427	0.8
129.01920	0.9
138.10774	0.4
143.03511	0.5
155.83955	0.3
159.02986	0.9
161.04535	2.5
172.28409	0.3
233.15395	0.8
235.16995	15.0
236.17372	1.0
251.16501	4.7
369.22794	0.6
395.20673	6.7
396.21313	0.6
413.21753	16.2
414.22205	1.2
455.22812	100.0
456.23141	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	455.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71108	0.3
61.98827	100.0
69.59515	1.5
69.59935	0.8
115.80606	0.3
130.08755	0.6
184.91512	0.3
455.35352	5.7
456.35519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
56.12690	0.1
56.78183	0.1
59.13357	0.1
61.98830	0.1
64.69981	0.1
65.45788	0.1
69.41264	1.0
109.22629	0.1
407.33041	0.9
408.33463	0.2
443.95911	0.1
455.35245	100.0
456.35602	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	455.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60355	0.4
57.03448	0.6
59.01376	15.1
62.51612	0.3
69.46674	0.6
69.47073	2.1
71.01372	7.8
72.99294	1.1
73.02952	0.9
75.00854	0.7
78.95899	0.5
79.95265	0.6
79.95731	10.9
80.96509	5.1
81.95338	0.5
82.95393	0.6
83.01376	0.7
85.02940	3.2
87.00871	1.6
89.02432	7.2
95.01379	1.0
95.95250	0.8
96.96003	79.9
97.02922	0.5
98.95568	1.0
98.96477	0.3
99.00860	0.5
101.02438	8.2
101.06067	1.6
113.02435	3.8
119.03480	3.1
135.04469	0.5
137.96265	0.9
138.97064	4.1
141.01976	0.5
150.97038	0.9
166.96501	0.8
180.98225	0.4
182.58673	0.4
195.13899	5.4
213.14937	4.2
241.00220	8.8
259.31433	0.4
309.93817	0.4
353.09027	0.4
364.17651	0.3
373.43430	0.4
375.20166	16.4
376.20496	2.0
390.18423	0.4
411.13098	0.5
455.15817	100.0
456.16187	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	455.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.6
59.01374	15.7
60.83170	0.5
71.01376	6.9
71.38688	0.5
72.99290	0.8
73.02932	0.8
79.95740	3.4
80.96517	2.1
83.01406	0.7
85.02947	2.2
87.00870	0.7
89.02436	9.4
95.01373	0.8
95.95234	1.2
96.96004	60.8
101.02436	8.7
113.02434	4.7
119.03501	4.0
122.97540	1.0
133.61423	0.4
138.97081	1.3
150.97113	1.0
164.98633	0.7
166.40230	0.4
180.98122	0.6
183.13882	0.6
195.13876	6.2
213.14993	2.5
241.00250	5.7
272.40564	0.5
322.51105	0.5
350.26636	0.5
357.19064	0.6
375.20197	19.7
376.20505	1.8
396.71323	0.5
455.15869	100.0
456.16165	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	455.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
57.03436	1.9
59.01137	1.9
59.01381	22.1
61.98827	7.1
66.91833	1.6
69.03459	1.6
71.01382	45.3
71.05015	2.9
71.15970	2.0
71.16287	1.7
73.02946	14.5
75.00866	2.3
78.95900	4.0
83.01369	4.7
83.05027	3.0
85.02949	18.3
88.98801	3.2
89.02441	21.7
95.01376	3.8
96.96008	38.4
96.96979	4.7
97.02940	2.6
98.95590	2.4
99.00883	10.2
101.02444	26.5
101.06083	8.8
101.69381	1.3
109.02938	2.3
111.00928	2.5
113.02431	17.0
115.03987	2.1
119.03474	2.2
120.01299	2.1
123.03265	2.1
123.04521	1.6
125.02424	5.5
128.03488	3.2
131.03537	2.6
134.06189	1.8
135.04510	6.1
138.05591	10.4
143.03452	3.6
149.04558	5.3
159.02933	3.5
161.04547	13.9
164.07146	3.5
182.04446	1.5
205.22440	1.5
233.06721	2.7
233.12941	1.9
263.11288	10.5
293.08664	3.6
332.41516	1.3
335.13010	2.0
341.10724	2.2
395.15567	100.0
396.15781	5.9
455.07980	2.1
455.12527	3.0
455.35126	4.7
472.22537	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	455.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30734	0.3
57.03441	0.5
59.01372	6.9
61.98826	1.6
69.03452	0.5
69.87133	0.6
69.87534	0.9
71.01377	4.4
72.99300	1.2
73.02930	0.9
75.00851	0.3
78.95884	0.4
79.95735	10.7
80.96509	5.5
83.01385	0.8
83.04970	0.3
85.02939	2.0
87.00845	1.6
87.04474	0.5
89.02431	1.3
94.98054	0.3
95.01369	0.5
95.95225	0.7
96.96003	92.3
97.02927	0.4
98.95602	1.8
99.00885	0.9
101.02431	3.4
109.02924	1.5
111.00893	1.6
113.02441	1.9
119.03457	0.4
122.97627	0.4
127.00348	0.5
129.01903	1.0
130.08694	0.7
134.03764	0.4
137.02464	1.0
137.96248	1.3
138.97070	4.2
143.03433	0.5
150.97037	0.9
151.11226	0.7
153.01950	0.6
165.99042	0.5
166.96582	0.6
172.92644	0.4
183.13821	0.5
191.05588	0.6
193.05000	0.3
238.98633	1.6
241.00215	10.7
242.00456	0.4
256.99707	4.6
263.12878	0.6
305.06802	0.4
323.03873	0.4
334.69534	0.4
335.11844	0.5
353.08499	0.7
360.04617	0.4
375.07117	1.6
375.20395	0.9
437.14886	0.4
455.15875	100.0
456.11435	1.9
456.16827	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	455.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44981	0.7
57.03447	2.4
58.00592	0.6
59.01087	1.4
59.01378	19.9
61.98803	0.9
67.01877	1.2
68.99831	1.2
69.03458	0.8
71.01380	18.2
71.62889	0.7
72.99306	6.6
73.02953	2.2
74.96497	0.6
75.00871	23.5
76.72800	0.7
78.95914	0.8
83.01395	1.2
85.02943	26.6
87.00872	7.3
88.98799	0.8
89.02453	4.9
91.16853	0.7
95.01382	6.0
96.96015	7.2
99.00874	14.8
101.02422	0.8
101.06079	42.8
103.00394	3.4
111.00867	1.8
113.02444	33.8
114.02771	0.9
114.80380	0.7
115.00369	3.3
117.01956	3.7
121.02947	100.0
121.34752	0.7
122.03280	2.4
126.90376	2.3
129.01935	3.7
135.04507	0.9
139.00389	0.7
157.01372	1.9
161.02434	0.9
162.89365	1.0
175.02429	5.2
231.05026	2.7
241.00128	0.9
249.06139	10.5
263.65518	0.6
265.83698	0.7
283.06363	0.8
333.11960	5.5
353.08493	3.3
365.16541	1.2
371.09860	7.3
395.13599	0.8
437.14236	1.1
455.15448	76.6
455.35123	6.1
456.15878	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	455.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67180	0.5
55.01855	0.8
57.03432	1.3
59.01375	8.0
60.97728	0.6
61.98819	3.5
71.01379	5.8
71.62991	1.2
72.99307	0.8
73.02924	1.6
75.00859	1.2
79.95734	31.6
80.96507	9.8
83.01386	2.0
83.41624	0.6
85.02954	3.0
87.00867	4.6
88.98802	3.4
89.02434	2.1
93.20644	0.6
94.98071	1.9
95.95216	7.6
96.96003	76.1
98.95576	1.9
98.96304	0.5
99.00877	3.4
101.02425	2.3
103.00385	0.8
111.00864	7.8
113.02430	2.1
115.00359	1.2
120.96014	1.1
127.00352	1.4
128.03571	0.9
129.01949	4.9
133.02962	1.2
134.03656	0.8
135.04495	1.2
137.02461	0.7
138.97029	4.4
143.03500	0.6
150.97031	1.0
152.85515	0.6
154.96527	0.7
159.02959	2.1
160.04079	0.7
161.04530	0.7
166.96527	0.8
176.01103	0.8
177.01912	0.7
177.04005	0.6
189.01901	3.2
191.03477	1.5
192.98137	0.8
210.99219	1.6
213.54057	0.6
225.11343	1.2
238.98645	11.8
239.98903	0.7
241.00208	14.6
256.99701	28.8
257.99896	0.8
305.06970	5.4
327.12820	0.7
335.09406	0.7
455.15997	100.0
456.16302	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	455.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67805	0.4
57.03421	0.7
59.01376	6.5
61.98819	1.4
64.99594	0.5
69.03453	0.5
71.01370	4.2
71.63194	0.6
72.99305	0.8
73.02938	1.4
75.00874	0.5
79.95730	5.5
80.96513	3.6
83.01376	0.9
85.02940	1.9
87.00879	1.5
89.02460	1.5
91.01924	0.6
95.95203	0.5
96.52158	0.5
96.96002	100.0
98.95574	2.5
99.00890	1.0
101.02451	3.0
106.59521	0.4
108.02050	0.4
113.02456	1.8
119.03518	0.6
121.02888	0.4
122.97551	0.7
123.69543	0.4
125.36784	0.4
128.41832	0.5
135.00838	2.0
137.33104	0.4
138.97069	8.5
139.39796	0.5
143.03520	0.7
149.02568	0.4
150.97040	1.3
153.01913	0.5
163.11121	0.4
164.98593	0.8
168.98067	0.9
169.06583	0.5
180.98103	0.8
196.62045	0.5
213.05556	12.0
213.14912	1.2
214.05930	0.8
220.09132	0.6
222.99146	1.7
241.00208	39.0
242.00456	1.1
255.06436	0.8
256.99655	1.1
267.59256	0.5
285.07562	0.6
368.73355	0.4
375.07199	0.7
375.20096	2.7
454.18069	0.5
455.06519	32.3
455.16095	21.4
455.35254	1.8
456.06564	3.2
456.16458	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	455.132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	7.3
59.01142	3.1
59.01377	28.4
61.98822	27.9
71.01382	28.4
71.61670	5.1
72.99327	6.1
73.02940	7.9
74.97219	3.3
78.95924	4.2
79.95715	8.6
80.96512	3.7
82.28777	3.3
85.02945	16.9
85.84055	3.2
87.00883	9.5
88.98808	7.8
89.02453	20.8
95.01395	5.4
96.95998	64.0
96.96963	6.7
98.95593	4.4
99.00859	6.8
100.03996	4.2
101.02425	17.1
102.05597	13.4
105.24877	3.7
109.02924	4.2
111.00821	5.1
113.02463	15.8
115.04017	4.1
116.05087	5.8
119.03449	3.7
129.02002	9.2
131.07121	13.9
135.04510	100.0
135.05484	6.8
137.02451	7.7
142.06607	12.3
144.04536	15.0
146.06110	5.3
158.06093	22.4
161.02448	5.6
169.07680	5.0
170.06084	21.1
185.04816	10.1
191.05582	6.1
202.05081	4.4
209.06616	8.9
211.08670	5.8
229.09830	4.6
241.00168	5.2
246.07758	4.3
256.99911	3.8
264.08777	21.5
273.08783	12.4
291.09833	11.2
294.12057	4.6
303.09708	21.0
321.10992	7.8
364.67618	3.5
375.16290	4.1
381.69232	4.2
411.13898	12.1
419.15677	27.7
437.00266	4.5
455.12146	46.9
455.17767	38.6
455.35602	6.5
456.15033	36.3
462.48651	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	453.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98825	100.0
62.99306	0.3
71.46636	0.5
80.78526	0.2
95.66967	0.3
96.70473	0.2
115.92060	1.8
136.47821	0.3
146.27295	0.2
453.34628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3357
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
56.66383	0.3
59.01361	0.4
77.57601	0.4
95.39703	0.3
129.24695	0.4
143.03514	0.4
144.38597	0.4
173.04568	0.4
181.37025	0.3
196.51601	0.4
279.23251	12.3
280.23453	0.8
340.27173	0.3
405.31314	0.5
407.33115	2.0
419.26450	0.4
453.33685	100.0
454.34027	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	454.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32940	0.5
53.72028	0.7
59.01386	4.1
61.98824	100.0
68.30827	0.5
71.62376	0.5
72.99299	1.0
75.00862	0.9
79.95736	0.7
96.96018	2.1
109.30205	0.7
181.98430	0.7
307.85916	0.5
311.38858	0.6
322.03879	0.6
365.45956	0.7
455.18588	0.9
455.35382	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	454.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
60.17630	0.7
61.98824	100.0
64.97398	0.6
78.95937	0.8
79.86048	0.7
80.13231	0.8
98.20625	0.7
211.67860	0.7
278.90735	0.7
324.74780	0.7
350.73904	0.7
359.14026	0.6
455.35284	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39685	1.3
55.01879	3.3
57.03433	2.6
59.01374	28.0
61.98827	29.8
63.66796	1.4
66.17433	1.4
69.57805	1.5
71.00996	1.6
71.01385	28.9
71.63181	2.7
72.99299	4.3
73.02945	15.5
75.00867	3.7
75.19080	1.5
77.96003	1.6
79.86774	1.4
79.95724	4.2
80.96507	2.5
83.01383	5.7
85.02938	19.6
87.00857	6.0
89.02435	10.9
96.96004	48.4
97.02944	1.9
99.00855	6.4
101.02440	33.3
105.59113	1.4
108.49265	1.3
111.00854	1.8
113.02432	13.4
117.86439	1.7
120.99638	10.3
121.02927	3.9
128.21280	1.5
129.01897	3.0
130.32474	1.4
131.03488	2.8
135.04518	25.4
136.04860	13.4
138.97017	3.4
159.03021	3.8
161.02490	1.8
161.04556	14.2
180.04254	1.7
195.06627	2.5
195.40926	1.4
211.06082	2.2
233.06577	1.9
238.98604	2.7
241.00282	14.9
248.09146	4.9
249.06259	3.4
249.09657	8.0
256.99600	4.8
261.13397	28.8
318.89288	1.9
371.09796	4.1
390.18463	5.3
393.17612	100.0
394.18109	7.9
453.10159	10.7
453.14462	15.1
453.20096	4.5
453.24057	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	453.2338
Annotation	Tenovin-6
Peak:m/z	Relative Intensity
55.01867	1.8
57.03432	1.8
58.00572	0.9
59.01379	42.6
61.80990	0.8
61.98826	18.7
71.01377	15.1
71.62810	0.7
71.63201	0.8
72.99287	1.0
73.02938	7.3
79.95732	2.8
80.96519	0.8
83.01373	3.7
84.29002	0.7
85.02944	27.9
87.00868	1.8
89.02425	4.4
95.01319	1.7
95.95226	1.7
96.96003	38.3
99.00870	5.3
101.02437	18.2
111.00883	2.0
112.20848	0.7
113.02449	7.5
120.99689	1.9
129.01901	1.6
135.04495	2.7
135.77036	0.9
136.04848	0.8
143.03503	0.9
149.04541	1.1
153.01921	3.3
159.02997	1.6
160.04047	1.3
161.04550	2.7
187.13373	2.6
217.19305	0.7
226.66986	0.8
241.00160	1.9
256.99826	1.3
292.11838	1.0
334.09036	0.8
349.18579	9.8
357.19150	2.2
363.13748	0.8
417.21194	4.1
435.22195	2.7
453.10513	5.9
453.17877	12.3
453.23389	100.0
454.10678	0.8
454.23590	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	453.262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26487	17.8
59.01379	23.2
61.98825	86.0
63.05998	20.3
63.99249	19.4
65.11464	18.1
70.95398	24.3
120.14453	18.7
123.39128	20.7
124.92707	18.0
175.07742	21.7
294.97580	18.9
318.08078	21.7
364.03818	17.8
453.29541	100.0
467.18274	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	453.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37347	3.2
59.01362	7.5
61.98835	15.7
64.14364	3.0
69.63720	23.2
71.01369	11.9
87.98246	3.1
96.71637	3.2
98.20684	6.3
123.04529	18.9
124.04831	12.8
125.90372	3.3
185.09428	3.3
255.23296	89.0
269.24948	7.1
279.23361	4.0
297.24234	5.7
415.30432	100.0
416.30865	6.2
417.30630	5.9
453.26477	6.5
453.33859	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1794
Annotation	Trp-Lys-OH
Peak:m/z	Relative Intensity
59.01379	0.5
65.55942	0.2
70.96963	0.5
71.01372	0.5
71.59267	0.2
73.03700	0.2
79.95731	2.0
80.96507	0.8
85.02938	0.5
87.89450	0.2
95.95214	1.5
96.96001	41.1
99.81873	0.2
101.02431	0.6
111.92414	0.2
113.02449	0.3
122.29759	0.2
122.97553	0.7
138.97041	1.3
150.97058	1.1
158.13597	0.2
180.98123	0.6
198.99138	0.4
225.00632	0.3
241.00200	3.0
256.99774	0.3
299.04263	0.4
403.15955	0.2
421.15314	0.3
453.17935	100.0
454.18237	11.0
454.24692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38012	0.3
57.03429	0.3
59.01379	0.7
61.98814	0.4
69.39556	1.4
69.39977	0.9
70.09696	0.3
70.49268	0.2
71.01378	1.4
72.99318	0.5
73.02945	0.6
79.80210	0.3
79.95734	10.2
80.96517	4.5
83.01369	0.6
85.02950	1.2
87.00881	1.1
95.95231	0.5
96.96005	66.8
98.95647	0.3
101.02430	2.1
113.02448	1.1
122.97568	0.5
137.96278	1.1
138.97058	4.0
150.97073	1.1
153.01738	0.2
166.96544	0.6
180.98116	0.3
194.61575	0.3
237.50952	0.4
241.00223	10.4
242.00496	0.5
256.99771	0.8
288.38229	0.3
356.71472	0.3
453.17990	100.0
454.18262	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	453.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05484	0.5
61.98815	0.9
71.01379	9.0
71.62636	0.5
81.85131	0.5
83.64468	0.6
92.60501	0.5
93.64480	0.6
99.00919	0.7
99.55659	0.5
99.61613	0.5
99.92574	28.9
100.92667	0.9
100.93364	4.1
115.92067	100.0
116.92117	4.1
116.92848	66.2
117.92846	2.1
126.94974	0.8
132.92307	0.8
144.95984	1.9
172.95448	47.6
173.95628	1.5
182.35446	0.6
186.93385	0.6
215.49631	0.6
255.23248	2.1
279.23257	2.9
291.63751	0.5
303.71832	0.6
324.56339	0.5
379.15768	1.7
395.15222	1.4
435.18268	1.1
450.29947	0.6
453.19516	9.2
453.33679	1.7
454.19769	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	453.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68314	0.3
55.63020	0.3
61.98817	0.7
63.79425	0.2
67.01691	0.3
71.52102	0.5
96.63075	0.3
99.92574	5.5
100.93356	3.8
105.53253	0.3
115.92074	100.0
116.92081	3.6
116.92859	5.8
132.92351	1.2
137.31940	0.4
172.95448	5.3
188.09079	0.3
190.88846	0.3
255.23389	0.4
279.23325	0.8
379.15897	0.6
405.17587	1.1
435.18634	0.9
453.19574	3.7
453.34079	0.6
454.19672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03442	1.1
59.01373	7.5
61.98825	3.8
71.01376	6.9
72.99292	1.1
73.02938	1.9
79.95731	23.2
80.96516	8.6
81.95324	1.9
82.96097	1.0
83.01373	1.4
85.02936	2.1
86.39484	0.4
87.00878	2.3
89.02450	5.0
94.98048	0.5
95.01373	0.7
95.95227	7.5
96.96001	100.0
97.95963	0.8
98.95583	12.6
98.96416	2.1
99.00877	2.6
101.02430	4.8
103.00340	0.4
111.00865	5.8
113.02428	2.4
115.00340	0.5
119.03494	0.9
120.96008	0.5
122.97498	0.9
125.02435	0.5
127.00365	1.1
129.01936	3.0
131.03499	0.9
135.04492	0.9
137.02489	0.5
138.97046	5.7
140.96574	0.7
149.04556	1.8
150.97035	1.9
154.96561	0.4
159.02957	1.5
165.01852	3.0
166.96568	0.7
168.98010	0.6
177.04088	0.8
180.04218	2.1
180.98282	0.7
191.05536	0.7
195.06610	4.6
196.06931	0.5
197.64836	0.4
198.99092	0.5
200.77286	0.4
210.99147	1.2
225.00587	0.5
225.07652	1.2
238.98642	7.9
241.00226	11.8
242.00481	0.7
242.99899	2.0
256.99722	18.6
322.13037	1.4
369.49924	0.4
393.17505	1.6
453.17648	74.1
454.18457	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	452.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98812	0.4
63.33195	0.3
70.03582	1.3
72.77203	0.3
75.08128	0.3
78.95901	6.3
98.20547	0.5
131.47699	0.3
140.01149	1.8
145.28862	0.3
147.33722	0.3
152.91707	0.3
152.99542	1.4
154.90555	0.4
171.00635	0.3
196.03751	0.4
214.04820	1.8
255.23274	100.0
256.23602	6.8
269.07037	0.4
349.16779	0.4
393.19589	7.4
452.27774	11.2
453.28131	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96392	0.3
69.17888	0.2
71.09961	0.4
71.10297	0.2
72.22820	0.2
78.95898	22.0
96.96964	0.2
122.00134	0.8
134.98528	0.3
140.01176	5.2
143.78552	0.2
152.99554	2.0
166.02702	0.3
171.00681	1.1
180.84085	0.2
196.03775	8.6
197.04137	0.2
214.04843	2.1
237.22078	0.2
239.74493	0.2
248.88351	0.2
255.23273	100.0
256.23618	5.7
297.32764	0.2
452.27771	34.1
453.28058	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	452.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14329	1.6
61.98824	100.0
69.89704	6.7
96.15793	1.2
98.20565	2.1
115.17421	1.3
144.29419	1.3
281.24857	15.7
316.07239	1.4
417.30148	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	453.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	4.3
61.98839	1.0
62.35502	0.8
64.33012	0.7
65.09798	0.8
67.05910	0.7
71.01386	1.5
71.02942	0.8
71.62267	0.9
72.99316	0.9
74.86285	0.8
78.95896	1.1
79.95747	3.5
80.79836	0.9
80.96519	0.9
85.02962	1.1
88.04037	0.7
95.95221	1.2
96.96008	12.1
123.00928	1.0
131.52669	0.8
136.98795	1.0
151.00356	1.0
152.99619	1.2
160.89200	1.9
161.02365	0.8
162.03444	0.7
209.06401	1.1
228.04251	1.2
241.01291	2.8
255.02753	1.1
256.03732	3.0
257.00040	1.1
265.05298	1.0
269.00897	2.2
271.02786	0.8
272.03262	1.8
283.06335	2.2
285.00433	9.2
297.00406	3.8
300.02698	6.2
304.02356	1.4
312.02850	1.5
312.99857	4.3
315.05008	6.8
316.05527	1.0
328.02283	6.8
343.04538	17.9
358.06900	68.0
359.07220	3.7
373.09229	100.0
374.09637	9.6
414.21698	1.0
417.11365	4.8
452.47208	2.0
452.80289	1.0
453.04880	6.7
453.11865	1.3
453.17914	3.3
453.67850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99360	0.3
59.01379	1.5
60.30512	0.3
61.98825	100.0
71.01385	1.3
71.62433	0.4
71.62851	0.5
75.00867	0.9
82.95412	0.5
85.02953	0.5
87.00900	0.6
88.98819	1.0
89.02426	0.9
96.96014	4.6
98.95638	0.4
101.02460	0.7
113.02467	0.4
120.01257	1.3
120.99586	0.3
135.04500	3.9
136.04912	0.6
145.83504	0.4
149.02469	0.5
157.47238	0.4
165.01976	0.6
165.05597	1.2
166.23967	0.3
180.04300	0.5
191.05621	0.4
195.06610	1.0
241.00230	0.7
248.09271	1.4
252.11450	0.5
272.09113	0.6
299.77893	0.4
341.02969	0.4
351.39386	0.4
370.59167	0.9
453.10345	1.2
453.15213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07486	0.4
59.01371	1.5
61.98825	100.0
71.01379	1.1
71.62097	0.5
75.00885	0.5
78.95900	0.9
85.50152	0.5
89.02449	0.6
96.96011	6.9
96.96976	1.5
101.02457	0.6
113.02384	0.5
127.27032	0.4
129.01944	0.5
135.04523	1.1
137.48480	0.4
181.05078	0.6
187.00084	0.6
194.15227	0.4
230.11340	0.5
248.09099	0.6
249.12453	0.7
330.18033	0.6
373.11383	0.6
452.09491	0.9
453.07004	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	452.2651
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
56.84801	0.5
57.03424	0.6
59.01373	4.0
61.98829	1.2
71.01379	15.7
71.61979	0.6
73.28687	0.5
87.04507	8.2
88.04038	84.7
89.04391	1.1
90.87257	0.5
96.96001	1.6
98.06123	2.6
105.30400	0.5
114.01973	1.4
115.00376	14.8
132.03020	30.3
147.85657	0.5
152.14674	0.5
162.78036	0.5
184.82162	0.5
202.62863	0.5
220.14581	0.5
243.35941	0.5
248.20117	1.0
280.84708	0.7
336.25500	2.5
337.23758	5.8
394.14505	0.8
408.27603	3.7
452.26505	100.0
453.20932	1.4
453.26767	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	451.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61057	1.2
52.92950	1.2
53.28852	1.1
59.01376	5.5
60.60138	1.0
61.98852	1.4
70.03093	7.2
73.37316	1.3
75.00864	1.2
78.41486	1.3
78.95911	12.7
79.87048	1.1
87.34797	1.1
93.03487	1.2
95.05021	4.3
96.96009	4.7
109.06492	1.4
114.14637	1.4
121.10231	3.7
130.73805	1.2
152.99590	9.7
156.90292	2.5
171.00655	1.9
174.99310	1.4
196.03743	2.3
226.01680	2.6
253.21648	12.5
254.22047	22.4
265.03909	4.5
269.07022	10.1
270.00510	2.1
275.20111	1.7
279.05338	1.6
293.06989	1.9
313.23001	1.3
354.09808	5.1
375.74182	1.3
391.17990	100.0
392.18335	7.3
451.11102	2.6
451.26041	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	451.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.0
70.46831	0.2
70.80361	0.1
71.01376	0.9
72.99298	0.4
73.02928	0.3
75.00852	0.2
79.95258	0.4
79.95728	6.3
80.96507	2.1
83.01375	0.3
83.34087	0.2
85.02948	0.5
87.00864	0.4
89.02419	0.2
95.95226	4.8
96.96001	55.9
98.95583	0.2
101.02442	0.9
109.90685	0.1
122.97567	0.6
138.97049	2.3
141.95796	0.5
150.97040	1.1
154.67287	0.2
164.98622	0.3
180.98100	0.6
182.99728	0.2
198.99208	0.4
225.00708	2.2
241.00203	5.2
242.00706	0.1
256.99646	0.3
259.01276	0.6
294.29883	0.2
381.32916	0.2
413.00992	0.2
451.16367	100.0
452.16690	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	451.1641
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
55.33815	0.3
59.01369	1.7
60.55179	0.3
61.98818	1.3
62.46781	0.3
69.50974	1.9
69.51377	0.7
71.01376	2.3
72.99299	0.6
73.02953	0.8
75.00865	0.4
79.95732	13.0
80.96507	4.7
81.42082	0.3
81.95332	0.3
83.01361	0.8
83.05038	0.6
85.02957	1.3
87.00867	0.9
89.02468	0.4
90.10757	0.3
95.95222	1.6
96.96003	73.6
97.95930	0.4
98.95595	2.4
101.02454	3.2
111.00890	1.0
113.02451	1.4
122.97548	0.9
129.01915	0.8
137.96317	0.8
138.97072	5.1
150.97057	1.0
157.90404	0.3
159.02966	0.5
166.96510	0.7
177.03981	0.8
180.98122	0.7
186.05043	0.3
238.98651	1.7
241.00214	12.0
242.00497	0.4
242.99738	0.5
256.99710	4.5
258.00116	0.4
344.41803	0.4
395.09897	0.6
450.50763	0.3
451.16370	100.0
451.32687	1.8
452.16721	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	451.1637
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
55.93649	0.3
59.01376	2.3
61.98825	0.3
70.87888	0.2
71.01368	1.3
71.22306	0.5
79.95731	3.0
80.96507	1.1
85.02946	0.7
89.02435	0.7
89.12836	0.2
95.95222	1.5
96.96005	67.3
100.47574	0.2
101.02422	0.9
105.58415	0.2
122.97559	0.9
127.96890	0.2
138.97055	2.8
150.97066	1.1
163.03662	0.2
164.98599	0.5
177.04050	0.6
180.98079	1.0
198.99213	1.1
241.00227	3.0
256.99713	1.1
259.01215	0.3
270.89282	0.2
299.64233	0.3
344.96844	0.3
451.16385	100.0
452.16739	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.4
60.16480	0.2
61.98818	2.2
71.01375	1.9
71.63197	0.3
72.99305	0.3
73.02918	0.5
75.00845	0.5
75.61816	0.3
78.81231	0.2
79.95730	3.4
80.96503	1.2
83.01362	0.3
85.02942	0.9
87.00888	0.3
88.57226	0.2
89.02440	0.9
95.01383	0.2
95.95214	2.9
96.96003	57.9
98.20591	0.3
99.00867	0.4
101.02410	1.6
103.18425	0.2
111.00936	0.3
113.02440	1.0
119.03555	0.2
120.99660	0.3
122.97550	0.7
134.97037	0.2
138.97061	2.7
139.73209	0.2
150.97040	1.1
151.97816	0.4
164.98607	0.4
168.98004	0.3
177.04028	1.4
180.98088	0.4
194.99860	0.3
198.99165	1.7
215.76820	0.2
222.99149	0.4
235.13258	0.3
241.00208	3.2
256.99637	2.0
259.01212	0.6
271.09473	0.8
308.71326	0.3
311.55420	0.3
339.31110	0.2
395.10229	2.3
427.85028	0.3
451.16367	100.0
452.16748	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	451.1637
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
59.01379	1.0
71.01376	2.3
72.99343	0.5
73.02942	0.6
79.95732	12.6
80.96502	4.6
83.01392	1.0
85.02934	1.1
86.38291	0.4
87.00875	1.5
88.98770	0.4
94.98062	0.4
95.95242	0.5
96.96003	64.0
98.36837	0.4
99.00906	0.6
101.02422	2.7
111.00865	1.4
113.02442	1.7
115.00417	0.4
122.97587	0.6
125.07724	0.4
129.01892	0.7
137.96295	1.3
138.97052	4.8
142.53333	0.4
150.97047	1.4
166.96521	1.0
180.98123	0.5
238.98726	2.9
241.00224	13.5
256.99701	5.5
289.77078	0.4
344.13712	0.4
395.09970	1.9
415.22433	0.4
451.16397	100.0
452.16833	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	451.164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.83789	0.3
59.01368	0.9
71.01380	1.6
72.14846	0.2
72.99285	0.3
73.02926	0.3
76.74023	0.2
79.95731	10.5
80.96509	4.3
81.21320	0.2
83.01398	0.4
83.25407	0.3
85.02932	1.2
87.00873	0.9
95.95193	1.3
96.96003	63.5
98.68164	0.3
99.00887	0.4
101.02444	2.2
113.02439	1.2
122.97543	0.4
125.02369	0.3
129.01894	0.4
137.96298	0.6
138.97075	4.7
150.97046	1.0
161.31659	0.3
166.96594	0.5
180.98302	0.3
238.98599	0.6
241.00220	13.0
242.00635	0.4
256.99722	2.1
260.38922	0.3
451.16406	100.0
452.16742	8.9
474.80118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1637
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
52.06631	0.3
52.55510	0.2
59.01371	0.9
61.27448	0.2
64.88703	0.3
71.01382	1.0
71.08102	0.4
73.02916	0.3
79.95737	3.0
80.96536	1.4
85.02937	0.6
95.16761	0.2
95.95228	3.1
96.96004	57.3
97.79891	0.2
101.02443	0.8
122.97562	0.6
125.05325	0.2
136.03703	0.2
138.97067	1.3
150.97095	1.3
164.98604	0.4
168.98099	0.3
177.04068	1.2
180.98112	0.7
198.99155	0.5
225.00723	0.9
241.00169	3.3
256.99661	2.0
287.12695	0.2
293.26147	0.3
451.16382	100.0
452.16727	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32808	0.3
55.92291	0.3
56.01765	0.3
59.01365	0.4
61.98806	0.4
70.90052	0.6
71.01360	0.3
78.95901	27.1
79.95741	2.8
96.95996	100.0
96.96942	52.0
98.02477	0.5
99.38616	0.3
107.83209	0.3
155.92955	0.3
191.05528	0.4
197.62196	0.3
241.00227	1.1
295.03650	0.3
312.69028	0.3
451.09332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82851	0.9
55.31102	1.0
59.01382	10.2
61.98828	45.8
62.74460	1.0
64.08624	0.9
68.99477	1.0
68.99818	4.5
70.12093	4.1
71.01369	4.1
72.99287	2.1
85.02929	1.7
86.02445	1.0
87.00864	2.4
89.02407	1.9
92.17220	1.0
95.01337	1.5
96.96014	7.4
97.02929	1.1
98.02473	2.7
101.02457	1.7
103.00368	4.0
108.02184	9.2
109.02935	1.3
111.00909	1.3
113.02428	1.6
116.05031	2.0
121.02939	1.2
122.03719	2.1
123.00883	8.7
123.04496	8.0
124.01700	0.9
124.74011	1.1
125.02419	1.6
126.40060	1.0
127.99375	1.1
132.02225	2.0
134.03728	3.5
135.04514	30.1
137.02440	4.2
138.03220	14.3
140.03520	2.3
145.02911	1.1
148.01662	4.7
149.02490	1.3
150.03174	7.7
151.00371	7.2
151.03996	2.0
152.01147	3.7
152.04761	1.7
153.01904	5.7
153.05566	12.0
158.04573	1.1
158.99487	1.0
161.02432	16.9
162.03221	25.8
163.00281	1.5
163.03885	3.2
164.01112	1.7
165.01924	15.2
166.02716	10.8
168.04271	14.6
175.03998	1.3
176.01146	2.3
177.01958	7.2
177.05548	34.4
178.02696	12.0
178.05916	1.9
179.03490	5.7
180.04263	24.8
181.01414	52.7
181.04977	12.6
182.01842	1.3
193.01358	2.2
193.05022	22.9
194.02194	7.2
194.05705	3.8
195.02907	1.1
195.04778	2.1
195.06602	52.4
196.03748	70.8
197.04132	3.3
203.08151	1.3
211.06091	100.0
212.06458	5.6
221.04642	1.3
221.20967	0.9
225.03983	3.5
227.08136	1.1
229.95644	1.0
240.04225	2.2
241.00180	1.6
245.09227	2.4
248.09193	14.4
287.10367	4.3
295.06100	2.9
298.08423	4.0
310.08612	1.8
313.10895	4.6
314.82816	1.1
325.10687	2.8
345.09537	1.5
347.11349	2.0
361.12894	4.8
373.12744	4.1
389.12427	7.8
389.18091	6.8
407.13263	6.5
421.11469	12.4
422.11954	1.7
451.12503	27.6
451.21933	5.9
452.12909	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	450.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
61.98823	0.9
62.96386	0.4
71.01377	0.3
78.95899	21.2
80.24886	0.3
96.96029	0.5
96.96983	0.4
122.00125	0.6
134.98520	0.4
140.01170	5.7
152.99556	3.0
166.02798	0.3
171.00574	0.4
182.37895	0.3
196.03787	10.5
209.09859	0.3
214.04840	3.1
235.20660	0.8
253.21696	100.0
254.22040	7.1
254.24150	0.2
264.52237	0.3
450.26205	28.6
451.26508	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	451.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94718	0.6
59.01382	3.1
61.98827	23.0
70.17133	3.0
71.01381	2.1
72.61686	0.6
79.95721	3.3
80.96497	1.6
85.02947	1.5
87.00871	1.7
89.02394	0.7
96.96003	100.0
98.19921	0.8
101.02422	1.6
117.66969	0.6
135.04459	0.8
161.02370	1.0
164.11546	0.9
181.01382	1.2
195.06448	1.0
196.03725	1.5
211.06039	1.2
241.00214	42.6
242.00566	1.2
345.34579	0.6
387.16171	0.6
388.16864	6.3
405.63446	0.7
451.09000	44.8
452.09546	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	450.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25741	0.5
59.01090	1.0
59.01377	16.1
61.98827	100.0
71.01379	3.1
74.99139	0.6
79.65958	0.6
85.02936	0.6
89.02438	5.0
96.96021	0.8
101.02459	2.3
113.02491	1.3
119.03520	1.3
149.08978	0.6
155.17078	0.6
163.11293	1.4
207.10307	2.6
211.06053	0.7
219.39639	0.7
243.80702	0.7
265.17255	0.6
350.15958	0.7
387.16580	43.6
388.17120	3.2
451.12692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.6
61.98827	100.0
63.99240	0.6
69.77708	0.2
69.83098	0.3
69.83389	1.2
71.01389	0.9
85.02978	0.5
89.02433	0.9
90.96680	0.3
94.34560	0.2
96.95992	1.1
101.02466	0.5
113.02414	0.3
119.03503	0.4
140.19490	0.2
163.11301	0.6
165.33514	0.3
240.04321	0.6
241.00288	0.3
295.06223	0.4
298.08521	0.4
313.10910	0.7
325.10812	0.5
361.12738	0.5
373.13083	0.6
387.16553	8.3
388.16986	0.5
390.21759	0.3
449.61493	0.4
450.11380	0.3
451.12915	0.5
451.21970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98826	100.0
62.05516	0.2
70.59901	0.1
71.01389	0.6
71.62994	0.2
72.99315	0.2
73.02934	0.3
85.02942	0.6
85.03456	0.2
89.02442	0.5
96.96024	0.5
101.02489	0.3
113.02473	0.4
161.02417	0.3
162.02242	0.2
177.05606	0.4
179.03558	0.2
181.01428	0.5
193.04965	0.3
195.06667	0.6
196.03793	0.8
211.06168	0.8
247.31999	0.2
316.46701	0.2
334.01013	0.2
345.10345	0.2
387.16452	2.0
388.17505	0.2
403.81644	0.2
451.12424	0.4
451.22150	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	450.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17554	0.6
53.67960	0.6
55.73746	0.6
59.01360	1.1
61.98819	2.0
65.63494	0.6
71.61750	0.7
71.62202	0.8
76.53990	0.6
78.95900	27.6
78.96365	1.5
79.24938	0.5
83.97736	0.6
92.66930	0.6
96.95987	1.3
96.96954	2.6
120.18303	0.7
125.00220	0.6
140.01138	2.0
152.99573	5.5
171.00626	5.1
196.03745	1.3
214.04814	3.1
253.21696	100.0
254.22061	7.6
289.18134	0.6
376.22476	0.6
450.26227	23.2
451.26236	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	450.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.98817	2.1
69.92429	3.2
76.37764	0.6
76.67460	0.6
78.95899	30.3
95.05048	0.8
96.95995	1.0
96.96933	1.3
121.10249	1.0
140.01147	3.2
152.99576	6.8
171.00603	3.4
196.03804	5.9
214.04851	3.2
245.43480	0.7
253.21698	100.0
254.22037	6.1
269.07077	1.0
391.18008	14.4
399.39102	0.8
450.26205	30.0
450.32538	1.5
451.26428	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	449.2542
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
51.56770	0.2
59.01361	1.0
61.98824	0.9
70.82186	0.3
70.82520	0.6
76.02634	0.2
76.68234	0.3
78.95903	6.4
82.22058	0.3
93.03448	0.3
96.96004	0.6
96.96941	0.6
105.03422	0.5
113.09711	0.5
116.92831	0.6
117.03474	1.1
123.39901	0.3
123.64097	0.3
127.11265	0.2
132.02148	0.9
132.10352	0.3
133.02948	21.4
134.03802	2.1
135.04532	6.7
137.02425	1.0
152.99573	10.6
161.02432	100.0
162.02774	3.3
171.00690	0.4
179.03500	1.7
249.02118	0.2
269.21045	0.5
287.22241	11.7
288.22684	0.7
353.64838	0.3
363.25516	0.7
431.24396	1.8
431.31226	0.3
449.25424	46.5
450.25723	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	449.254
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
50.41569	0.4
51.13169	0.4
59.01350	1.4
61.98795	1.1
62.96384	0.4
70.28141	1.2
71.01360	0.5
78.95900	30.4
96.95984	1.5
96.96951	2.7
105.03374	0.4
105.46698	0.4
113.09681	0.4
116.92867	0.8
116.97221	0.6
117.03443	1.3
118.58620	0.4
132.02094	0.6
133.02956	20.7
134.03673	1.4
135.04535	5.9
137.02390	1.0
150.98033	1.0
152.99573	56.2
153.99881	1.0
155.00027	0.9
161.02431	100.0
162.02771	3.7
171.00630	1.7
179.03508	1.8
189.61235	0.4
269.21289	0.4
287.22244	12.6
288.22775	1.2
431.24316	1.8
439.30118	0.4
449.25555	49.3
450.25916	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23181	0.3
66.38917	0.3
78.95900	3.5
89.30257	0.3
98.20661	0.5
100.00938	0.3
110.98527	2.9
140.55505	0.3
152.99557	0.8
155.38321	0.3
165.77960	0.3
167.01120	1.4
181.96538	0.3
185.02182	3.4
190.04031	0.4
229.41283	0.3
232.13878	0.3
277.21500	0.6
281.24835	100.0
282.25189	7.8
289.35532	0.3
449.26672	8.6
450.27206	0.7
451.41873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14342	0.6
55.01875	1.1
57.01398	0.7
57.03439	1.9
58.00583	1.0
59.01376	73.6
60.01720	0.7
61.98823	4.0
65.00320	0.6
69.03470	0.6
69.40130	2.2
69.40554	2.7
71.01375	19.8
72.99311	1.4
73.02941	4.5
75.00861	1.0
79.95724	5.3
80.96524	2.8
83.01398	3.4
85.02940	8.9
87.00873	1.5
89.02441	11.6
89.47200	0.7
95.01372	1.0
95.95235	1.7
96.96004	54.7
97.02947	0.6
98.19929	1.3
99.00880	1.7
99.04518	2.6
101.02440	17.7
105.03460	1.3
107.01397	0.7
113.02457	7.8
119.03488	4.3
122.97563	0.9
125.02460	0.8
127.07681	0.9
127.18166	0.5
129.01901	0.7
133.02943	16.6
134.03397	0.6
135.04517	1.3
138.97046	2.8
143.03488	1.1
150.03110	0.7
150.97008	0.7
151.00352	2.3
159.02994	1.5
161.04543	9.0
164.04787	1.7
165.12880	4.2
177.01932	9.0
179.05605	1.1
180.98048	0.8
192.04265	100.0
193.04599	4.6
207.06602	95.5
207.13823	4.8
208.06908	3.8
209.11815	12.3
225.14925	6.2
227.16464	1.6
241.00211	46.0
242.00726	0.9
251.12827	1.8
269.13913	39.0
270.14279	2.5
287.05630	2.2
287.18835	0.6
389.21793	24.6
390.22089	2.4
395.91113	0.6
449.07538	3.2
449.14703	40.0
449.20349	40.8
450.15771	4.8
450.20187	4.5
468.61743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56149	0.2
59.01372	0.7
61.98835	1.4
71.41235	0.4
75.09549	0.2
78.95900	55.7
80.57238	0.2
83.43936	0.2
96.96014	0.3
96.96960	7.1
97.59381	0.2
100.13368	0.2
116.97225	0.2
122.21149	0.2
150.98004	1.9
152.99583	100.0
153.99950	1.4
171.00650	4.5
231.36232	0.2
234.73505	0.2
277.21759	0.3
295.22705	0.7
449.23050	16.4
450.23193	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00579	0.7
59.01374	100.0
60.01704	1.2
61.98825	17.8
64.69827	0.5
69.87350	2.4
71.01375	13.7
72.99303	1.1
73.02950	3.4
74.02468	0.7
79.95727	1.0
80.20583	0.5
83.01389	1.6
85.02934	5.9
87.00903	1.0
89.02429	9.9
96.96005	5.8
98.19930	0.8
99.00892	1.6
101.02428	11.3
113.02428	6.8
119.03468	4.8
121.63977	0.5
130.66650	0.6
143.03494	1.2
159.03020	1.5
161.04526	6.3
179.05605	2.8
199.09770	0.5
205.41469	0.6
227.61055	0.5
241.00296	2.0
244.59801	0.5
245.04604	0.9
278.50873	0.6
387.16849	1.4
389.21762	53.1
390.22101	5.3
405.17664	0.9
414.16455	0.8
449.15140	0.8
449.20712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1483
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01374	1.2
59.71532	0.4
69.43426	3.0
71.01382	2.1
72.99294	0.5
73.02942	0.6
79.95731	14.6
80.96508	5.9
80.96940	0.6
83.01383	0.9
85.02942	1.1
87.00860	1.8
95.95223	0.6
96.96001	74.2
101.02429	3.7
110.11776	0.4
113.02409	2.2
122.97591	0.9
129.01917	0.5
137.96237	0.7
138.97069	5.3
138.99225	0.3
150.97031	1.4
166.96498	0.8
178.89929	0.4
180.98148	0.6
194.69098	0.4
204.24084	0.3
238.98618	1.1
241.00192	19.4
256.99652	2.4
326.45215	0.3
449.14801	100.0
450.15106	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	449.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74999	2.3
57.03453	2.0
59.01372	34.4
61.98829	20.4
62.25953	2.0
71.01382	25.5
72.99272	2.3
73.02938	9.4
78.58713	1.8
83.01385	4.5
85.02940	16.0
87.00857	5.9
89.02430	13.8
91.15437	2.1
95.01402	2.7
96.96005	24.3
98.19830	4.5
99.00893	3.6
101.02444	16.3
111.00876	2.4
113.02448	11.0
119.03490	7.5
130.91512	2.1
135.04524	43.0
136.04839	15.9
137.02414	25.0
138.03206	3.6
149.02382	2.3
152.04814	12.8
153.05421	2.6
161.04582	4.0
167.06989	2.6
179.05592	4.3
184.02054	2.9
184.03769	4.3
212.06886	20.2
213.02235	2.3
227.09233	48.1
228.09538	3.6
243.06470	2.8
250.10811	48.4
251.11125	41.1
252.11293	2.6
252.81740	2.2
260.50903	2.6
269.13950	5.1
389.14490	100.0
390.14676	6.6
412.16046	9.2
413.16516	18.0
449.07648	2.6
449.15082	16.7
449.20477	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95879	0.6
55.01847	1.3
55.32298	0.7
57.03429	1.3
58.00576	1.5
59.01376	66.6
61.98833	4.8
63.22457	0.6
63.56165	0.6
69.58976	4.7
71.01379	18.1
72.99286	1.9
73.02934	2.9
75.56380	0.7
79.95729	7.8
80.96510	3.2
83.01357	1.8
85.02948	6.7
87.00858	2.3
89.02444	11.9
95.01393	1.0
95.95228	3.3
96.96004	71.4
97.02955	1.0
99.00884	1.8
99.04524	3.6
101.02440	16.1
102.02763	1.0
105.03454	1.0
113.02430	8.7
119.03479	3.3
122.97607	0.7
129.01926	0.8
133.02948	16.3
134.03275	0.9
135.04530	2.5
138.97063	3.1
143.03484	1.6
148.95316	0.7
149.02354	0.9
150.97063	1.7
151.00362	1.9
159.02998	0.8
161.04546	7.6
164.04753	2.5
165.12811	2.6
166.96484	0.8
171.06541	0.8
176.19479	0.8
177.01921	10.5
179.05663	1.6
180.98131	1.1
192.04271	100.0
193.04623	3.9
198.99232	0.8
207.06609	95.5
207.13850	4.2
208.05197	0.6
208.06822	3.5
208.26736	0.7
209.11813	14.1
210.12157	0.9
225.14951	5.5
227.16516	0.9
241.00218	48.0
242.00540	1.9
251.12874	2.0
269.13913	46.2
270.14301	2.8
287.05579	2.7
289.07806	0.8
352.24527	0.7
389.21765	19.9
390.22299	1.5
449.08020	2.2
449.14844	59.6
449.20428	39.8
450.15146	6.0
450.20728	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	449.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
64.16412	0.4
70.92915	0.8
71.01366	1.6
72.99324	0.4
76.99069	0.4
79.95732	7.2
80.96514	2.3
83.18250	0.4
85.02933	0.9
89.02450	0.8
95.95226	6.6
96.96002	95.4
101.02453	1.2
101.43090	0.4
122.97564	1.2
137.09746	1.0
138.84795	0.4
138.97057	4.3
150.97046	1.0
164.98537	0.6
177.04033	1.3
180.98106	0.8
193.63718	0.4
198.99033	1.9
210.99194	0.4
225.00734	1.9
231.17719	0.4
241.00201	3.8
256.99805	0.8
415.99429	0.5
449.14813	100.0
450.15131	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	449.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85456	0.3
57.01867	0.2
57.29947	0.3
59.01378	1.4
71.01370	2.0
71.39108	0.4
72.99284	0.3
73.02953	0.4
75.00858	0.8
79.95730	4.2
80.96512	1.6
83.01358	0.4
83.74856	0.2
85.02947	1.0
87.00871	0.4
89.02412	0.5
95.95226	3.7
96.96004	78.4
100.36553	0.3
101.02425	1.4
113.02419	0.6
121.25992	0.2
122.97564	1.1
129.01979	0.3
133.02946	0.4
137.09709	1.2
138.97066	3.4
143.03539	0.4
150.97008	1.8
155.10759	0.7
164.98647	0.5
168.98129	0.5
177.01855	0.3
177.02567	0.3
177.04024	2.7
180.98213	1.2
192.04245	3.6
194.99657	0.4
198.99156	1.2
199.09741	0.4
207.06602	2.0
213.00775	0.6
225.00572	0.4
241.00201	6.8
247.80519	0.3
256.99725	3.3
259.01288	0.6
294.19940	0.3
434.13220	0.3
449.14813	100.0
450.15161	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	449.1476
Annotation	Suvorexant
Peak:m/z	Relative Intensity
56.29566	0.2
57.03445	0.2
57.99953	0.2
58.00591	0.4
59.01378	3.1
60.01731	0.2
71.01383	1.2
72.99337	0.3
75.00852	0.4
79.41358	0.2
79.95722	2.1
80.96507	0.8
85.02943	0.7
87.00901	0.2
93.03463	0.2
95.95235	0.6
96.96004	34.8
99.00891	0.5
99.04502	0.2
101.02430	0.4
112.48022	0.3
113.02477	0.3
122.97523	0.2
150.97037	0.7
191.05676	0.3
210.99135	0.5
225.00758	0.8
241.00194	1.2
273.09360	0.2
323.98697	0.2
324.96304	0.2
390.45563	0.2
410.86960	0.2
419.10150	0.3
430.13522	0.2
448.62317	0.3
449.14813	100.0
450.15155	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	449.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
57.19136	0.4
59.01357	1.5
62.05879	0.3
69.48965	0.3
69.49179	0.8
69.49598	1.5
71.01368	2.6
72.99293	0.6
73.02946	0.5
79.95730	14.3
80.96509	6.3
81.28725	0.3
83.01373	0.4
85.02945	1.3
87.00874	1.6
89.02422	0.5
95.95216	2.2
96.95998	86.7
98.20634	0.6
99.00877	0.4
101.02419	2.9
105.10442	0.3
111.00858	0.8
113.02428	1.1
115.23899	0.3
122.97577	1.2
129.01953	0.6
137.09708	0.5
138.97050	5.2
150.97075	1.6
166.96562	0.7
180.98076	0.8
198.99190	0.6
225.00714	0.4
238.98674	0.8
241.00198	9.2
242.00346	0.4
256.99692	3.2
336.63364	0.3
362.77151	0.3
449.14786	100.0
450.15140	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	449.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.7
61.98826	7.4
68.43105	0.4
69.26466	2.8
69.26884	1.5
71.01385	4.0
72.99291	0.5
73.02932	1.3
79.95732	4.2
80.96513	1.8
83.01395	0.5
85.02937	2.0
89.02438	1.7
95.01373	0.8
95.95216	3.6
96.96002	73.1
101.02456	2.6
106.31789	0.4
111.00900	0.6
113.02424	1.3
122.97582	0.9
123.00881	1.4
127.00353	0.5
129.02000	0.5
130.98676	0.5
138.03220	1.5
138.97014	2.3
139.00333	1.7
150.97034	1.2
153.01970	0.8
153.05540	1.2
172.36995	0.5
177.04021	1.2
180.98112	1.0
190.02771	0.8
191.03442	1.1
198.99149	1.0
205.05046	1.1
222.99133	0.5
233.04607	0.4
241.00217	4.9
247.06139	1.0
256.99756	0.8
371.08093	0.5
386.10132	0.9
389.12036	0.7
389.21735	2.7
401.12280	4.6
405.17801	0.6
413.12234	1.4
419.13467	1.9
431.13623	3.0
432.13272	0.5
449.14813	100.0
449.61612	0.8
450.15173	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	448.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01760	0.7
54.17446	0.6
57.83080	0.7
58.74964	0.7
59.01375	19.1
60.01754	0.9
61.98825	100.0
69.60748	4.5
75.00864	3.3
78.95912	0.6
85.02975	1.4
93.58410	0.7
96.96022	2.9
113.02457	0.8
148.71843	0.7
151.65285	0.6
162.04758	0.7
337.18372	0.9
385.22333	1.6
448.17230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32543	0.5
55.01876	1.9
57.03470	1.1
58.00597	0.8
59.01373	66.8
60.01713	0.6
60.21791	0.6
61.98820	5.1
69.03444	0.8
69.40852	1.6
69.41270	3.3
71.01377	19.0
71.01759	1.1
72.99314	1.0
73.02937	4.3
73.37719	0.7
79.95732	7.3
80.96501	3.8
83.01376	3.0
83.62176	0.6
85.02952	7.6
87.00897	1.8
89.02437	10.2
94.98071	0.7
95.01405	1.5
95.94706	0.6
95.95220	3.0
96.96001	75.5
99.00887	1.7
99.04510	3.4
101.02438	18.4
101.54661	0.6
105.03455	1.1
113.02449	7.8
115.36436	0.6
119.03490	3.9
122.97589	0.8
127.07665	1.2
133.02942	16.7
134.03229	0.9
138.97063	3.1
143.03514	1.2
150.97060	1.5
151.00380	1.1
159.02985	1.1
159.49097	0.6
161.04550	10.4
164.04764	2.4
164.98795	0.6
165.12769	0.9
166.36372	0.6
166.96538	0.6
171.06618	1.2
177.01894	9.8
179.05505	1.4
180.98022	0.6
192.04262	100.0
193.04591	4.7
197.67975	0.6
198.99092	0.6
207.06596	93.4
207.13846	3.0
208.06972	5.1
209.11804	8.0
225.00551	0.8
225.14879	3.5
227.16492	2.0
241.00197	51.2
242.00627	1.3
251.12941	1.5
256.99734	1.0
269.13901	29.1
270.14227	1.4
272.25235	0.6
287.05569	1.4
389.21765	26.2
390.21994	1.5
449.08133	2.3
449.14688	69.5
449.20313	26.0
450.15292	6.1
450.20435	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01700	1.1
61.98825	1.2
69.61475	2.8
71.01383	5.5
73.02937	0.6
74.92677	0.4
85.02957	1.8
89.02438	8.0
99.00946	0.5
101.02459	3.3
103.44554	0.5
113.02439	2.9
114.91286	0.5
119.03484	4.2
143.03577	0.8
149.04605	0.5
161.04498	2.6
166.39215	0.5
175.23607	0.5
179.05666	1.6
189.12877	1.7
207.13936	0.7
320.56680	0.6
387.20081	5.8
388.20831	0.8
447.22604	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	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.1
60.01715	0.9
61.98824	100.0
71.01373	3.1
71.62338	0.5
73.02924	0.4
83.96217	0.2
85.02956	1.1
89.02427	2.8
101.02426	2.0
113.02464	1.3
114.86164	0.3
119.03540	0.7
120.03837	0.3
131.03467	0.3
131.96881	0.3
144.72368	0.2
152.08467	0.5
161.04527	0.8
164.89522	0.3
179.05627	0.6
342.23767	0.3
343.09717	0.3
387.20251	0.9
388.20499	6.5
388.25449	0.4
389.21524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01086	0.5
59.01373	6.9
60.01711	0.5
61.98824	100.0
63.75082	0.2
65.15859	0.2
71.01382	1.8
71.07813	0.5
73.02946	0.3
82.11534	0.2
85.02962	0.4
86.67294	0.2
89.02432	1.9
90.02793	0.3
101.02473	1.1
102.02773	0.3
113.02432	0.8
119.03508	0.6
140.09700	0.3
161.04597	0.5
162.04935	0.3
168.24696	0.3
168.35336	0.2
203.49864	0.2
387.20288	0.4
388.20514	3.1
389.21310	0.5
413.50400	0.3
460.29495	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86388	1.7
55.01852	3.3
57.03420	2.4
58.00601	1.7
59.01376	63.6
61.98815	2.1
69.03430	5.6
71.01375	27.5
72.99295	3.4
73.02921	6.3
79.01871	3.4
79.95711	7.2
80.96501	4.2
83.01369	5.5
85.02947	11.8
85.22772	1.5
87.00863	4.7
89.02419	6.9
91.73479	1.4
95.01350	3.7
96.96000	66.9
97.02927	3.8
99.00848	2.8
101.02431	17.8
107.01347	5.9
113.02445	8.3
119.03479	3.2
121.02930	11.1
123.00850	1.9
125.02466	7.8
138.97063	3.3
151.00325	6.6
161.04568	1.7
168.26816	1.6
199.13342	6.9
238.98570	2.0
241.00188	13.5
242.05840	8.5
243.06487	3.6
256.99625	6.6
301.02356	1.8
322.78506	1.5
325.05896	26.9
343.17487	13.3
361.14536	3.0
361.18625	41.6
362.19080	2.5
387.19922	2.1
403.19684	100.0
404.19852	10.9
447.09433	62.2
447.21915	10.7
448.09897	5.1
465.56439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
61.98819	3.6
71.01364	0.6
71.61892	0.7
72.99308	0.7
78.93576	0.5
78.95897	50.5
96.95985	1.5
96.96954	5.7
101.02430	0.5
116.92734	0.6
123.04498	0.8
150.98004	1.2
152.99574	100.0
153.99960	1.4
161.17787	0.5
161.29579	0.4
171.00586	4.3
238.09590	0.4
257.71811	0.5
291.82877	0.6
299.25867	0.6
447.21454	11.1
447.31223	1.3
448.22018	1.2
448.30542	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53336	0.7
59.01376	5.0
61.98816	2.3
71.88993	0.7
72.99289	1.0
78.95897	53.8
96.95983	1.5
96.96960	5.5
101.02441	0.8
123.71872	0.7
145.39999	0.7
150.98012	1.6
152.99579	100.0
153.99937	1.0
171.00615	3.3
323.96399	0.8
390.46579	0.9
447.15631	0.8
447.21445	15.7
448.21875	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	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31470	0.3
57.03442	0.4
57.23002	0.3
59.01375	100.0
60.01702	0.7
61.98830	0.4
71.01379	10.0
71.01757	0.6
72.99321	0.7
73.02950	1.3
81.03493	0.3
83.01375	0.4
85.02961	1.9
87.00877	1.0
89.02434	16.3
89.27361	0.3
90.02826	0.5
95.01371	0.6
96.95994	2.0
101.02442	6.1
113.02441	4.4
119.03490	6.2
120.99677	0.4
128.03603	0.4
131.03537	0.8
135.04494	3.0
136.01689	0.3
136.04897	0.8
137.02470	0.6
143.03473	2.5
149.04549	0.6
149.09761	0.3
161.04517	2.7
179.05595	12.9
180.06081	0.3
205.07034	0.3
206.85995	0.3
210.67207	0.3
242.05966	0.4
248.09361	1.0
249.09598	0.7
387.20560	0.5
388.19641	0.3
407.85785	0.3
409.55090	0.3
410.14462	0.7
411.14890	0.9
447.09003	0.4
447.14856	0.8
447.22467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1505
Annotation	CHEBI:68964
Peak:m/z	Relative Intensity
58.00577	1.3
59.01375	28.8
61.98832	2.6
69.96630	2.1
71.00985	1.1
71.01379	21.0
72.01713	0.7
72.99297	1.6
73.02944	9.0
78.95905	0.5
83.01418	0.6
85.02927	2.2
87.00883	0.7
89.02438	33.4
90.02761	0.7
96.95997	3.8
97.02926	0.5
99.00874	23.1
100.01251	0.6
101.01777	0.6
101.02435	11.7
109.02975	0.5
113.02447	3.8
119.03473	2.6
119.36782	0.5
120.99657	0.7
123.04494	2.7
125.02424	1.8
128.03555	0.9
131.03499	4.7
134.03725	0.7
135.04515	24.0
136.04865	0.5
149.04547	6.7
153.01907	0.8
153.05577	2.7
156.46269	0.5
161.04480	0.7
165.05539	0.6
191.05602	5.0
211.06000	0.6
248.04149	0.5
249.12447	0.5
285.09839	1.1
286.07056	0.6
306.31442	0.4
315.10925	3.0
409.17191	0.9
447.15024	100.0
448.15424	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	447.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86388	1.7
55.01852	3.3
57.03420	2.4
58.00601	1.7
59.01376	63.6
61.98815	2.1
69.03430	5.6
71.01375	27.5
72.99295	3.4
73.02921	6.3
79.01871	3.4
79.95711	7.2
80.96501	4.2
83.01369	5.5
85.02947	11.8
85.22772	1.5
87.00863	4.7
89.02419	6.9
91.73479	1.4
95.01350	3.7
96.96000	66.9
97.02927	3.8
99.00848	2.8
101.02431	17.8
107.01347	5.9
113.02445	8.3
119.03479	3.2
121.02930	11.1
123.00850	1.9
125.02466	7.8
138.97063	3.3
151.00325	6.6
161.04568	1.7
168.26816	1.6
199.13342	6.9
238.98570	2.0
241.00188	13.5
242.05840	8.5
243.06487	3.6
256.99625	6.6
301.02356	1.8
322.78506	1.5
325.05896	26.9
343.17487	13.3
361.14536	3.0
361.18625	41.6
362.19080	2.5
387.19922	2.1
403.19684	100.0
404.19852	10.9
447.09433	62.2
447.21915	10.7
448.09897	5.1
465.56439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96647	0.3
59.01370	1.8
61.98831	0.5
62.96395	1.3
70.51526	0.3
70.51851	0.9
78.95898	36.1
89.70201	0.3
96.95995	0.7
96.96957	2.3
149.00079	17.8
152.99579	1.0
158.92520	1.6
171.13968	0.3
179.01143	2.5
205.15923	1.2
225.87459	0.3
235.06149	0.3
347.08347	0.4
382.13443	0.3
417.12518	0.7
431.10260	2.3
447.13376	100.0
448.13730	8.1
448.19547	0.7
464.09494	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21663	0.2
57.87328	0.3
59.01377	1.1
61.98825	100.0
70.03138	1.2
71.01401	0.6
72.87832	0.3
74.02494	0.3
78.95908	0.4
79.95739	0.3
88.98805	0.4
89.02431	0.5
96.95999	1.9
96.96978	0.6
98.20621	0.3
98.95621	0.3
99.00861	0.3
101.02468	0.4
105.00311	0.2
113.03597	0.4
114.82188	0.3
120.99690	0.3
128.03543	0.8
130.08841	0.5
135.04530	0.8
145.06189	0.4
153.77057	0.3
158.06230	0.5
164.07155	0.8
165.05547	0.5
198.76830	0.3
204.06656	0.6
249.12439	0.7
336.02466	0.4
402.20004	0.3
411.14856	0.5
429.16736	0.4
446.07443	1.5
446.18521	0.5
447.12109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12912	0.6
59.01381	4.4
61.82727	0.6
69.49683	1.3
69.50082	3.2
71.01373	3.4
72.49848	0.5
73.02943	1.0
75.00866	1.6
79.95737	5.6
80.96523	1.6
81.39108	0.6
83.05014	1.5
85.02933	1.8
87.00870	0.7
89.02402	0.9
95.95222	5.7
96.96005	96.3
98.20712	0.6
101.02450	1.3
117.98268	0.6
121.02943	19.3
122.97623	0.6
129.02020	0.6
138.97076	2.1
150.97035	1.6
152.98499	0.6
159.03070	0.7
164.98709	0.7
168.98154	0.8
177.04016	8.6
180.98103	1.0
194.99496	0.7
213.00761	1.3
225.00723	2.1
241.00203	6.8
256.99661	5.1
306.47858	0.6
318.77969	0.7
325.05948	49.3
326.06259	2.8
403.19647	2.8
447.09595	100.0
448.09933	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	446.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29640	0.5
59.01375	7.4
61.98825	32.5
63.82466	0.5
70.74252	0.5
71.01381	5.3
71.62554	0.8
72.99289	2.5
73.02948	0.8
74.02458	1.4
75.00855	1.3
79.95733	7.4
80.96503	2.3
83.19555	0.4
85.02931	1.0
87.00845	2.6
89.02438	2.6
96.00866	0.6
96.96012	6.8
98.95569	0.8
99.00868	3.5
101.02412	1.1
112.13547	0.5
113.02438	1.3
116.05051	11.4
117.01909	1.0
119.03411	0.6
120.99656	0.9
123.04421	0.5
127.05104	0.8
128.03511	1.4
128.05025	2.5
130.06636	2.3
132.04565	0.6
135.04517	12.6
136.04810	0.7
138.96985	0.6
142.06593	5.7
144.04536	1.2
153.01857	0.5
158.06097	24.5
161.04736	0.5
172.04059	0.7
186.05600	7.3
188.07152	1.5
200.07164	2.1
204.06624	43.3
205.06909	1.9
209.06592	0.7
210.02242	2.8
218.08226	1.6
222.02280	2.6
238.01759	2.3
246.07680	13.0
247.07986	0.6
248.09209	5.4
249.09554	0.6
284.02264	5.5
306.09097	0.6
323.74454	0.5
326.03339	8.7
326.07007	0.6
327.03561	0.6
356.04556	1.9
362.69693	0.6
376.04422	0.6
386.05557	7.5
410.14496	3.0
411.19650	0.6
427.22400	0.6
445.23489	1.0
446.07568	100.0
447.07727	7.8
447.13318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03446	0.7
58.00597	1.0
59.01376	100.0
60.01731	0.7
61.98833	6.3
69.87880	2.7
71.01377	18.4
72.78214	0.5
72.99317	1.0
73.02965	1.8
79.95745	1.0
83.01373	1.1
83.05030	1.9
85.02943	3.7
87.00867	1.7
89.02438	26.9
90.02798	0.7
93.40295	0.6
95.01385	1.9
96.96008	15.4
98.20563	0.7
99.00859	0.7
101.02433	11.3
113.02449	9.2
119.03489	10.9
131.03500	0.7
143.03499	2.7
149.04573	0.8
157.12355	1.3
161.04544	3.9
179.05602	15.4
203.12849	1.6
241.00179	1.3
315.14520	4.6
327.14542	1.9
365.18118	27.5
366.18533	2.0
367.17444	1.6
399.13263	3.5
427.12720	0.8
445.13705	28.0
446.14099	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64047	0.6
57.03435	1.2
58.00587	1.1
59.01374	100.0
60.01717	0.7
60.71977	0.5
71.01379	21.0
71.01761	1.3
71.62284	1.0
72.99309	1.3
73.02954	4.1
78.79770	0.5
79.95762	0.6
81.03446	0.6
83.01396	1.0
84.18006	0.6
85.02950	6.4
87.00892	2.5
87.84814	0.7
89.02433	21.7
95.01377	1.6
96.96000	5.9
97.02912	0.6
97.80539	0.5
97.98338	0.7
99.00886	3.8
101.02435	12.6
113.02435	9.1
119.03498	7.2
121.06560	0.8
129.05577	1.3
129.58029	0.6
131.03502	4.4
135.04480	0.6
137.09741	0.8
138.40901	0.6
143.03517	1.4
147.08151	1.2
149.04520	3.3
149.06113	0.6
152.03568	0.7
159.03023	1.1
161.04533	7.4
161.09698	0.7
163.11278	13.8
164.11661	0.9
175.11250	4.0
179.05624	1.8
187.11218	2.9
191.05568	0.8
205.12305	49.1
206.12723	2.1
221.06642	10.7
365.18253	1.3
385.18771	0.9
445.16748	2.6
445.21689	1.8
446.17313	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
57.03445	4.7
59.01376	100.0
60.01718	1.1
61.98830	1.5
67.50689	0.6
69.03467	0.9
69.24901	4.1
69.25317	1.7
71.01379	24.6
73.02946	8.5
79.95731	1.3
80.96526	0.9
82.10789	0.6
83.01372	2.8
85.02949	10.6
87.00883	1.5
87.44794	0.5
89.02444	4.3
95.01397	1.6
96.96005	11.5
97.03001	0.8
99.00895	3.1
101.02438	15.1
103.03995	0.7
109.02942	1.3
113.02444	11.1
113.06087	1.6
119.03518	1.7
119.77652	0.6
125.02405	1.0
129.01920	0.8
129.05589	1.0
137.09750	1.5
138.97099	0.6
143.03505	1.3
149.09686	0.6
152.00963	0.6
153.01851	1.1
153.09233	2.4
159.02985	2.9
161.04552	20.3
161.05838	1.2
163.11282	0.7
165.09200	1.2
165.36623	0.7
167.03452	1.3
179.05638	1.4
179.10898	1.1
187.11317	1.7
203.12958	1.8
205.12320	4.7
210.70068	0.5
221.11786	0.7
223.13376	15.9
223.15569	1.0
233.58286	0.5
241.00247	1.8
295.27747	0.6
341.08746	0.8
365.18143	10.0
381.97885	0.6
399.13324	2.4
445.13437	18.2
446.13901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30162	0.4
58.00589	1.5
59.01376	1.0
60.99303	0.4
67.31005	0.4
69.40141	3.8
72.99255	0.4
73.02930	1.4
83.05018	0.6
87.04511	0.8
98.19836	0.8
103.03943	0.4
106.46738	0.5
113.06061	1.6
137.09653	0.6
150.41682	0.5
165.51848	0.5
191.14458	0.7
245.19070	2.4
255.17732	0.5
257.15509	0.8
257.19244	0.8
263.20325	0.6
273.18634	2.9
275.17242	0.9
275.20093	8.2
276.20389	0.6
285.18503	1.4
291.19458	0.6
301.18051	0.7
303.19543	4.3
321.20871	0.8
325.30865	0.5
337.20230	1.1
365.19653	22.9
366.19928	2.7
445.15311	100.0
446.15646	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	445.2074
Annotation	Dendroside G
Peak:m/z	Relative Intensity
57.03444	2.1
58.00580	4.7
59.01376	86.9
61.98825	2.4
70.08118	1.6
71.01379	54.0
72.70557	1.3
72.99304	9.8
73.02930	3.5
79.95733	5.0
83.01385	1.8
83.40047	1.6
85.02938	14.4
87.00875	2.9
89.02435	54.4
90.02786	1.8
93.03458	31.1
95.01395	4.8
96.96001	15.4
98.20689	2.5
99.04514	11.7
101.02431	25.3
109.02957	2.1
113.02444	21.2
119.03490	21.2
129.01904	1.7
131.03516	1.7
137.02438	58.9
138.02774	3.3
143.03491	2.6
145.02968	6.4
149.04572	2.7
153.01909	2.8
154.02318	1.8
160.12880	1.5
161.04480	4.4
179.05608	5.7
203.14467	3.7
221.15443	42.9
222.15793	3.9
241.00238	2.3
265.04999	4.8
265.14413	100.0
266.14737	6.1
283.05966	3.3
283.15646	2.5
332.20471	1.6
338.19113	1.7
401.29065	2.9
445.11206	6.2
445.20767	83.7
445.27637	7.7
446.21051	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	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.1
59.01375	100.0
61.55186	0.6
62.14292	0.8
67.18378	0.8
69.80733	4.3
71.01377	17.5
73.02946	0.9
73.77381	0.8
83.05046	2.1
85.02955	3.0
87.00894	1.0
89.02437	31.1
95.01415	1.4
96.96014	2.6
101.02435	9.0
113.02442	8.4
119.03487	12.3
121.06642	0.7
131.03586	1.7
143.03491	3.2
149.04521	1.1
161.04517	5.2
179.05600	21.2
194.75179	0.8
209.08249	1.3
230.19147	0.8
386.91251	0.9
445.17828	1.5
451.47174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.97758	0.6
64.75665	0.7
69.74252	4.2
77.04903	0.6
81.72495	0.6
86.01786	0.5
143.46973	0.6
187.89284	0.6
187.91058	0.6
358.67032	0.6
391.44345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	18.5
61.98823	26.8
70.05879	4.0
71.01382	6.5
78.95914	8.2
79.95747	7.9
89.02435	10.4
96.96005	91.6
96.96632	5.1
96.96954	14.5
98.95628	6.3
99.81342	4.1
101.02453	8.3
128.03526	10.7
134.03726	6.8
134.04698	6.4
135.04544	9.3
148.30736	4.1
149.02478	20.6
149.04591	7.8
149.06032	8.9
150.03241	29.1
151.03987	5.2
153.05586	5.2
155.32277	4.5
164.04756	6.6
165.05559	100.0
188.82704	4.1
195.06538	24.1
213.07692	7.8
241.11966	5.1
244.04477	5.2
256.98566	4.0
283.09787	5.0
285.07635	5.9
301.10962	6.7
339.34052	5.0
361.12869	59.0
409.14883	55.5
410.15100	8.1
427.18079	7.2
445.14169	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66265	3.2
56.99376	2.9
59.01375	24.9
60.09023	3.4
61.98828	3.2
62.08925	3.4
66.45042	3.1
69.73804	16.9
71.01386	18.9
73.02926	5.6
74.02467	3.6
78.95918	5.8
84.59472	3.6
85.02937	3.9
88.04042	4.2
88.98814	3.7
89.02432	14.1
90.31360	3.2
96.00920	4.0
96.95998	19.0
96.96960	4.3
101.02433	14.0
103.00365	15.9
103.04037	3.2
104.03532	24.4
113.02388	5.3
119.03530	4.2
120.99629	4.4
123.04510	5.4
127.05106	3.5
128.03540	7.5
133.01416	3.2
133.05038	7.0
135.04503	4.5
137.02406	4.3
140.69090	2.9
146.65056	3.7
149.02406	16.7
149.04532	4.0
150.03188	43.7
150.32864	3.1
151.03847	3.5
161.04543	4.9
164.04742	6.7
165.05556	100.0
165.06813	3.4
179.05559	6.4
195.06630	22.9
204.06683	4.1
213.07608	5.3
265.09195	9.0
270.45450	3.4
286.08444	10.0
301.10782	15.7
309.11795	3.8
341.11102	6.8
361.12912	61.3
361.17252	2.5
362.13177	7.5
409.14984	59.0
410.15112	8.1
445.13834	19.4
445.19180	6.5
446.07550	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25550	0.7
51.01065	0.7
55.01870	0.8
59.01370	4.5
60.99302	12.4
61.98827	5.8
71.01385	6.7
71.61993	0.7
71.62370	0.8
73.02947	2.4
83.01389	1.0
84.56511	0.6
85.02946	2.4
88.32231	0.7
88.98801	100.0
89.02439	9.7
96.96009	17.2
96.96952	1.4
99.00884	1.6
100.39175	0.6
101.02435	3.7
113.02439	2.4
119.03572	0.6
161.04553	2.1
190.17805	0.7
241.00143	0.8
251.11348	4.1
252.67828	0.9
268.41678	0.7
323.13474	0.9
383.15512	14.1
443.12238	7.0
444.12848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
58.00590	2.0
59.01375	20.8
61.98808	2.1
71.01372	19.9
71.62782	1.1
72.99308	1.4
73.02933	4.5
75.00860	4.3
82.32388	1.4
85.02926	4.6
88.33865	1.1
89.02435	6.0
90.57460	1.1
95.01374	2.7
96.40896	1.2
98.23049	1.1
101.02456	6.1
113.02441	13.8
161.04501	1.4
240.21010	1.4
265.25342	3.8
281.24823	100.0
282.25165	8.8
291.26688	1.9
293.24783	2.0
295.26352	50.7
296.26608	3.6
305.24811	3.9
323.25912	16.0
324.26038	2.6
335.25775	5.3
339.25363	1.8
353.26749	3.0
443.25461	1.6
443.36017	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	443.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.1
58.00562	1.1
59.01091	1.7
59.01375	24.6
61.98832	1.0
67.01871	1.6
68.99815	3.5
69.03443	1.8
69.78078	6.8
71.01380	28.9
72.01669	1.2
72.99305	8.6
73.02918	2.1
75.00871	20.6
81.03474	1.3
83.01367	1.6
85.02944	32.3
87.00867	10.6
89.02444	9.4
89.03953	2.2
91.04011	1.2
93.03448	4.6
95.01377	4.9
96.96020	8.6
98.19819	1.2
99.00867	13.5
101.02410	1.2
103.00361	3.6
110.18947	1.1
111.00842	1.9
112.01677	1.4
113.02440	42.6
114.02814	1.3
115.00356	2.4
117.01904	4.2
117.03443	7.3
129.01894	3.4
131.03496	1.3
133.02928	4.1
134.03734	78.7
135.04602	6.8
137.02437	7.4
149.06052	8.8
157.01324	1.2
160.01680	6.7
160.02817	1.2
161.02356	2.4
175.02446	2.8
175.03955	10.2
179.03503	2.3
193.05035	40.6
194.05376	3.5
205.07043	1.4
207.05014	1.9
210.87999	1.3
221.04195	1.3
231.04945	1.3
231.62759	1.1
249.06126	36.5
250.06293	1.4
252.06302	2.1
253.06982	1.7
267.07141	100.0
268.07397	4.5
283.58023	1.0
340.35529	1.1
425.10638	4.2
443.11780	98.2
444.12271	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	443.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78858	0.6
57.03436	0.8
59.01377	35.2
60.28684	0.6
61.98833	1.1
68.65989	0.6
71.01381	13.1
72.99306	2.2
73.02953	1.4
75.00865	3.7
78.00700	0.7
79.95733	6.7
80.96508	3.1
83.01376	1.3
84.55552	0.6
85.02953	8.6
87.00869	3.6
89.02431	9.1
92.56977	0.7
93.51922	0.7
95.01390	2.3
96.96006	51.9
97.16298	0.7
99.00877	3.0
101.02446	7.4
103.00340	1.0
113.02435	12.8
117.01941	0.9
117.03422	1.3
119.03497	3.7
134.03734	13.0
137.02446	1.2
138.97084	2.4
143.03639	0.7
149.06116	1.3
150.97118	0.8
160.01625	2.2
175.03970	2.7
183.10150	1.3
184.27081	0.6
193.05008	6.2
201.11263	0.7
241.00186	7.3
249.06163	3.1
267.07166	24.8
280.28079	0.8
310.71527	0.9
323.80496	0.7
337.72018	0.6
345.15439	1.3
356.46414	0.6
363.16650	10.9
364.16873	1.3
381.12134	4.4
383.10141	7.2
443.12173	100.0
444.12469	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	443.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03442	3.9
58.00567	1.1
59.01091	1.6
59.01377	20.7
67.01868	1.6
68.99812	3.0
69.03466	1.2
69.39555	3.4
69.39989	3.5
70.21310	0.8
71.01379	26.9
72.99310	5.6
73.02932	2.4
75.00876	19.3
83.01374	0.8
83.05028	0.9
85.02946	26.4
87.00875	9.4
89.02425	6.7
89.03956	1.5
91.04005	1.2
95.01390	6.8
96.96025	1.4
99.00882	11.2
101.02406	1.3
103.00374	2.9
106.64295	0.8
111.00852	0.9
113.02445	37.7
113.03240	1.8
115.00368	2.3
117.01915	3.7
117.03468	7.1
129.01952	1.9
133.02928	2.6
134.03732	83.8
135.04489	2.4
149.06082	8.3
157.01430	1.0
160.01657	8.8
161.02423	2.6
175.02414	3.2
175.03972	10.1
179.03455	2.5
181.53362	0.9
189.21945	0.9
191.05725	0.9
193.05038	51.2
194.05405	2.7
207.05067	1.8
231.04999	1.5
249.06113	34.2
250.06470	1.0
252.06342	2.0
252.45946	0.9
252.74797	0.8
253.07228	1.7
267.07141	98.2
268.07431	4.9
313.35764	0.9
348.07028	0.9
411.09329	1.2
425.10849	4.2
443.11884	100.0
444.12357	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	441.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03424	1.1
58.00590	2.0
59.01090	1.2
59.01373	16.4
61.98821	0.9
69.43711	4.2
69.44120	1.7
71.01373	22.3
72.99305	1.4
73.02937	7.6
75.00853	3.7
79.56695	0.7
83.01382	1.3
85.02943	7.0
87.00887	0.8
89.02431	5.8
92.14519	0.7
95.01369	2.8
98.20649	1.2
99.00895	0.7
101.02415	7.4
113.02442	17.2
119.03521	1.1
125.06078	1.2
130.12491	0.8
139.07700	1.0
143.03474	1.3
147.02968	0.8
161.04514	2.3
171.64920	0.7
204.06516	0.8
221.62070	0.9
263.23792	3.8
263.26337	0.8
265.25250	1.3
275.23727	3.4
279.23264	100.0
280.18701	0.7
280.23639	8.3
289.25403	1.4
289.43021	0.7
291.23218	2.0
293.24841	36.3
294.25171	2.8
303.23285	4.9
305.24692	1.6
321.24280	16.6
322.24606	1.7
333.24307	8.0
337.23730	1.3
351.25317	3.0
398.35910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06446	2.8
55.89835	2.4
57.00114	2.4
59.01376	100.0
63.91319	2.5
69.72350	16.6
96.19151	2.8
124.60924	3.1
126.95640	2.7
293.03033	2.8
388.30765	2.8
416.23428	2.6
432.27219	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	442.296
Annotation	Yibeissine
Peak:m/z	Relative Intensity
58.02966	3.0
59.01383	1.8
61.98814	1.7
66.68698	1.1
69.51647	2.1
69.52061	5.9
71.28452	1.0
72.00902	3.1
74.02465	1.3
84.55697	1.2
90.55831	0.9
93.03458	5.4
96.96043	1.0
99.21163	0.9
106.04255	2.3
107.05023	9.3
119.05021	16.3
136.07683	3.0
139.00874	1.2
163.03992	16.3
180.06647	70.3
181.07005	2.1
186.96846	1.0
398.30658	8.9
442.29620	100.0
443.29941	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	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19128	0.6
53.37596	0.5
55.01883	0.8
57.03438	3.5
58.00598	1.3
59.01378	33.8
61.98809	0.7
64.88807	0.5
69.03435	0.8
69.27004	2.4
69.27432	3.5
71.01378	21.8
72.99310	2.4
73.02953	1.8
78.29363	0.6
79.05584	0.8
79.95744	2.4
81.03468	1.3
83.01392	1.9
83.05034	2.2
84.02194	1.0
85.02954	6.5
87.00877	1.9
89.02441	20.4
89.02985	1.1
91.78894	0.6
95.01423	1.5
95.05019	1.7
96.96008	11.2
97.02945	1.4
97.06606	1.6
98.19828	1.1
99.00898	0.8
99.04534	1.6
101.02440	14.0
101.03077	1.0
107.05026	1.0
109.02984	1.1
110.37068	0.5
111.04531	0.8
113.02446	8.0
117.55698	0.6
119.03499	8.9
120.05718	0.7
121.06573	5.4
123.08188	1.9
123.92329	0.6
125.02513	0.6
125.06106	2.4
129.01938	0.9
130.08755	1.7
131.03528	1.3
135.04552	0.9
135.08211	1.8
136.05316	1.4
137.09734	1.1
139.07735	1.2
143.03467	1.4
147.11801	3.3
149.04610	0.7
149.06087	0.7
151.07637	18.9
151.11299	2.6
152.08226	0.8
156.09465	0.8
158.07365	0.9
161.04601	3.1
161.06006	0.9
161.09773	0.9
165.09213	0.7
167.07161	3.1
171.11844	1.9
173.06065	1.1
173.09634	3.1
174.10541	0.6
175.07777	0.8
175.11308	2.1
179.05637	9.9
179.07184	3.9
179.10832	1.2
183.08144	1.1
184.08923	6.2
187.07709	0.8
187.11238	3.2
189.09248	0.7
189.12846	9.1
190.13226	1.0
191.05606	0.8
199.11270	4.6
201.09210	6.1
202.09979	3.8
205.12405	1.8
215.10725	3.9
217.12302	36.0
218.12744	2.4
235.13342	8.8
241.00229	1.0
261.11365	2.1
279.12405	2.4
355.10440	0.7
397.14453	0.8
398.15839	0.7
441.17822	100.0
441.63068	0.8
442.18201	9.5
468.18604	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2027
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
62.17513	0.5
64.40005	0.4
65.99841	1.6
69.32060	2.0
69.32473	2.3
70.72070	0.5
87.00877	0.7
96.95996	1.0
101.06066	2.4
111.53638	0.5
113.80949	0.6
123.05602	0.6
174.34549	0.5
196.11325	1.8
198.78889	0.5
200.10855	0.6
204.04001	0.5
217.54263	0.5
238.12317	0.6
238.16035	1.2
254.15469	10.9
254.17920	0.9
255.15729	0.7
265.25299	0.5
278.11838	2.7
280.17142	1.0
294.14960	5.6
306.18527	0.7
310.15509	0.9
316.98682	0.5
322.18265	0.6
332.16406	0.7
333.17261	2.1
333.44159	0.5
348.19525	3.6
350.17490	1.0
365.21237	0.6
366.18018	0.9
381.20581	1.2
382.21790	0.5
384.13168	3.9
441.20258	100.0
442.20526	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.7
56.59843	0.3
57.03443	0.5
59.01374	100.0
60.01701	0.9
63.73647	0.3
68.99568	2.5
71.01380	7.2
72.99315	0.7
73.02934	1.8
83.01396	1.3
85.02950	3.4
86.05421	0.3
89.02460	1.2
95.01392	0.9
96.96021	0.6
97.02962	0.3
98.16641	0.3
99.00904	0.8
101.02432	4.1
111.12303	0.3
111.30108	0.3
112.98562	2.9
113.02441	2.9
159.03096	0.4
161.04517	3.7
164.04999	0.4
164.22775	0.3
202.71559	0.4
229.59225	0.5
286.42447	0.4
329.02969	0.4
344.05417	0.8
359.07809	1.2
369.18436	0.5
399.23740	2.3
428.29697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
52.99866	0.2
55.01890	0.3
57.03456	0.5
59.01377	100.0
60.01699	0.5
70.37171	0.7
70.96832	0.2
71.01382	5.9
71.16089	0.2
72.99305	0.5
73.02951	1.5
75.00870	0.4
79.95709	0.3
81.06145	0.2
83.01387	0.7
85.02946	2.7
87.00897	0.3
88.34808	0.2
89.02438	2.4
90.70867	0.2
95.01415	0.6
96.96034	1.2
97.02998	0.4
99.00886	0.5
101.02440	3.0
101.06068	0.2
105.28310	0.2
113.02455	2.8
119.02708	0.3
119.03481	1.3
143.03477	0.3
161.04544	1.9
271.98212	0.3
399.23718	1.2
405.60593	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32532	0.6
57.03445	1.7
58.00584	2.4
59.01089	1.0
59.01377	19.2
61.98809	0.9
69.03461	1.1
71.00985	1.2
71.01376	20.1
71.62881	1.0
71.88084	0.6
72.99306	1.0
73.02944	9.7
75.00874	3.5
75.01254	0.6
83.01387	1.4
85.02934	6.9
89.02428	5.8
95.01376	2.4
97.06565	1.1
101.02446	7.4
109.36932	0.8
110.42774	0.6
113.02441	13.8
119.03455	2.1
125.02470	1.1
125.06070	0.9
139.07649	0.6
143.03568	0.9
147.02989	0.8
161.04547	1.2
169.15918	0.7
257.22635	0.8
263.23868	2.5
265.25320	1.3
275.23849	3.6
279.23267	100.0
280.23654	10.0
289.25403	1.1
291.23288	1.6
293.24841	40.9
294.25162	2.8
303.23288	4.8
304.23618	1.1
305.24924	2.0
321.24310	14.8
322.24725	1.8
333.24188	5.2
351.25485	3.6
438.94577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
56.02372	0.7
57.03447	3.7
58.00589	1.9
59.01376	41.6
61.98827	1.8
69.03477	1.1
70.76839	0.8
70.77189	1.9
71.01378	25.4
72.99317	2.8
73.02938	2.1
75.00883	0.7
78.95894	2.3
79.05558	0.8
79.95736	6.2
80.96514	1.1
81.03455	1.7
83.01387	1.5
83.05033	2.5
85.02950	7.6
87.00860	2.4
87.04488	1.0
89.02441	26.0
93.03454	1.3
95.01407	1.9
95.05032	1.6
95.95232	1.3
96.96005	26.4
97.02940	2.6
97.06576	1.3
98.95570	0.7
99.00862	1.2
99.04514	1.9
101.02438	16.3
104.03562	0.9
107.05054	0.7
109.02962	1.8
111.00850	1.0
111.04555	0.9
113.02442	9.0
116.27231	0.7
116.58526	0.6
119.03500	10.0
120.99622	1.1
121.06602	5.8
123.08145	2.1
125.06078	2.8
129.01973	1.5
130.08749	1.7
130.98399	0.7
131.03485	1.5
135.04512	1.9
135.08176	1.3
136.05327	1.5
137.09700	1.3
138.97041	0.9
139.07590	2.1
143.03464	2.1
147.08116	1.5
147.11797	3.3
149.04578	1.1
149.06071	1.1
151.07629	17.0
151.11269	2.0
153.01974	1.2
156.09415	0.8
158.07278	1.4
159.02991	0.7
159.04453	1.1
159.08145	1.8
161.04541	4.0
161.05933	1.2
161.09677	0.9
162.06703	1.0
163.03954	0.9
167.07111	4.5
171.08127	0.7
171.11760	1.9
173.09764	3.3
175.11255	2.7
179.05582	10.6
179.07147	4.5
179.10689	1.1
184.08925	6.3
185.48370	0.7
187.07507	1.0
187.11272	4.5
189.09171	1.4
189.12808	8.7
191.05640	0.8
192.17848	0.7
199.11266	6.8
201.09171	5.6
202.09932	3.1
205.12288	2.3
209.06606	1.6
215.10741	4.8
217.12309	42.3
218.12610	2.5
235.13338	9.6
241.00179	3.9
249.11253	1.4
261.11237	2.8
267.06335	0.7
279.12274	2.5
330.13135	1.6
395.65735	0.7
398.16025	1.4
405.21661	0.8
425.33841	0.7
441.17990	100.0
441.62830	4.0
442.18234	10.6
463.19968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03915	0.7
51.92102	0.7
55.01863	0.9
57.03431	0.9
59.01380	9.5
61.98843	0.9
69.32495	2.9
69.32923	5.0
71.01367	7.4
72.99290	1.0
73.02946	2.6
74.71819	0.8
75.00873	1.1
79.95732	18.1
80.96483	5.0
81.95351	1.0
83.01382	2.0
85.02946	4.5
87.00880	2.3
88.70090	0.9
89.02437	1.2
95.95240	2.7
96.75723	0.7
96.96003	85.5
97.02986	1.1
98.95616	1.1
99.00918	1.4
101.02439	6.2
103.03981	1.0
111.00908	2.7
113.02466	2.8
115.58767	0.8
129.01907	0.9
138.97043	4.1
150.97063	1.1
164.98633	1.0
199.13367	5.1
238.98598	1.3
241.00221	17.6
256.99744	3.5
343.17740	1.1
361.18652	29.2
362.19321	1.5
419.04526	0.8
441.14163	100.0
441.62619	8.0
442.14438	8.2
463.20132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.08
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	44.4
61.98806	6.2
65.76340	5.3
66.86582	6.4
69.56940	35.9
71.01374	47.8
72.99287	5.8
78.95907	44.9
80.62021	5.3
85.02952	11.4
87.00883	6.4
89.02441	42.4
96.96014	100.0
96.96943	78.1
98.20508	9.7
98.95598	19.4
99.00809	6.5
101.02432	17.7
113.02445	12.9
119.03475	8.6
125.02440	14.4
143.03383	7.6
149.04649	7.4
177.01895	13.3
179.05594	14.1
191.05531	6.6
192.04152	7.9
293.08707	75.6
329.06400	13.1
381.13037	6.8
387.12762	7.5
441.07211	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80249	1.6
59.01372	6.7
61.98830	1.8
65.15461	1.7
71.01373	5.0
71.08117	4.0
71.37963	1.5
72.19730	1.6
73.02945	3.6
76.50471	1.9
85.02950	3.4
85.98319	1.6
86.73279	1.8
89.02450	2.4
91.78265	1.6
93.46791	1.8
94.11311	1.5
96.96001	14.3
100.05001	1.9
101.02432	5.6
108.49485	1.6
113.02425	3.7
121.12180	1.8
134.03732	51.8
137.02426	8.3
139.03981	4.8
149.06084	18.2
149.29167	1.7
150.03175	2.3
150.06387	1.9
156.66609	1.8
159.02786	1.8
162.80191	1.6
178.02692	37.7
193.05040	100.0
194.05388	4.5
249.13368	5.8
262.45050	1.8
345.32065	2.0
381.17645	20.4
382.18042	3.6
441.14233	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	441.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77710	0.6
56.02736	0.5
56.77900	0.6
58.26053	0.6
58.29741	0.6
59.01382	5.1
61.98825	3.6
67.65454	0.6
69.76987	3.7
71.01383	7.4
72.99274	1.5
73.02946	1.5
79.95721	5.4
80.96516	2.7
85.02956	2.3
87.00873	1.3
88.98846	0.7
89.02443	1.7
93.03502	0.7
95.95200	1.1
96.96004	100.0
97.02925	0.5
99.00861	1.4
101.02439	2.9
109.02948	7.9
110.03275	0.8
110.97573	24.9
111.00865	0.7
113.02485	1.1
115.00318	0.5
120.01267	0.7
120.99628	1.1
122.97588	1.4
123.08176	0.7
125.02405	0.9
128.03505	0.9
133.02950	0.7
134.02823	1.1
134.03737	13.3
135.04510	1.3
137.02457	3.6
138.97076	2.1
139.04051	0.7
141.09241	0.7
148.55125	0.6
149.02359	0.7
149.06065	3.9
150.03166	1.3
150.97067	1.8
154.01462	0.5
164.94218	0.6
164.98695	0.6
165.01833	0.8
165.05513	2.0
166.05893	0.9
167.07173	0.9
178.02682	7.5
180.98080	1.3
193.05029	23.0
194.05400	1.3
195.06598	2.0
196.06915	1.3
197.07176	1.3
241.00188	6.5
257.13354	0.6
293.08713	1.7
309.15363	0.7
397.11331	1.6
403.12427	3.2
405.17902	0.7
409.08057	30.2
410.08255	2.4
424.10645	1.1
441.10522	90.1
442.10724	8.1
442.23224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03915	0.7
51.92102	0.7
55.01863	0.9
57.03431	0.9
59.01380	9.5
61.98843	0.9
69.32495	2.9
69.32923	5.0
71.01367	7.4
72.99290	1.0
73.02946	2.6
74.71819	0.8
75.00873	1.1
79.95732	18.1
80.96483	5.0
81.95351	1.0
83.01382	2.0
85.02946	4.5
87.00880	2.3
88.70090	0.9
89.02437	1.2
95.95240	2.7
96.75723	0.7
96.96003	85.5
97.02986	1.1
98.95616	1.1
99.00918	1.4
101.02439	6.2
103.03981	1.0
111.00908	2.7
113.02466	2.8
115.58767	0.8
129.01907	0.9
138.97043	4.1
150.97063	1.1
164.98633	1.0
199.13367	5.1
238.98598	1.3
241.00221	17.6
256.99744	3.5
343.17740	1.1
361.18652	29.2
362.19321	1.5
419.04526	0.8
441.14163	100.0
441.62619	8.0
442.14438	8.2
463.20132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26365	0.6
53.90769	0.6
58.21331	0.6
59.01376	3.5
61.98830	0.9
62.15158	0.6
70.29395	0.6
70.62204	1.8
71.01383	1.7
72.20766	0.6
72.99293	0.6
79.95760	0.7
85.02924	0.8
89.02424	1.4
93.03464	1.7
96.95996	5.8
98.95568	0.8
101.02463	1.0
109.02952	1.8
113.02441	0.7
121.02957	1.9
122.02956	1.0
122.03748	6.3
133.02887	0.8
135.04527	0.8
136.01640	1.4
137.02452	3.6
137.06120	1.1
149.02431	19.9
150.03217	55.2
151.03705	2.2
162.65413	0.6
164.04803	6.2
165.00500	0.9
165.01918	27.5
165.05556	57.1
166.02313	1.3
166.05891	2.3
180.04262	25.1
181.04881	1.4
195.06609	100.0
196.06903	4.6
243.08655	3.7
273.07483	0.9
301.07257	3.2
301.10330	0.8
315.08557	0.8
316.09369	1.3
331.11832	8.0
332.12311	1.0
379.15958	1.0
391.13947	15.5
392.14236	1.5
434.83572	0.6
439.11215	2.1
439.16312	5.4
440.16525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25350	0.6
57.03421	1.5
58.00582	2.4
59.01374	21.4
61.98827	0.9
69.03465	1.1
70.12927	2.5
71.01376	25.5
72.99308	1.9
73.02940	8.9
75.00864	4.5
83.01368	2.1
83.05059	0.6
85.02946	7.4
87.00880	0.8
89.02434	5.8
95.01374	2.2
97.02955	1.1
97.06583	1.3
98.19901	1.0
100.84531	0.7
101.02423	8.7
108.69334	0.6
111.08128	0.8
113.02435	17.2
114.58803	0.6
119.03468	1.3
121.02357	0.7
125.06080	2.2
139.07613	1.7
141.68510	0.6
143.03453	0.8
146.97189	0.5
155.86369	0.6
161.04518	1.5
233.22850	0.7
233.80304	0.6
255.21123	1.4
259.20740	1.2
263.23734	1.3
273.22195	6.8
277.21692	100.0
278.22021	8.1
287.24103	0.7
289.21640	0.8
291.23285	31.8
292.23624	2.3
301.21686	5.5
302.21750	0.7
303.23248	0.9
319.22748	18.6
320.23096	1.6
331.22678	6.2
349.23901	4.2
437.91809	0.9
439.24887	1.3
439.31619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.5
58.00580	2.5
59.01375	21.6
61.98796	1.6
64.51395	0.6
69.03433	0.6
71.01376	26.8
71.62389	0.6
72.99281	1.3
73.02939	7.9
75.00861	5.7
78.95898	0.8
83.01378	1.9
85.02942	10.0
87.00877	1.3
89.02439	7.2
95.01387	2.8
96.95990	1.3
97.02953	0.6
101.02439	8.0
113.02438	17.3
114.02809	0.8
119.03493	1.4
123.68774	0.6
125.02494	0.6
125.06051	1.4
127.07658	1.2
139.07654	1.5
143.03532	1.2
155.72505	0.6
161.04552	1.8
192.95827	1.1
205.19554	0.9
255.21069	1.4
263.23712	1.6
271.22705	1.8
273.22220	6.0
274.22491	0.9
277.21674	100.0
278.22049	9.2
287.23712	1.2
289.21686	1.0
291.23257	27.1
292.23596	1.9
294.14490	0.6
301.21637	4.6
302.21835	0.7
303.23184	1.0
308.15182	0.7
319.22726	16.2
320.23111	1.3
331.22690	5.3
332.23096	0.8
349.23834	4.2
392.90643	0.8
439.32083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73732	0.5
53.40940	0.4
57.00196	0.4
59.01372	5.1
61.98835	1.0
71.01373	1.1
71.63368	0.6
72.99299	1.0
78.95896	6.7
79.95735	4.6
85.02950	0.8
96.96004	100.0
96.96904	9.2
101.02444	0.6
102.36697	0.6
109.81283	0.5
112.98545	0.6
113.02444	0.7
130.08752	0.9
132.11473	0.6
138.97086	0.6
194.29256	0.5
208.79100	0.5
209.06726	0.9
215.87624	0.5
241.00194	0.9
342.12936	0.5
384.86578	0.6
425.07880	1.0
440.10104	1.0
440.17139	1.3
441.18451	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	440.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.5
61.98826	2.2
62.37527	0.4
70.36955	1.0
70.37344	1.0
71.01389	1.3
79.95752	1.0
84.35674	0.5
85.02935	0.6
85.68970	0.4
89.02435	1.5
95.05962	0.5
96.96003	10.1
97.95981	0.7
98.95589	1.0
102.05593	1.5
109.02941	1.2
110.03285	0.9
110.97576	1.0
113.02460	0.9
114.99480	0.5
115.84071	0.5
122.03789	0.7
127.05133	0.4
128.03532	7.3
134.03731	69.8
135.04424	2.5
137.02394	1.2
148.05241	0.5
149.06065	67.0
150.03214	2.7
150.06425	3.2
151.03532	1.2
153.05550	1.7
154.05930	1.0
160.01666	3.6
161.02441	2.2
165.01909	1.4
165.05542	2.5
166.02264	1.0
166.05913	1.7
175.03975	8.2
177.04341	0.6
178.02676	0.9
180.04221	1.0
192.06781	0.6
193.05061	3.9
195.06625	3.1
196.06947	3.0
219.08975	0.7
241.00185	0.8
242.00459	0.6
260.09286	2.8
278.10294	100.0
279.10626	7.2
332.12344	0.6
392.14261	0.9
405.17389	1.1
409.07965	1.3
440.09662	1.1
440.15759	8.5
441.09943	4.1
441.15552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58097	0.4
59.01380	3.8
61.59455	0.4
61.98818	1.8
62.69248	0.4
64.06046	0.3
69.80814	0.9
69.81220	1.5
71.01369	2.4
73.02956	0.6
78.95899	29.6
79.95741	2.1
85.02952	3.4
87.49125	0.4
89.02469	0.6
95.01370	0.6
96.96001	100.0
96.96948	68.5
97.95928	0.6
98.19944	0.6
99.00862	0.5
113.01698	0.5
113.02444	6.8
126.08401	0.4
143.03496	1.6
153.05585	0.7
161.04601	0.6
175.02440	1.2
223.06073	0.6
413.38300	0.5
439.09595	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	439.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.6
59.86894	0.3
62.96373	0.3
64.02164	0.3
71.01390	1.0
71.61650	0.4
73.02930	0.5
78.95901	48.2
79.95731	1.4
85.02965	1.6
87.00821	0.3
89.02451	0.7
96.92249	0.5
96.96008	57.4
96.96956	100.0
101.02468	0.7
102.71367	0.3
106.83610	0.3
112.08770	0.3
113.02461	2.1
175.02441	0.5
222.15396	0.3
241.00165	1.1
263.05679	0.5
336.45352	0.3
341.10938	0.7
439.08945	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	439.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26323	0.6
55.01877	1.7
57.03447	5.3
58.21426	0.7
59.01375	50.6
68.99851	0.8
69.03436	1.5
70.64397	2.5
71.01379	30.0
71.23104	0.7
72.99305	2.0
73.02949	7.9
75.00870	3.8
77.34489	0.6
78.95907	2.5
81.03455	2.3
83.01387	3.9
85.02945	58.5
87.00854	3.2
89.02454	1.9
95.01376	10.2
96.96006	9.7
96.96928	3.9
97.02940	4.0
99.00887	6.5
99.04517	0.8
101.02447	3.5
103.00355	4.2
113.02438	100.0
114.02769	2.2
114.98330	0.7
115.00356	0.8
117.01942	1.3
125.02433	6.2
129.01947	1.4
143.03487	29.6
144.03815	1.6
154.70604	0.7
155.03455	1.3
157.01442	0.9
175.02452	19.1
185.04333	0.8
203.05650	0.8
235.04535	2.6
275.07635	0.8
439.10898	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	439.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
61.98835	0.7
69.24325	3.7
71.01382	2.2
71.28761	0.3
72.99308	0.6
73.02936	0.3
78.95915	0.4
79.29697	0.3
79.95727	3.3
80.96516	3.2
85.02939	1.2
85.95200	0.3
87.00871	1.1
88.77814	0.3
89.02422	0.6
93.94180	0.4
95.95241	0.6
96.96001	100.0
98.19814	0.7
99.00844	0.8
101.02437	1.3
113.02429	1.1
122.97556	0.7
125.02429	0.4
138.97070	8.5
150.97058	0.6
153.12840	4.4
164.98604	0.9
168.98116	0.6
179.10735	1.4
180.98056	0.9
197.11847	1.6
209.06679	0.5
222.99190	1.8
241.00203	37.1
242.00536	1.5
329.02945	1.0
334.06757	0.4
344.05197	1.6
359.07565	2.7
439.12625	63.6
440.12955	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	439.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41580	0.6
58.11109	0.5
59.01382	4.5
61.98841	1.5
64.60014	0.6
71.01366	2.4
71.62006	1.1
73.02932	1.3
78.46262	0.6
83.81425	0.6
85.02930	1.5
85.10690	0.6
89.02436	2.3
93.03446	2.2
96.96001	10.7
96.96968	0.9
98.95528	0.9
99.00855	0.9
101.02435	2.1
106.32964	0.6
109.02940	7.8
113.02422	1.7
119.02486	0.6
119.03452	1.1
121.02906	3.4
122.03726	7.4
123.04522	4.2
133.02943	1.0
134.03748	3.3
135.04500	2.0
136.01662	1.1
137.02438	5.6
149.02423	18.3
149.06061	2.4
150.03207	50.9
150.78876	0.6
151.03638	1.9
153.05573	6.7
161.02391	0.7
164.04802	5.4
165.01910	31.7
165.05548	54.6
166.02283	1.1
166.05876	1.9
179.03474	1.0
180.04265	25.6
181.04851	2.1
192.59792	0.6
195.06596	100.0
196.06982	5.7
227.03503	0.6
241.00299	0.7
243.08693	10.1
247.11705	0.7
278.10266	3.2
293.08777	1.5
301.07166	2.5
301.10355	0.6
316.09479	2.3
331.11765	7.9
340.12305	0.5
379.16037	3.2
389.61002	0.6
391.13885	16.5
392.14331	0.8
403.11859	3.4
403.20370	0.8
439.07709	1.0
439.17328	3.5
440.16534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01379	3.4
61.98827	100.0
69.49411	2.2
69.68612	0.3
71.01383	1.2
72.99304	0.5
76.90627	0.3
79.95718	1.5
80.96512	0.3
85.02966	1.0
85.09435	0.2
85.86353	0.3
89.02463	1.0
95.95221	0.4
96.96008	3.7
99.04532	0.4
101.02444	0.9
111.00909	0.5
113.02416	0.7
116.84953	0.3
119.03485	0.4
129.01953	0.6
134.03716	1.4
160.01688	0.8
175.04028	1.0
191.05585	0.3
193.05064	1.2
238.98688	0.6
241.00208	0.5
254.08052	1.5
256.99789	1.3
299.81049	0.3
350.11362	0.9
375.20169	7.3
376.20535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0335
Annotation	Eupatin 3-O-sulfate
Peak:m/z	Relative Intensity
59.01361	0.5
59.04107	0.5
79.95685	1.0
83.23259	0.5
84.04047	0.5
91.98959	0.4
95.08786	0.5
96.96007	3.4
98.19841	1.1
111.00860	1.2
136.98770	0.6
137.02457	1.2
138.97034	0.5
139.00371	3.4
144.34337	0.5
144.73087	0.5
151.74356	0.5
152.08972	0.5
161.02255	0.6
161.99524	0.8
163.04019	0.6
164.98291	0.7
165.99194	0.5
172.01532	0.6
177.01839	0.8
187.00319	1.9
189.01929	1.0
192.89264	0.5
202.02657	1.6
214.02740	2.9
218.02173	0.5
225.30624	0.6
229.04976	1.6
229.52330	0.6
242.02200	5.7
243.02902	0.7
243.99899	0.6
257.04623	0.7
258.01694	2.8
269.00943	0.6
270.01639	1.9
273.04059	1.4
285.03940	1.1
286.01154	6.6
297.00464	1.0
298.01068	2.8
301.03558	5.0
302.03879	0.6
311.01740	0.8
314.00632	10.3
314.04123	1.0
329.02988	27.1
330.03345	1.9
344.05316	61.4
345.05655	4.8
359.07672	100.0
360.08011	8.9
439.03354	10.6
439.16330	1.8
440.03763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01371	2.6
61.98816	0.5
69.03450	0.4
69.83513	1.0
69.83924	0.5
71.01375	3.1
72.99310	0.4
73.02936	1.0
78.95902	1.0
79.95731	3.7
80.96516	3.5
83.01366	0.4
84.95116	0.7
85.02946	2.0
87.00867	1.6
89.69360	0.4
95.01379	0.7
96.96003	100.0
97.02915	0.5
99.00875	0.8
101.02419	1.4
111.09119	0.3
113.02426	3.3
120.14838	0.3
122.97564	0.4
123.00877	0.7
125.02412	0.6
138.97057	9.2
143.03516	0.9
150.97066	0.8
153.05510	0.8
164.98584	1.1
165.05603	0.3
166.99854	1.0
168.00403	0.3
168.98120	0.9
175.02397	0.6
180.98126	1.0
182.02217	2.6
195.06604	0.8
197.04515	3.1
222.99075	1.2
241.00204	61.4
242.00569	2.0
383.95786	0.4
399.65964	0.3
439.05444	26.9
440.05875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
56.26064	0.6
57.03446	4.0
58.00573	0.7
59.01374	13.9
61.98820	2.2
67.01883	0.9
68.99813	1.2
69.03463	1.4
69.80516	2.9
71.01374	14.6
72.99291	4.8
73.02942	1.3
75.00861	9.7
79.95718	0.7
85.02943	12.3
87.00864	5.1
88.98795	1.8
89.02448	4.8
95.01412	3.5
95.04996	0.6
96.95995	4.8
97.02993	0.8
97.06576	6.7
99.00865	6.8
101.02417	3.5
103.00341	0.9
111.00885	0.8
111.83456	0.7
113.02440	12.4
115.00352	1.6
117.01920	1.6
119.03504	1.0
119.05028	7.4
120.05349	3.7
123.08167	3.9
125.09712	59.3
126.10052	2.2
129.01958	1.9
129.09221	0.8
143.10829	0.8
157.01370	1.1
157.12254	0.7
169.08699	1.3
175.02478	2.4
181.05231	0.7
187.09732	40.8
188.10081	1.4
231.05043	1.1
249.06155	8.7
257.17462	3.8
261.13385	4.0
267.07169	1.6
316.16705	1.4
317.17014	3.1
375.16550	1.4
396.06924	0.7
419.15695	2.0
419.22827	1.2
437.16629	100.0
437.23566	12.5
438.17007	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	437.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45416	0.7
59.01382	5.6
61.52787	0.9
61.98822	3.1
65.51953	0.7
65.52368	0.9
68.99802	1.6
69.62633	3.6
69.63052	1.6
71.01375	2.7
71.73539	0.7
72.99301	3.0
79.95744	2.5
80.96495	1.2
85.02953	1.1
89.02442	1.8
95.01414	0.9
95.05030	1.2
96.96003	17.4
98.95599	2.5
101.02438	1.2
108.02174	1.3
109.02981	1.0
113.02459	1.0
122.03734	0.8
123.00921	1.2
123.04517	62.8
124.04819	1.6
138.03198	2.2
138.97092	0.9
144.04576	0.8
150.03224	2.3
153.05560	100.0
154.05905	3.7
161.02516	1.5
162.03183	1.8
165.01971	2.7
165.05585	2.1
172.89928	0.8
177.05534	3.5
178.02690	2.0
180.04243	1.0
193.05005	4.7
195.06586	3.8
220.95235	1.0
241.00250	3.4
242.99985	1.0
253.12631	0.8
288.33118	0.8
290.61847	0.9
318.02109	0.8
347.11169	1.0
357.11899	15.6
358.12320	2.0
369.94958	0.8
393.05295	0.8
437.06351	1.6
437.11264	8.4
437.15744	3.8
437.20456	3.6
438.11609	1.9
451.56934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
57.03444	0.7
59.01377	6.0
61.98824	1.0
71.01383	4.4
71.62759	0.5
72.99301	1.2
73.02938	1.0
74.02473	1.4
75.00864	1.1
76.96948	0.4
78.95888	0.5
79.95733	10.4
80.96510	6.7
83.01366	1.0
85.02947	3.2
87.00879	2.2
89.02444	1.3
92.00787	0.4
95.95228	1.2
96.96004	94.0
97.02920	0.8
98.02533	0.5
99.00869	1.1
101.02419	4.1
109.02943	10.4
111.00896	0.6
113.02451	3.0
116.05090	0.5
122.97575	0.8
123.04532	0.6
125.02394	0.5
125.09722	2.0
129.01924	0.8
129.65181	0.4
130.08652	0.4
135.04536	0.5
137.96300	0.8
138.97067	6.4
149.02379	0.9
150.03246	2.0
150.97044	1.9
151.03986	1.2
153.00165	0.7
161.02444	0.8
165.05537	2.3
165.09071	0.4
166.96533	1.0
180.98097	1.1
187.09734	0.9
191.05598	0.7
195.06604	1.7
195.08339	0.4
195.10196	0.5
201.11304	0.6
203.08310	1.0
211.06027	0.5
216.87276	0.4
222.81047	0.4
222.99100	0.6
241.00212	24.1
242.00545	0.9
245.09273	2.7
256.99677	0.5
283.01260	1.4
340.12067	0.6
343.12750	0.9
351.03839	8.8
352.04117	0.7
361.13696	0.6
387.11597	0.6
391.21906	0.5
393.04932	14.2
394.05090	1.2
437.04385	5.3
437.11087	100.0
438.11548	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	437.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.1
64.77097	1.0
65.04728	1.1
69.23168	0.9
71.01371	3.5
71.89762	0.8
72.99303	47.4
74.02437	1.1
77.53306	0.8
79.95737	1.3
85.02952	1.4
87.00813	1.1
87.96650	0.9
89.02432	1.5
93.03450	3.0
96.96006	8.7
101.02472	2.1
108.02140	1.0
109.02918	1.1
109.69881	0.9
113.02467	0.8
116.43732	0.9
119.05016	9.8
120.05349	3.7
120.99677	1.7
121.02929	5.6
122.03738	8.1
123.00876	1.4
123.04504	7.5
125.09708	1.4
132.02142	1.8
133.06691	0.9
134.03729	1.8
135.04501	2.6
136.01643	1.5
137.02415	3.0
138.03203	2.6
149.02429	28.6
149.06094	0.9
150.03210	66.6
151.04005	40.9
152.01146	1.8
152.04530	1.2
153.05566	4.1
162.03215	1.1
163.03993	3.3
164.04794	16.7
165.01903	4.1
165.05560	56.5
166.02773	4.2
166.05934	3.2
169.78798	1.0
177.05583	2.2
179.03502	3.4
179.07098	2.6
180.04277	11.3
181.03365	1.5
181.05046	32.3
182.05293	1.0
183.06618	2.5
193.01398	3.4
193.04973	1.5
195.06619	18.3
206.67151	1.0
208.03716	6.7
222.05344	9.3
223.06078	19.0
224.06407	0.9
240.06422	4.4
241.00246	1.2
241.07158	24.9
242.07623	1.2
245.09160	1.4
255.08588	1.0
312.10251	1.6
316.16730	2.0
317.16891	3.7
329.10043	1.0
343.11807	1.4
371.11389	3.3
389.12415	20.6
390.12823	2.1
419.13324	1.5
437.14551	100.0
437.23105	4.3
438.14957	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	437.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
59.01377	39.5
61.98822	7.9
67.01878	1.2
69.03439	1.1
69.61207	7.4
71.01379	10.5
71.05034	1.4
72.99301	42.3
73.02950	3.3
74.99146	1.0
75.00874	1.4
78.91878	1.3
79.83472	0.9
79.95738	4.0
80.96520	3.5
83.01369	1.7
83.44351	0.9
84.02198	0.9
85.02940	10.1
87.00871	2.2
87.04505	1.6
89.02453	4.3
93.03453	3.8
96.96007	14.8
97.02959	2.9
98.75395	1.1
98.95592	2.5
99.00861	1.6
99.04510	1.1
99.08132	1.4
101.02453	9.7
101.06078	4.3
109.02943	1.0
111.00900	2.5
113.02456	3.9
115.04004	1.2
119.03512	2.1
119.05019	5.9
120.05397	2.8
120.99638	2.4
121.02956	3.2
122.03726	8.5
123.00889	1.3
123.04498	6.4
129.01897	1.6
133.02992	3.1
134.03719	1.7
135.04515	2.4
136.01685	1.6
137.02472	2.0
138.03215	1.7
141.01979	1.2
143.03459	5.1
149.02434	23.3
149.05952	2.0
150.03214	72.8
151.04007	33.9
152.04463	1.6
153.05580	1.8
159.03015	1.4
161.04515	5.5
163.04068	1.3
164.04773	11.3
165.01904	6.8
165.05553	73.9
166.02663	4.8
166.06024	3.8
177.05515	1.6
179.03600	1.2
179.07150	2.3
180.04231	11.1
181.05049	29.2
182.05367	1.2
183.06700	1.6
193.01390	1.8
195.06601	21.8
208.03780	5.3
222.05299	16.5
223.06094	18.8
227.98776	1.0
240.06387	7.4
241.00337	1.8
241.07144	26.0
245.13953	3.3
252.27367	1.0
257.17566	3.0
259.59518	0.9
293.12411	3.8
317.16962	1.8
377.21933	2.4
384.77402	1.0
389.12433	2.4
393.06631	1.0
419.22876	1.8
437.14618	100.0
437.23788	44.3
438.15018	10.3
438.24332	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	437.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77966	0.6
54.76873	0.5
55.01874	0.5
57.03429	0.9
59.01367	3.0
61.98827	6.2
69.41464	4.5
71.01392	3.1
72.99291	0.9
73.02947	0.6
78.32021	0.5
79.95734	33.8
80.96510	10.5
83.01389	1.3
85.02943	2.2
87.00877	2.9
89.02409	0.8
89.71848	0.5
95.95235	9.4
96.96004	69.3
99.00867	1.8
101.02427	1.3
103.00402	0.7
104.05264	0.5
111.00868	8.0
113.02434	1.1
115.00364	0.9
120.96010	1.3
123.23660	0.5
127.00384	1.2
129.01930	4.7
133.87224	0.6
136.01646	2.2
136.95486	0.6
138.97084	4.6
143.89713	0.6
147.04514	0.5
150.97112	0.6
151.03992	2.2
154.96527	0.8
156.86717	0.5
159.02977	1.9
164.07137	0.9
166.96556	1.2
190.96704	0.6
192.98064	0.7
196.42348	0.6
210.99142	1.7
238.98648	11.6
239.88597	0.5
241.00204	12.6
256.99713	30.4
258.00058	0.7
327.71362	0.6
334.35001	0.6
437.14804	100.0
438.09814	0.6
438.15164	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	437.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19396	0.8
51.91069	0.8
59.01372	6.4
61.98813	1.7
67.45982	0.8
68.71167	0.8
70.77512	1.8
70.77833	1.3
71.01377	4.2
72.99322	2.3
73.02951	1.3
79.95744	5.7
80.96505	3.3
85.02962	2.6
87.00882	1.8
88.98837	1.1
89.02442	2.8
91.77759	0.8
95.05030	1.0
95.29240	1.1
95.29887	1.0
96.96006	35.3
98.95589	4.2
99.00846	1.3
100.89890	0.8
101.02428	3.7
107.05025	1.5
109.02917	1.1
110.97560	1.3
113.02431	1.6
119.03468	1.3
123.04514	57.9
124.04875	1.5
135.04475	2.5
138.97021	3.3
150.03185	1.2
153.05566	100.0
154.05870	3.1
162.03235	2.1
165.05557	1.6
177.05534	3.2
213.36845	0.9
238.35422	0.9
241.00220	9.2
242.00259	1.2
242.99956	1.7
259.01218	1.3
357.11884	14.2
358.12128	1.1
437.06924	9.5
437.11185	15.1
437.20386	2.3
438.12009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03451	1.8
59.01376	30.8
61.98823	2.6
62.82854	0.4
69.03451	1.3
69.53464	3.1
71.01377	9.2
71.05009	0.4
72.99300	2.8
73.02949	8.0
75.00855	0.7
79.95732	4.9
80.96514	3.8
82.88924	0.4
83.01375	1.6
83.05018	0.4
85.02943	8.4
87.00877	3.3
87.04482	0.6
89.02423	3.8
93.03435	4.4
95.01400	0.5
95.95224	0.8
96.96004	100.0
97.02965	2.0
98.20737	0.5
98.95567	0.4
99.00859	2.2
101.02445	4.6
103.00346	0.6
107.05058	0.4
108.02250	0.4
109.02953	1.4
111.00860	3.6
111.08152	0.7
112.98849	0.7
113.02465	2.6
115.00382	0.6
115.03996	0.8
119.03497	1.2
119.05023	0.7
125.02483	0.5
125.09709	1.2
126.31133	0.4
129.01944	3.1
129.09192	0.9
131.09067	0.4
135.04544	0.7
137.02444	7.3
138.97066	1.7
141.01955	0.8
143.03474	0.8
143.39404	0.4
149.04544	0.6
151.03946	0.5
153.01907	2.2
153.95844	0.4
155.07155	0.5
159.02971	0.9
159.85606	0.4
161.04567	0.5
164.98686	0.5
165.15121	0.4
166.96568	0.4
175.04021	0.5
179.05711	0.5
191.05586	1.4
193.05067	0.5
199.13399	1.1
209.06660	3.6
219.05916	0.4
219.08138	0.6
222.05258	0.5
225.11404	0.5
237.09187	1.6
238.09534	1.7
238.98598	3.2
241.00261	2.9
243.12352	4.2
255.16052	2.3
256.99701	7.4
273.17078	0.8
297.06195	2.1
331.04910	1.5
349.05945	63.1
350.06287	4.3
375.16324	0.9
391.06992	49.0
392.07410	3.3
393.17456	0.8
417.04886	1.4
435.06003	12.7
435.13116	15.4
435.18655	9.5
435.22806	5.0
436.06357	0.9
436.13388	1.7
436.18271	0.6
436.23267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16995	3.4
58.00577	5.9
59.01373	59.8
61.98828	83.6
70.07497	16.8
71.01379	48.6
72.62407	3.8
78.95895	13.0
79.95742	4.5
85.02945	12.0
87.00272	3.5
87.00863	10.9
88.98798	11.1
89.02438	56.0
92.92838	4.6
96.96009	100.0
96.96962	7.6
101.02417	19.4
108.02180	22.8
109.02961	12.1
113.02460	19.5
117.03484	5.3
119.03479	28.5
121.02898	5.5
131.03438	4.9
134.03748	10.0
138.97108	3.5
143.03459	6.9
145.02951	26.0
146.03711	6.5
147.04515	6.9
149.02419	21.0
150.03218	35.7
152.01122	29.0
153.01906	14.7
161.02461	28.5
161.04517	15.1
162.03233	33.1
164.04781	11.4
165.05550	69.1
177.05524	21.0
179.05589	26.6
180.04263	11.4
193.05058	10.5
195.06619	38.7
241.00229	57.1
315.07196	36.9
327.10828	20.3
357.12042	24.8
435.06070	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	435.2512
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
56.59957	0.2
59.76102	0.2
62.96396	0.3
69.61089	1.2
74.73661	0.2
78.95898	53.9
91.89699	0.2
96.96957	5.9
98.19830	0.5
132.08360	0.2
150.98021	1.7
152.99576	100.0
153.99933	1.3
171.00612	3.6
267.23364	0.3
281.24869	1.3
395.85681	0.3
435.25140	10.1
436.25409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51987	0.3
59.01378	12.9
60.62272	0.4
61.98819	1.2
70.31659	1.6
70.87648	0.4
71.01377	4.6
71.32619	0.4
72.99281	0.8
73.02937	3.5
75.00887	0.7
79.95736	3.1
80.96493	2.0
83.01363	1.1
85.02921	2.2
87.00860	1.0
89.02435	2.4
93.03493	0.4
96.96006	80.7
99.00871	4.5
101.02444	3.8
103.16954	0.4
113.02449	2.9
119.03504	1.3
119.05027	0.8
119.24203	0.4
121.02966	0.5
129.02023	0.5
131.03500	0.7
133.02934	2.8
134.03752	3.5
134.18517	0.5
137.02437	4.0
138.97087	0.7
139.04012	1.3
149.04546	1.8
150.03256	0.5
150.54889	0.5
161.02464	7.0
161.04498	0.5
164.92148	0.4
165.01852	0.5
166.96623	0.7
175.04008	0.5
178.02704	1.9
191.05679	2.6
192.04321	0.7
193.05038	100.0
194.05380	5.3
203.05589	1.0
222.98987	0.5
235.06061	1.6
237.09109	0.5
238.09470	0.8
241.00215	35.8
242.00519	1.1
273.67123	0.5
355.10266	8.3
356.10730	1.0
393.17563	1.7
435.05988	75.8
435.18423	2.3
435.22406	1.4
436.06390	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	435.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
64.29478	0.3
71.01376	3.4
71.21175	0.7
72.99277	0.4
73.02943	0.5
75.01900	0.3
79.95731	5.2
80.96516	3.7
85.02947	1.4
87.00868	1.4
96.96001	100.0
97.02948	0.3
97.92223	0.4
99.00871	0.7
101.02420	1.4
113.02400	1.1
122.97574	0.6
125.02491	0.4
134.03714	4.0
138.97052	10.3
143.03499	0.3
149.06026	0.4
150.97034	1.4
164.98627	0.9
166.32904	0.3
168.98126	0.6
171.24030	0.3
172.96490	0.3
180.98116	0.9
193.05032	3.4
194.05286	0.4
222.99094	2.2
241.00203	72.9
242.00536	2.5
253.16417	0.3
259.01294	1.6
435.05963	28.1
436.06247	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	435.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
61.98820	0.6
69.82014	1.4
71.01369	2.9
73.02943	0.6
79.95727	9.4
80.96510	5.9
83.01371	1.0
85.02942	1.0
87.00874	3.2
89.03970	0.6
95.01363	0.4
96.96003	48.7
99.00847	0.4
101.02420	3.7
113.02448	1.9
117.03455	2.0
122.97587	0.4
134.03731	21.4
135.04066	0.7
137.96312	0.4
138.97092	3.7
139.82607	0.3
149.06065	1.3
150.97073	0.9
166.96561	3.7
178.02727	0.9
193.05046	15.9
194.05383	0.6
204.40114	0.3
241.00215	100.0
242.00539	2.7
258.81085	0.3
435.05899	7.3
436.06284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.08107	0.5
78.95898	50.1
89.54514	0.2
96.96960	5.0
128.02345	0.2
150.98016	2.3
152.99576	100.0
153.99934	1.5
171.00629	3.9
176.02782	0.2
182.85832	0.2
279.23267	0.8
419.51678	0.3
433.23535	8.6
434.24023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.56938	0.2
53.11436	0.2
63.35065	0.2
71.07977	0.3
71.08289	0.2
78.95901	49.9
95.03951	0.2
96.96960	6.3
135.23975	0.2
146.42476	0.2
148.71350	0.2
150.97990	1.8
152.99577	100.0
153.99919	1.5
171.00624	4.1
175.02919	0.2
279.23376	0.9
433.23566	10.2
434.24026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.0
61.98824	100.0
66.02103	0.2
71.01390	1.0
72.99309	0.7
74.81644	0.3
75.00862	1.5
79.95740	0.7
85.02956	0.7
87.00863	0.4
89.02467	0.4
96.96008	2.0
101.02540	0.3
102.06036	0.2
109.02940	0.6
113.02428	0.5
146.03719	0.6
147.04582	0.3
158.03746	0.3
159.04486	0.5
171.67734	0.2
175.03970	0.5
203.67451	0.2
213.14934	2.8
258.92184	0.3
268.07358	1.7
283.09732	3.0
327.08719	0.4
354.16876	0.6
371.07739	0.9
408.94873	0.3
434.13986	0.2
435.13412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.2
59.01130	1.6
59.01372	16.7
59.59174	1.7
61.98826	100.0
68.99827	2.6
69.03437	3.7
71.01379	15.8
71.62938	2.4
72.01682	1.3
72.99298	6.5
73.02924	2.9
73.22459	1.4
74.02475	1.7
75.00879	9.3
79.95719	1.7
83.01326	2.7
85.02939	23.3
86.03275	3.6
87.00875	7.3
87.04496	2.0
89.02452	3.8
95.01360	2.8
96.96015	13.1
97.02901	5.7
98.03258	2.3
99.00884	8.2
100.01280	1.8
111.00874	2.1
113.02452	14.7
115.03989	2.5
117.01947	1.9
121.02149	3.3
121.02946	43.3
128.96962	1.6
129.01915	8.8
134.03728	1.6
141.01860	2.3
154.99814	1.8
175.02399	2.0
179.10768	2.0
180.11063	2.0
191.05560	4.7
197.11813	16.6
198.12175	19.6
209.06624	7.0
210.06972	2.7
231.05005	2.2
241.00212	2.9
241.10681	6.1
242.11073	7.4
249.06143	28.7
256.99643	3.3
289.79825	1.6
371.09766	87.7
372.10272	7.4
396.87933	1.5
416.15793	1.8
417.13681	2.7
433.16751	4.6
434.17300	53.7
435.06100	1.7
435.17841	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	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64411	0.8
55.01864	1.7
57.03451	5.8
57.53666	0.9
59.01373	22.3
59.01669	1.5
61.98846	0.9
67.01876	1.5
68.99812	2.0
69.03455	5.2
71.01376	11.1
71.62865	1.6
71.63241	1.2
72.99311	4.5
73.02933	2.0
79.95776	1.0
81.03466	1.5
83.01388	2.7
83.05026	1.4
84.02151	1.3
85.02947	27.1
87.00869	8.2
87.04484	1.4
89.02446	4.3
89.80882	1.0
95.01377	1.9
96.95997	8.4
97.02932	9.4
97.06593	2.6
98.95626	1.5
99.00877	5.7
99.04481	1.2
101.02458	3.7
111.00896	3.4
113.02453	3.0
115.04013	2.9
123.08171	1.4
129.01929	20.6
138.01996	3.1
139.02322	1.5
141.01942	6.3
149.02408	2.1
151.11317	1.1
153.12878	1.7
159.02971	3.2
162.22751	1.1
179.10806	6.1
191.05582	11.3
195.10222	2.8
197.11813	69.8
198.12177	4.0
209.06639	36.4
210.06960	2.2
211.07114	1.1
223.09799	1.8
223.91754	0.9
227.07378	1.2
241.10817	27.8
242.11064	1.4
329.60660	1.2
415.16135	2.1
433.17160	100.0
434.17563	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	433.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03444	5.1
58.12886	0.9
59.01098	1.2
59.01374	16.0
61.98820	11.8
64.03073	1.1
67.01878	1.7
68.99808	2.4
69.03436	7.2
69.29885	9.2
71.01379	9.6
72.99297	3.7
73.02921	1.7
75.00871	2.3
83.01366	3.2
83.04994	1.1
85.02946	20.8
87.00863	6.8
87.04493	3.1
89.02436	3.8
95.01379	1.1
96.96013	3.1
97.02940	10.8
97.06557	1.2
98.20737	1.7
99.00882	5.2
101.02425	1.3
107.59595	0.9
109.02962	1.8
111.00864	2.5
113.02442	4.4
115.03989	3.7
121.02949	7.2
129.01936	11.5
129.96008	0.9
141.01936	7.0
147.81032	0.9
149.06023	0.8
151.11218	1.6
153.01923	2.1
159.03009	1.8
179.10754	7.9
191.05580	10.0
195.10236	2.4
197.11809	56.2
198.12122	3.2
209.06647	6.8
241.10797	18.6
242.11153	1.1
249.06129	4.5
265.14435	1.1
371.09787	10.5
415.16098	2.9
433.17087	100.0
434.17337	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1712
Annotation	Secologanin dimethyl acetal
Peak:m/z	Relative Intensity
57.03443	5.1
58.00607	1.0
59.01373	12.8
60.59336	0.8
64.80600	0.8
68.99793	2.2
69.03458	5.8
71.01380	9.2
71.39296	1.1
72.99289	5.2
73.02944	1.6
83.01364	2.6
83.03004	1.0
83.29573	0.8
85.02943	18.2
87.00867	6.2
87.04499	1.6
89.02430	2.3
96.95990	3.4
97.02949	10.6
99.00871	4.0
101.02448	1.9
109.06507	0.8
111.00867	2.6
113.02424	3.7
115.03989	3.7
119.03503	1.6
129.01936	10.5
136.93546	1.0
141.01923	4.7
151.11246	1.4
159.02957	1.5
161.09634	1.9
179.10756	7.0
191.05588	7.7
195.10182	2.9
197.11816	56.6
198.12132	2.7
208.59494	0.9
209.06648	5.1
223.09908	1.1
241.10806	22.1
253.14464	3.2
389.18045	1.6
415.15964	3.8
433.17053	100.0
434.17276	10.1
454.30377	1.0
459.61191	0.9
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	Secologanin dimethyl acetal
Peak:m/z	Relative Intensity
55.01862	1.5
57.03442	8.2
59.01375	45.6
59.10902	0.6
61.98810	1.2
67.01869	1.2
68.99805	2.4
69.03455	5.5
69.41264	4.9
71.01381	11.6
72.99308	5.1
73.02924	1.7
75.00866	0.9
79.95710	0.9
83.01382	3.7
85.02946	20.7
87.00872	6.2
87.04503	3.1
87.81762	0.7
89.02429	2.3
95.01342	0.9
96.96011	3.9
97.02944	8.3
99.00875	5.2
99.04498	1.5
101.02418	2.6
111.00832	3.3
113.02499	2.9
115.04012	3.5
119.03483	1.3
119.08647	2.7
121.06535	0.6
123.04459	0.6
129.01939	14.5
135.08179	0.6
137.09708	4.0
139.00371	0.7
141.01935	6.0
141.05518	0.8
159.03003	1.5
161.09656	0.7
163.07680	0.9
171.89886	0.7
173.00034	0.5
173.04523	0.7
179.10849	2.9
179.12131	0.7
181.08650	4.2
184.24727	0.6
191.05592	7.6
197.11801	14.0
198.12059	0.6
209.06656	13.7
223.09689	1.3
237.09138	1.0
241.10834	9.2
241.14430	1.1
249.06204	1.0
267.07181	1.1
371.17050	0.7
373.14923	0.8
383.13727	1.0
415.15973	2.3
420.63412	0.7
433.16977	100.0
434.16989	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	433.1499
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
56.32935	0.5
57.03422	0.7
59.01373	8.6
61.98818	0.6
67.01878	1.1
68.99805	0.9
71.01392	3.0
72.99280	0.7
73.02940	2.3
75.00861	1.3
79.95734	1.3
83.01372	3.4
85.02942	0.9
87.00849	0.6
89.02467	2.0
93.03493	0.6
95.01380	11.7
96.96000	4.6
97.02953	0.9
97.34566	0.5
98.19809	1.2
98.95589	1.5
99.00854	0.5
101.02427	2.1
109.02952	1.1
111.00889	2.7
112.55768	0.5
112.98775	0.7
113.02425	1.4
115.07932	0.5
116.98261	0.6
119.05080	0.6
120.65486	0.5
121.02972	1.0
121.06562	0.8
123.00875	9.7
123.04665	0.7
124.01666	4.1
125.02428	2.5
127.00352	3.1
135.04517	1.3
136.98807	1.9
137.02443	1.9
138.03244	3.6
139.00363	12.2
139.04010	4.8
140.01241	1.2
142.50282	0.6
145.02933	1.7
147.04524	1.3
149.02354	1.1
151.00349	1.4
151.03992	0.7
152.01112	1.7
153.01921	3.3
153.05592	2.5
154.02672	1.2
161.02426	1.1
162.03232	3.3
163.04025	1.3
166.02692	4.7
167.03477	2.2
168.04243	1.0
171.52321	0.6
175.03979	2.3
176.01189	1.9
176.04709	0.7
177.01924	5.2
177.05562	4.5
178.02699	10.6
178.06181	0.8
181.05037	4.3
188.01123	0.9
189.01936	1.5
190.02716	1.4
191.03485	4.0
192.04251	3.6
192.07854	1.0
193.05040	14.8
203.03484	2.9
204.04295	2.5
205.05054	1.5
206.05750	0.6
207.06598	6.4
209.61781	0.5
218.05870	5.1
219.03098	1.1
219.06544	1.5
221.04535	1.6
223.06090	1.9
233.04402	0.6
234.05353	1.7
235.06123	1.0
249.07396	0.8
285.03723	0.6
313.03677	0.7
315.08716	0.8
325.07016	0.9
327.08975	0.6
339.08304	0.7
342.07138	0.6
343.08139	4.4
355.07993	3.1
357.09866	0.8
358.10580	11.6
359.11127	2.0
363.87711	0.7
370.10294	1.1
371.11044	0.8
373.09128	2.3
373.12924	33.8
374.13339	4.4
385.09140	1.6
385.13043	1.8
389.17993	1.0
403.10086	8.6
403.14102	12.6
404.14722	1.1
417.11740	0.8
418.12616	13.3
419.12878	0.7
433.15021	100.0
434.15317	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	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
57.03447	1.2
59.01375	100.0
60.01712	1.3
69.03450	0.7
69.44775	1.5
69.45181	0.6
71.01377	15.8
72.99309	0.5
73.02940	5.8
75.00851	0.3
79.95742	0.4
83.01375	2.4
85.02943	7.7
85.03442	0.5
86.00121	0.4
87.00900	1.0
89.02441	4.7
91.64188	0.3
95.01391	1.7
96.95997	2.2
97.02961	0.6
99.00877	1.9
101.02434	11.9
110.33452	0.3
111.00922	0.3
113.02438	7.8
114.02762	0.4
119.03454	2.0
125.02480	0.8
129.01910	0.4
131.08589	0.4
143.03493	1.2
147.11823	1.0
151.00398	0.3
159.03046	1.2
161.04532	5.8
161.05829	0.3
166.02739	1.0
167.03551	0.3
179.05603	0.8
209.11887	0.3
212.95326	0.3
227.16576	0.7
241.00322	0.3
261.01291	0.3
311.05701	0.7
371.20679	6.3
372.21426	0.4
386.58371	0.3
389.21765	19.7
390.22049	1.9
431.10336	0.5
431.16263	1.5
431.23169	3.0
432.23407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64088	1.0
59.01375	22.1
61.98833	7.5
68.00787	0.9
69.38255	9.5
71.01365	1.3
78.32153	1.1
78.95892	3.2
79.46484	1.1
87.00874	6.5
96.95995	2.0
102.37540	1.0
106.12744	0.9
112.71163	1.0
112.98495	1.0
120.99645	5.8
150.81659	1.2
152.99614	6.9
176.89212	1.1
258.07993	1.1
263.20197	1.8
277.21674	41.6
278.22064	2.8
297.10059	1.2
311.20459	64.4
312.20767	4.2
412.51535	1.0
431.24686	100.0
432.24857	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	431.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80689	2.1
58.27800	2.3
59.01376	100.0
61.98819	5.4
78.95897	25.1
84.62563	2.0
93.50227	2.3
96.95998	16.5
96.96947	3.1
108.34631	2.1
137.26846	2.4
152.99564	36.8
179.95950	2.3
195.89246	2.4
197.34515	2.7
201.87590	2.5
229.05559	3.0
253.21576	3.5
271.22754	37.3
272.23163	4.8
275.20267	2.5
311.24689	2.4
313.23801	39.4
394.84406	3.1
431.22650	9.0
431.32233	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	431.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08733	1.7
55.17424	1.6
59.01366	4.6
60.74395	1.5
61.98825	100.0
63.42758	1.6
70.57915	6.0
98.05325	1.8
152.99590	2.6
165.01862	1.5
201.66902	1.8
224.79764	1.7
276.51022	1.7
431.31290	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	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50950	1.1
53.85641	1.0
55.01877	1.4
57.03444	10.7
59.01376	71.4
67.01876	1.3
68.99813	1.9
69.03452	6.4
69.52801	2.7
69.53200	5.9
71.01389	8.9
72.99301	4.0
73.02929	1.3
81.03450	2.8
83.01376	4.4
83.93822	1.3
85.02951	26.4
87.00871	9.1
87.04518	2.3
89.02449	1.6
95.05026	3.6
97.02951	10.4
97.06577	2.1
99.00869	5.2
101.02450	1.7
109.02959	2.7
109.06561	3.0
111.00871	5.3
113.02425	2.1
115.04011	3.8
129.01936	19.5
135.08159	3.0
141.01920	5.4
141.05579	6.1
153.01985	2.1
159.01065	1.2
159.02940	3.9
170.22011	1.2
177.09198	5.5
179.07144	1.4
191.05553	12.5
195.10252	27.7
209.06642	27.1
221.08203	1.2
225.11972	1.2
239.06818	2.8
239.09235	53.7
240.09537	3.6
413.14392	2.1
431.15546	100.0
432.15924	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	431.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24218	0.9
55.01859	1.5
57.03442	2.1
59.01375	100.0
61.98826	15.7
62.87332	0.9
69.03481	1.1
70.32639	1.7
70.33044	3.3
71.01376	28.2
72.99297	2.3
73.02941	25.5
83.01383	8.6
85.02964	7.1
87.00860	1.9
88.98795	1.3
89.02435	8.5
95.01402	1.3
96.96000	7.0
97.02933	1.3
99.00896	1.4
101.02440	26.5
113.02435	7.2
119.03490	3.4
121.10255	3.2
125.02459	1.2
128.40097	0.9
129.01897	1.2
135.04527	1.2
143.03481	1.2
154.09825	0.9
159.02913	1.1
161.04507	7.7
165.09183	6.0
179.05626	1.9
183.10297	1.2
191.05640	1.5
209.11818	1.7
327.14407	1.4
345.15509	3.7
387.16513	21.3
388.16605	1.4
389.21841	5.6
431.14270	1.7
431.19266	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	431.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
57.03436	1.0
58.00567	1.3
59.01376	91.4
60.01700	0.7
63.43599	0.7
70.79554	2.1
71.01374	28.3
72.99308	1.5
73.02944	100.0
74.03285	1.2
79.95747	1.8
83.01389	2.3
85.02946	9.7
87.00874	1.0
89.02441	16.0
95.01392	2.3
96.95999	8.8
99.00890	1.8
99.04515	15.1
101.02441	15.7
113.02441	11.0
119.03486	6.1
143.03522	1.0
159.03052	1.1
161.04543	3.9
179.05681	1.7
189.12915	3.7
207.13866	16.0
208.14291	1.2
233.11760	0.8
241.00319	1.5
251.12862	52.9
252.13281	3.7
253.18060	3.4
259.24213	0.7
345.24277	0.7
357.19089	0.9
389.22217	2.7
431.23361	86.5
432.23679	8.7
446.62857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2199
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
50.47088	0.2
53.78519	0.2
59.01367	0.4
62.96394	0.3
69.47539	1.7
69.47886	0.2
78.95897	52.3
96.96954	6.6
108.49170	0.2
150.97989	2.0
152.99573	100.0
153.99881	1.2
171.00639	3.8
219.01212	0.3
277.21756	0.5
431.21967	7.0
432.22287	0.6
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
55.01864	0.6
57.03434	0.4
58.79038	0.3
59.01375	100.0
60.01721	1.1
61.98826	0.5
62.22564	0.3
69.29937	3.1
71.01376	5.4
72.01684	0.3
73.02934	1.6
78.03431	0.3
79.95734	0.3
83.01392	0.6
85.02945	2.2
85.85854	0.3
86.96206	0.3
89.02451	3.6
96.96024	1.0
99.00918	0.6
99.04517	1.6
101.02447	4.0
113.02437	2.8
119.03514	1.1
161.04581	0.9
162.56935	0.3
170.17462	0.4
173.47356	0.3
189.12869	0.5
190.02687	0.4
207.13943	1.4
251.12848	6.7
261.52951	0.3
300.86481	0.3
331.45203	0.3
356.00916	0.4
389.21732	4.7
390.22052	0.4
401.12463	1.2
431.18295	2.0
431.23886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	0.3
59.01375	100.0
60.01715	1.0
61.98832	0.8
71.01376	6.9
71.08148	0.6
72.01749	0.4
72.99312	0.3
73.02959	1.7
79.95731	0.8
81.92421	0.3
83.01397	1.0
85.02936	2.2
86.03319	0.4
89.02439	3.9
95.01372	0.5
96.96025	1.5
98.95603	0.5
99.00901	0.3
99.04513	1.5
101.02427	3.9
109.70303	0.3
113.02441	2.5
119.03505	1.1
138.03194	0.4
159.03065	0.5
161.04587	1.2
189.12874	0.4
207.14026	1.9
251.12868	7.1
256.99738	0.3
371.07681	0.4
371.20807	0.4
387.11221	0.4
389.21741	5.3
390.22406	0.6
401.12369	0.9
406.96182	0.3
431.18878	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.3
59.01370	6.3
60.12862	0.7
71.01369	0.9
75.00864	0.9
84.00206	0.8
96.96000	1.3
97.06578	13.9
120.99690	0.9
123.08158	5.7
125.09716	100.0
126.10040	3.9
143.10770	1.5
169.08699	3.2
187.09738	79.9
188.10066	2.8
243.12367	1.2
246.58655	0.8
261.13370	19.4
262.13766	1.6
431.22794	69.9
432.23383	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	431.2278
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
50.47984	0.7
55.01876	2.0
57.03461	0.9
59.01377	68.2
64.79408	0.8
69.46820	6.3
71.01381	23.7
71.01755	1.6
72.99300	1.6
73.02945	94.1
74.03316	1.4
79.95752	1.5
80.96532	0.9
83.01401	2.4
85.02949	8.9
89.02440	13.3
95.01400	1.9
96.96004	8.7
99.00917	1.1
99.04501	9.0
101.02440	13.1
113.02454	7.3
119.03527	4.5
121.06610	1.1
130.18358	0.8
139.86499	0.8
161.04579	2.8
180.19826	0.8
189.12895	1.9
207.13899	9.1
220.15833	0.8
237.60120	0.9
241.00378	1.5
251.12869	39.1
252.13345	3.0
253.18182	3.0
331.60687	0.9
345.72937	0.9
389.22183	1.9
398.88751	0.8
429.19055	1.0
431.23166	100.0
432.23605	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	430.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67057	0.3
59.01375	2.4
61.98828	100.0
70.62756	1.0
71.01385	1.1
72.77071	0.3
81.13230	0.3
85.02947	0.3
86.83639	0.3
89.02441	0.8
93.03452	0.5
96.96035	1.1
101.02444	0.6
111.80064	0.3
113.02460	0.4
135.04521	0.7
137.02419	1.9
209.06589	0.4
267.07101	0.3
423.04797	0.4
430.14758	0.6
431.15891	0.7
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
59.01374	8.1
61.98825	100.0
63.53187	0.2
71.01389	0.8
71.02460	0.2
71.61984	0.5
72.88985	0.2
73.02962	0.3
76.43198	0.3
79.95734	0.4
85.02962	0.6
87.00884	0.6
87.53336	0.2
88.04081	0.3
89.02484	0.3
96.96002	3.0
99.00881	0.2
108.04594	0.3
115.00384	0.5
161.02602	0.3
179.03526	0.4
185.50131	0.3
194.05865	0.3
195.10260	0.4
209.06552	0.7
209.08275	1.1
220.00044	0.2
239.09224	0.8
242.83195	0.3
267.18213	0.3
282.05121	0.3
285.19357	0.3
315.03683	0.3
346.78647	0.3
417.54080	0.4
429.60312	0.9
430.09653	0.5
430.14938	1.8
431.16220	1.2
431.21048	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00519	0.3
58.02954	0.8
59.01370	1.8
69.42304	1.2
69.42731	1.5
71.01380	0.3
77.64510	0.3
78.91876	0.3
78.95893	1.4
93.03461	0.5
95.04995	0.3
108.02125	0.6
109.02961	1.7
120.04590	0.3
121.02948	3.6
122.03732	0.6
122.06145	0.6
123.04504	8.1
124.04810	0.5
131.03741	1.1
132.04535	0.9
133.02879	0.7
148.04045	5.8
149.04807	15.9
149.06009	0.8
150.05592	23.9
151.05963	0.8
152.99594	2.3
161.06076	1.6
175.07640	0.4
176.03510	4.6
203.28697	0.3
217.12401	0.6
289.10602	0.3
385.27457	0.7
394.27380	1.5
412.28506	100.0
413.28873	12.4
430.29483	2.4
431.21777	0.4
431.30316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19363	0.4
51.12632	0.3
61.98827	1.7
65.10626	0.3
69.90618	1.0
69.91029	1.2
124.04086	0.4
130.08728	100.0
131.09047	2.7
242.60767	0.5
350.34174	3.6
394.33203	75.9
395.33490	9.3
430.32516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30526	0.3
58.19957	0.3
59.01357	1.4
59.74444	0.3
60.99305	13.2
61.09198	0.3
63.74939	0.3
66.82950	0.3
71.01374	1.4
71.13352	0.8
72.14771	0.4
72.99308	0.3
73.02950	0.4
78.95914	0.6
87.00856	0.5
88.04057	0.5
88.98801	100.0
89.02437	1.4
89.99125	1.0
93.03471	0.3
96.96011	1.2
96.96930	0.5
108.02167	0.7
110.19125	0.3
111.00901	0.7
113.02444	0.5
117.01965	0.8
123.04520	1.2
127.05096	0.5
128.03540	0.4
131.04614	0.3
133.05070	0.4
137.02444	0.8
143.03305	0.3
152.01166	0.6
153.01813	0.4
153.05559	1.7
153.76445	0.3
235.06584	0.4
267.07254	0.7
311.05554	0.4
315.07202	1.2
413.16968	0.6
431.11636	0.3
431.17007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25499	0.3
56.24899	0.3
57.59461	0.2
57.89746	0.2
59.01376	4.5
61.98826	100.0
70.02982	0.2
71.01384	1.6
71.62442	0.4
72.99319	0.3
73.04057	0.3
75.00879	0.4
78.95897	0.5
82.02991	0.3
85.02947	0.8
86.02444	0.4
87.00877	0.6
88.98805	0.8
89.02454	1.0
93.03484	0.5
95.01376	0.4
96.00893	0.5
96.96007	3.6
97.02895	0.4
98.02500	0.4
99.00887	0.3
101.02451	0.7
109.01725	0.3
109.02953	0.5
113.02425	0.7
113.03577	0.6
119.05013	3.5
120.01211	1.5
121.06581	0.4
123.03253	0.4
127.05171	0.5
128.03537	0.7
130.08742	0.7
131.04651	0.3
137.02438	2.5
138.05595	1.2
149.06073	6.5
151.03899	0.3
183.04877	1.1
195.10239	0.3
209.06674	0.6
239.09238	0.8
241.00288	0.4
241.11923	0.7
249.06178	0.4
267.07150	2.2
270.07797	0.5
281.11575	0.4
298.14276	0.7
323.60629	0.3
345.10172	0.3
368.13348	3.3
369.13620	0.3
369.17807	0.4
387.18762	0.5
413.16403	0.5
413.21133	0.4
431.11731	2.7
431.21701	0.9
432.13165	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.3
60.99301	15.4
61.98830	18.8
62.19843	2.9
63.69388	2.9
71.01370	21.8
71.61163	4.6
73.02947	5.1
73.04068	3.3
74.02490	5.0
75.00877	4.6
76.40897	3.2
78.95904	6.6
79.95720	5.4
80.96497	7.0
85.02922	7.0
88.04033	4.0
88.98799	100.0
89.02428	10.9
93.03432	4.6
95.87028	3.6
95.95224	4.6
96.00896	5.5
96.96003	83.0
96.96946	7.8
98.95571	5.4
99.00855	4.4
101.02420	11.3
101.45379	3.6
113.02412	7.7
113.03582	4.3
115.00366	6.7
115.08755	3.2
117.39519	3.8
118.79259	3.5
118.94193	14.1
124.04030	3.7
127.05100	5.7
128.03516	14.4
129.98700	3.7
130.08707	5.9
132.02983	3.6
135.04446	8.6
137.02408	15.0
138.97093	22.6
145.06131	3.5
149.04604	4.0
151.04024	3.4
153.05579	5.0
161.04532	6.6
164.07019	4.2
191.05547	3.8
208.70377	3.6
226.11844	3.2
241.00218	16.4
254.25720	3.4
262.98318	5.6
317.54337	3.3
341.14816	4.3
387.03543	5.6
395.10730	5.7
395.15512	63.9
396.15479	6.7
413.16788	10.3
431.02420	30.9
431.08279	12.2
431.13031	65.5
431.17508	4.9
431.22012	6.6
432.13602	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2124
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01868	1.1
57.03433	1.6
58.00583	0.6
59.01377	33.8
61.98823	0.4
64.55488	0.3
69.03446	1.3
69.94678	1.1
71.01379	16.8
72.99297	1.5
73.02934	4.8
75.00877	0.5
79.02789	0.3
79.95719	0.6
83.01373	2.8
83.05060	0.5
85.02944	7.0
86.00095	0.7
87.00869	4.1
89.02424	2.6
95.01372	1.1
96.95991	4.8
97.02944	1.2
98.20594	0.6
99.00857	1.8
101.02443	7.8
111.00864	0.5
112.01707	0.6
113.02454	4.4
119.03492	0.7
124.01642	1.0
125.02430	1.8
129.01952	0.4
141.80965	0.4
143.03500	0.7
145.03935	0.4
193.79681	0.4
207.13858	1.0
225.14944	11.7
237.14978	0.7
256.99664	0.5
267.16046	0.7
285.18448	0.4
342.11368	0.4
349.20135	1.3
369.19138	14.4
370.19507	1.0
387.20197	38.6
388.20593	3.9
397.21820	0.4
411.20212	0.6
429.21249	100.0
429.65213	0.8
430.16617	0.6
430.21609	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	429.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
59.01376	100.0
60.01707	1.3
69.70601	1.9
69.71006	1.8
71.01389	6.3
72.99290	0.7
73.02950	2.1
75.00876	0.7
79.95738	0.7
83.01395	1.0
85.02959	3.1
89.02457	3.0
96.95980	3.0
97.02914	0.7
98.20640	0.7
100.67874	0.7
101.02413	4.2
113.02447	2.7
115.92073	1.0
116.92893	1.0
119.03535	1.5
129.01947	1.5
161.04553	1.1
163.14934	1.9
172.63185	0.6
184.81279	0.6
191.05623	1.1
237.14987	3.6
385.29813	1.3
429.21329	2.6
429.28543	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	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48246	0.3
55.01881	0.5
57.03436	1.3
58.00592	0.7
59.01373	100.0
59.14120	0.3
60.01705	0.9
61.98830	0.4
63.75365	0.3
67.01898	0.3
69.03461	0.4
69.80327	1.7
71.01376	11.9
71.05019	0.9
71.38058	0.2
72.99303	0.7
73.02939	4.7
75.00862	0.4
79.86498	0.3
79.95747	0.7
83.01379	2.0
85.02946	5.9
87.00873	1.6
89.02429	5.1
93.03441	0.5
95.01405	1.3
96.96001	9.0
97.02951	0.6
98.95601	0.9
99.00858	1.4
99.04501	0.3
101.02438	7.6
109.02940	3.2
111.00928	0.5
113.02440	6.3
115.03914	0.3
117.05633	0.3
119.03489	1.6
123.08140	0.4
125.02437	0.4
128.52551	0.3
129.01949	0.6
135.00914	0.3
135.04449	0.3
136.81775	0.3
137.02467	1.3
137.09753	0.9
138.97046	0.5
143.03482	0.9
146.41118	0.3
150.92241	0.3
151.11302	0.9
153.01935	3.3
159.03087	0.4
161.04536	1.4
162.02318	0.6
163.11322	1.1
172.20399	0.3
179.05563	0.5
179.41360	0.3
181.12392	1.3
181.99443	0.4
182.28978	0.3
191.05716	0.5
195.13904	0.9
197.15485	0.5
207.13858	1.7
223.13400	0.4
225.14912	7.6
241.00323	1.1
311.07712	1.1
315.07309	1.1
369.19122	17.0
370.19620	1.8
374.32339	0.3
387.20209	14.0
388.20688	1.2
393.48761	0.3
396.48044	0.3
429.14227	9.1
429.21338	2.9
429.64578	1.1
430.14865	0.5
430.21725	0.3
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
55.01875	1.6
57.03439	2.6
58.00594	0.4
59.01377	100.0
60.01721	1.0
63.27719	0.4
69.48012	3.2
71.01377	21.9
71.05024	0.7
72.01704	0.4
72.99296	1.2
73.02950	7.2
74.02467	0.8
83.01370	3.2
83.01792	0.3
83.60420	0.4
85.02946	11.6
87.00876	1.1
89.02437	7.7
95.01377	3.0
96.96004	4.4
97.02974	0.8
99.00887	1.9
101.02439	14.6
102.02808	0.4
109.02975	1.3
111.00871	0.4
112.01699	0.7
113.02448	12.3
115.05114	0.5
119.03507	3.1
125.02451	0.7
131.03537	0.8
137.09714	0.7
143.03474	2.3
143.11867	0.5
151.11293	0.7
153.01866	2.3
159.03006	1.3
161.04543	4.9
163.11320	0.8
179.05605	0.7
181.12379	0.8
189.12857	0.7
195.13899	1.5
201.06491	0.4
207.13959	2.4
225.14957	8.3
226.15331	0.6
241.00299	1.4
256.99899	0.6
321.17029	0.6
345.35641	0.5
351.38663	0.5
369.19141	26.2
370.19662	2.9
387.20218	28.8
388.20709	2.4
399.22687	1.4
429.09476	0.6
429.14630	2.0
429.21616	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	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
59.14254	0.3
60.01712	1.0
61.98827	1.2
69.65629	2.2
78.95899	0.6
89.02465	0.5
91.03981	2.3
91.41244	0.3
96.96001	3.4
101.58179	0.4
103.50851	0.4
152.99544	0.7
195.13948	1.2
277.21732	1.1
295.22742	12.3
296.23178	0.9
429.22348	0.4
429.30118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01714	1.1
61.98823	1.0
78.95885	0.8
91.04006	1.5
94.03244	0.4
96.95998	1.2
123.04574	0.5
150.05638	0.9
152.99588	1.4
156.26457	0.4
171.10339	0.8
180.92113	0.4
195.13884	0.6
197.72284	0.5
257.39941	0.5
277.21744	1.9
295.22754	8.0
296.23154	1.0
381.31406	0.5
411.28949	0.5
429.30460	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	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.64188	0.3
58.00603	0.5
59.01377	79.4
60.01714	0.7
69.03471	0.4
70.74135	0.6
70.74461	0.4
71.01379	12.2
72.99318	0.4
73.02943	19.9
83.01386	4.5
85.02965	1.6
87.00882	0.8
89.02441	5.2
95.01405	0.4
96.95997	0.7
97.02957	0.5
99.00865	0.4
101.02441	13.0
113.02433	2.8
119.03509	1.3
125.02466	0.6
131.03525	0.7
136.49973	0.3
143.03525	0.9
148.01857	0.4
153.95486	0.3
161.04507	0.9
161.22957	0.3
163.11281	5.0
184.86594	0.4
207.10249	13.7
208.10585	0.6
229.09952	0.4
254.80132	0.5
369.15506	3.3
387.16599	8.5
388.16833	0.7
429.17615	100.0
430.17987	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	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.7
59.01375	100.0
60.01718	0.7
63.45852	0.4
69.03436	0.5
69.31591	4.1
71.01373	14.2
72.99304	0.8
73.02940	19.9
81.03462	0.7
83.01379	4.6
85.02955	2.1
87.00904	0.9
89.02441	6.0
95.01365	0.5
96.96024	1.9
97.96987	0.4
98.20643	1.0
99.00883	0.6
101.02430	13.2
101.03078	0.8
102.04385	0.4
113.02438	3.8
118.48670	0.5
119.03497	1.8
125.02438	0.5
131.03502	1.1
143.03522	0.8
147.08163	0.8
149.04547	1.5
155.03584	0.5
161.04532	2.1
163.11263	13.2
164.11613	0.6
207.10234	2.5
225.11273	0.7
252.35268	0.4
255.98021	0.4
267.07428	0.5
311.07645	0.6
362.37558	0.6
369.15552	2.5
387.16458	11.0
388.16977	0.7
393.17630	2.2
425.88861	0.5
429.17645	73.0
430.18057	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.7
57.03437	1.9
58.00586	3.6
59.01376	100.0
63.67644	1.2
68.44613	1.1
71.01378	54.1
72.99304	2.9
79.95731	1.4
81.07111	1.3
83.01356	1.6
85.02943	11.6
87.00867	3.5
89.02437	63.6
91.55624	1.3
95.01366	4.3
96.96022	5.6
98.20609	3.3
99.04496	7.6
101.02437	25.9
111.04533	2.1
113.02440	20.1
119.03504	32.1
126.13998	1.5
131.03467	3.3
143.03488	5.1
149.04541	2.8
161.04541	4.4
161.13345	20.5
162.13652	2.5
179.05579	13.0
187.11232	4.8
204.13480	1.3
205.12299	62.7
206.12593	3.5
248.22351	1.5
249.11285	66.0
250.11671	5.5
312.15543	1.2
385.11682	2.3
385.18564	2.6
397.37372	1.3
429.12326	2.4
429.17599	30.0
430.18057	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96741	0.1
57.21558	0.2
58.90515	0.1
59.01375	0.6
61.98813	0.2
70.95300	0.2
70.95644	0.3
71.01381	0.3
73.02935	0.1
73.41196	0.1
99.00868	1.1
99.92580	5.4
100.92687	0.2
100.93359	4.3
112.13743	0.1
113.02443	0.1
115.92072	100.0
116.92078	4.8
116.92860	5.9
117.92816	0.2
117.93663	0.2
132.92352	1.0
142.94377	0.3
155.95268	0.2
172.95459	5.1
173.95506	0.4
213.45354	0.1
255.23224	0.8
268.22537	0.1
355.15814	0.6
356.16074	0.2
371.15240	0.2
381.17548	0.8
411.18546	0.2
429.19467	5.5
430.19604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30647	1.4
55.28160	1.4
55.72523	1.3
57.03450	1.5
58.00579	3.4
59.01374	100.0
67.62408	1.5
70.09674	3.7
70.10056	2.8
71.01378	55.1
72.01720	1.5
72.99300	4.0
73.02944	2.1
79.95731	6.5
80.96525	1.5
83.01395	3.8
85.00795	1.3
85.02950	8.9
87.00854	3.0
89.02437	65.8
94.20766	1.4
95.01376	3.7
95.95237	3.7
96.96008	53.3
98.19822	1.7
99.04506	13.3
101.02435	29.0
111.16843	1.6
113.02439	24.2
119.03491	28.2
131.03474	2.7
143.03459	5.7
149.04517	2.7
161.04510	3.4
161.13354	26.0
179.05580	9.8
187.11223	2.5
193.71053	1.5
205.12308	56.5
206.12570	5.0
225.00598	1.7
241.00201	9.8
243.99298	1.6
246.04604	1.7
249.11293	57.0
250.11632	4.9
385.18311	2.1
403.46954	1.7
429.13535	51.9
430.14737	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13105	0.8
55.01868	0.8
57.03432	1.5
58.00583	3.0
59.01376	100.0
60.01705	1.3
61.19181	0.9
63.30897	0.8
69.03453	4.4
69.35445	7.9
71.01378	33.7
72.99287	1.3
73.02947	2.1
81.07083	0.9
83.01390	1.8
85.02940	11.4
87.00871	1.4
89.02440	36.0
95.01401	2.8
96.95995	2.6
99.00912	1.0
99.04515	3.1
101.02438	18.2
113.02438	20.9
119.03493	16.5
131.03503	2.8
137.09723	1.0
143.03461	2.3
149.04570	1.2
161.04538	3.0
161.13344	12.7
168.32484	0.9
179.05606	8.2
182.18692	0.9
187.11366	1.5
205.12305	29.3
206.12828	1.2
220.23573	1.0
249.11278	44.9
250.11612	3.2
251.16504	2.4
267.12396	1.2
267.16113	1.1
410.03989	0.9
429.17245	30.1
429.21381	35.9
430.17386	2.9
430.22745	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03445	0.8
58.00587	1.0
59.01376	100.0
60.01709	1.0
69.03458	0.9
69.70924	1.2
69.71330	1.9
69.79251	0.5
71.01379	17.5
72.99319	1.0
73.02942	13.9
75.00877	0.5
79.95759	1.7
80.96519	0.8
83.01389	2.9
85.02950	6.8
85.03448	0.7
87.00890	1.4
89.02441	6.9
95.01392	1.7
96.96005	10.4
97.02955	0.5
98.19913	1.0
98.95595	0.5
99.00888	0.6
101.02439	13.0
101.03076	0.8
107.05061	0.5
111.60661	0.5
113.02449	9.1
119.03513	2.0
125.02448	0.9
128.03580	1.5
129.11705	0.5
131.03545	0.9
137.02448	0.9
138.97107	1.0
143.03519	0.9
145.10223	0.5
147.08235	0.6
150.03256	1.2
161.04565	1.6
163.11247	7.9
164.11562	0.7
165.05597	2.2
182.41736	0.5
207.10243	15.0
207.12097	0.8
208.10620	0.7
209.43375	0.5
241.00233	1.3
256.99698	0.5
369.15491	13.3
370.16043	1.6
387.16504	12.5
387.21097	0.9
388.16876	1.4
389.11786	2.5
389.62415	0.8
398.08749	0.5
429.17780	81.3
429.60098	2.5
430.09598	0.9
430.18112	8.4
430.23578	0.8
434.46188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
59.38179	0.6
61.84993	0.6
64.28412	0.6
79.68397	0.6
111.30894	0.6
114.91732	0.6
128.10783	2.0
130.08728	100.0
131.09047	3.3
152.34109	0.6
153.66530	0.6
166.73883	0.7
169.04453	0.7
240.17509	0.7
253.21748	1.8
254.21947	3.9
288.03278	0.6
330.01678	0.6
348.32709	1.4
392.31674	78.4
393.32059	8.9
428.31107	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	429.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	89.7
61.98799	1.2
64.89839	0.9
69.03434	1.7
70.03863	3.9
71.01379	17.3
72.99278	1.0
73.02943	13.3
73.04025	0.9
79.95732	6.6
80.96506	2.6
83.01376	4.3
85.02936	8.5
87.00848	1.6
89.02439	7.9
95.01357	1.9
95.50768	0.8
95.95233	2.0
96.96004	89.5
99.00873	0.9
100.50823	0.9
101.02438	11.8
111.00900	1.5
113.02441	10.6
114.52032	0.8
119.03489	1.2
122.97561	1.2
127.05130	1.3
128.03484	2.2
130.08662	1.0
138.97052	3.5
145.06233	0.9
150.97041	2.2
161.02475	1.0
163.11272	15.8
164.11606	0.8
165.05478	0.9
180.98114	1.2
207.10225	9.9
238.98656	1.3
241.00259	7.4
256.99649	3.8
267.07153	3.1
308.09329	1.4
369.15457	13.5
387.16553	12.6
388.16586	1.3
389.11923	5.1
389.62164	2.3
411.22369	2.1
417.39902	0.9
429.13351	100.0
429.18295	28.7
429.59869	4.2
430.08887	1.7
430.14499	8.1
430.18674	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88573	0.4
55.01868	0.5
57.03467	0.7
58.00585	0.9
59.01374	45.3
60.01698	0.5
61.98816	1.3
71.01378	13.5
71.63237	0.4
71.63571	0.5
72.99304	1.4
73.02938	2.0
79.95724	10.6
80.91684	0.5
80.96515	1.3
83.01358	0.9
85.02952	3.7
86.86533	0.4
87.00873	1.4
88.10701	0.4
89.02433	15.0
95.01412	0.8
95.94654	0.8
95.95225	10.1
96.96001	91.3
97.02958	0.4
98.95576	0.8
99.00866	0.5
99.04479	0.8
101.02435	9.0
113.02433	5.6
118.66323	0.4
119.03488	5.6
121.06554	0.5
122.97578	1.0
126.58019	0.4
131.03462	1.2
138.97055	2.5
141.01598	0.4
141.95792	0.5
143.03453	1.1
149.04550	0.6
150.97032	1.9
152.98547	0.7
161.04483	1.3
161.13313	3.2
164.98555	0.7
179.05600	2.2
180.98059	1.4
182.99576	0.5
187.13373	0.5
205.12315	7.0
206.12578	0.8
225.00734	4.4
241.00188	8.8
249.08664	0.5
249.11275	9.0
250.11597	0.5
285.02811	1.0
349.18518	1.4
429.14233	100.0
429.20541	4.5
430.14523	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	429.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32181	0.5
55.89116	0.4
57.03445	0.5
58.00595	0.9
59.01374	57.6
60.01709	0.7
61.98822	3.4
69.48425	4.0
71.01377	17.2
72.99305	1.8
73.02937	1.3
79.95730	9.7
80.96516	1.5
81.10127	0.5
83.01394	1.1
85.02951	4.6
86.93736	0.5
87.00879	1.5
89.02437	19.0
90.13970	0.4
95.01374	1.2
95.95222	11.2
96.96001	87.3
98.20583	0.9
98.95580	0.9
99.00845	0.6
99.04491	0.8
101.02434	8.8
104.22872	0.5
111.04473	0.5
113.02462	7.3
119.03483	8.3
121.02728	0.4
122.97540	1.2
131.03436	0.7
137.02412	0.7
137.09705	0.6
138.97052	2.5
140.78987	0.5
143.03502	1.4
149.04529	1.0
150.97037	2.1
152.98669	1.1
161.04546	1.7
161.13368	2.3
164.98566	0.8
179.05577	2.9
180.98076	2.1
187.13300	0.5
197.00926	0.5
198.99126	0.5
205.12292	3.8
206.12619	0.6
225.00758	4.8
232.28136	0.5
241.00197	8.4
249.11281	14.0
250.11610	0.9
281.70169	0.5
285.02698	1.2
297.13477	0.6
349.18851	0.7
429.14236	100.0
430.14514	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	429.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88573	0.4
55.01868	0.5
57.03467	0.7
58.00585	0.9
59.01374	45.3
60.01698	0.5
61.98816	1.3
71.01378	13.5
71.63237	0.4
71.63571	0.5
72.99304	1.4
73.02938	2.0
79.95724	10.6
80.91684	0.5
80.96515	1.3
83.01358	0.9
85.02952	3.7
86.86533	0.4
87.00873	1.4
88.10701	0.4
89.02433	15.0
95.01412	0.8
95.94654	0.8
95.95225	10.1
96.96001	91.3
97.02958	0.4
98.95576	0.8
99.00866	0.5
99.04479	0.8
101.02435	9.0
113.02433	5.6
118.66323	0.4
119.03488	5.6
121.06554	0.5
122.97578	1.0
126.58019	0.4
131.03462	1.2
138.97055	2.5
141.01598	0.4
141.95792	0.5
143.03453	1.1
149.04550	0.6
150.97032	1.9
152.98547	0.7
161.04483	1.3
161.13313	3.2
164.98555	0.7
179.05600	2.2
180.98059	1.4
182.99576	0.5
187.13373	0.5
205.12315	7.0
206.12578	0.8
225.00734	4.4
241.00188	8.8
249.08664	0.5
249.11275	9.0
250.11597	0.5
285.02811	1.0
349.18518	1.4
429.14233	100.0
429.20541	4.5
430.14523	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	427.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
59.01377	23.2
61.02724	0.5
61.98819	1.9
69.27803	4.1
71.01385	11.1
72.99307	1.2
73.02957	1.4
79.95732	4.8
80.96524	2.4
83.01344	0.6
85.02953	3.8
87.00875	1.1
89.02440	13.1
95.01378	1.7
95.95231	1.9
96.96006	68.1
97.02925	0.9
98.95608	0.7
99.04480	2.8
101.02440	9.8
113.02451	5.4
119.03500	6.2
122.97565	1.0
131.59407	0.5
134.03683	0.7
135.04491	1.2
138.97035	2.1
146.71692	0.5
149.25522	0.5
158.06464	1.4
159.11768	2.4
161.02409	1.0
165.09196	1.1
167.10780	6.4
179.03526	0.6
179.05615	1.2
185.11806	3.9
203.10751	4.1
223.13400	2.0
241.00204	8.6
247.09746	3.6
253.65567	0.6
261.08688	0.7
323.11182	0.6
341.08752	0.6
346.67599	0.6
347.17102	20.8
348.17593	1.4
383.10303	0.8
386.25131	0.6
402.11115	0.6
415.02887	0.6
427.12717	100.0
428.13019	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	427.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66268	0.5
57.03448	5.5
58.00599	0.8
59.01376	100.0
60.01713	1.3
69.03461	1.8
71.01379	16.4
71.39170	1.1
71.52108	0.5
72.99306	0.8
73.02945	11.8
79.95737	1.2
82.21404	0.5
83.01386	3.5
85.02953	4.7
86.00081	0.7
87.00885	1.5
87.04508	25.8
89.02438	3.3
95.01421	1.1
96.19656	0.5
96.96004	11.5
96.96586	1.0
97.02940	1.4
98.95596	1.3
99.00895	1.3
101.02441	10.4
107.05105	0.8
111.08215	0.5
113.02433	5.3
119.03491	1.0
123.08191	0.6
125.02483	0.9
125.09740	1.8
129.58028	0.5
130.19391	0.5
131.03526	0.7
135.08250	0.9
138.97107	0.8
143.03534	0.9
153.09290	1.3
161.04536	1.1
161.09683	0.9
163.11278	9.4
165.09207	3.4
171.08104	0.7
179.10754	0.9
181.12334	21.3
181.13904	1.1
182.12729	0.7
187.11389	2.3
189.12869	3.7
190.10014	4.6
205.12318	10.8
206.12703	1.0
223.13362	6.5
231.13976	0.8
241.00316	1.1
247.13467	1.3
341.09259	1.0
367.17642	1.3
374.68805	0.6
383.10400	0.8
412.57010	0.5
416.89618	0.5
427.16357	10.3
428.16476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84654	0.5
59.01376	8.4
60.04462	0.5
61.82028	0.4
75.00865	1.2
78.95898	13.3
79.95737	3.4
85.02958	0.6
88.61165	0.5
91.86261	0.5
96.96006	100.0
96.96932	25.9
109.58442	0.6
110.00105	0.5
119.09264	0.5
165.99094	0.7
178.10266	0.5
329.23318	0.9
330.07306	0.7
345.09787	1.3
347.10416	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98076	0.7
59.01375	100.0
60.01727	1.3
61.98825	1.3
63.39477	0.6
84.96345	0.6
96.96018	1.3
293.21207	4.2
427.28448	1.6
428.28156	2.4
444.29651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53855	0.7
57.06221	0.8
59.01374	100.0
61.98827	2.7
68.40739	0.6
71.31606	0.8
71.31942	0.6
77.55126	0.6
92.92781	1.0
95.59106	0.7
119.73553	0.9
171.10262	2.7
193.33298	0.7
246.15762	0.7
257.19046	0.9
275.20108	5.6
293.21274	2.2
311.22281	1.7
427.28729	1.4
452.81073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01697	0.9
69.66411	3.5
71.35548	0.6
88.98850	0.7
94.92529	1.0
96.95940	0.6
99.92610	1.1
102.79714	0.6
111.92972	0.7
158.79999	0.7
178.65915	0.7
200.08940	0.7
209.37846	0.7
293.21249	2.7
330.05618	3.9
344.94690	1.0
367.13443	4.1
427.28091	1.0
428.10513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61647	10.2
58.49232	10.3
58.49582	11.2
59.01373	89.2
61.64316	9.9
61.98824	19.2
71.01357	13.1
78.43585	11.5
79.95732	82.3
80.96514	95.9
96.91011	11.7
96.96002	47.8
123.98273	13.1
137.97572	12.9
154.07959	11.5
180.58839	10.8
192.27380	11.7
360.88950	11.6
389.03412	11.5
406.96265	31.1
426.96756	100.0
427.27689	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38166	1.0
55.34288	1.0
59.01373	4.8
60.97511	1.2
61.98820	6.1
63.96230	3.4
65.81010	1.3
68.78004	1.1
70.03069	4.4
71.01346	1.2
72.00904	8.7
74.02461	3.9
74.99085	1.2
76.97014	3.3
77.00674	2.4
79.95731	3.7
86.00697	7.4
92.46398	1.0
95.92423	1.1
100.04041	2.9
112.37228	1.0
114.98596	1.4
164.03880	14.8
212.12970	1.8
263.23743	1.9
265.56967	1.2
279.23190	1.4
280.23541	3.7
280.26443	2.1
281.24490	1.1
306.28049	6.0
308.25858	2.0
320.29550	34.5
321.29953	3.0
331.20819	1.1
350.25174	2.7
364.28543	4.6
413.26166	3.3
421.39780	1.3
428.28329	100.0
429.28659	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	427.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66285	0.4
56.07912	0.4
59.01376	10.8
69.03481	0.4
71.01380	4.9
72.99307	0.6
73.02942	1.8
78.51301	0.4
79.95734	14.8
79.96177	1.0
80.96519	4.5
82.38104	0.4
83.01391	0.5
84.10650	0.5
85.02946	1.7
87.00865	1.2
89.02454	0.6
93.03452	15.3
94.03801	0.5
95.95232	1.3
96.96001	100.0
97.02945	0.5
97.94872	0.4
98.20636	0.9
98.95591	1.0
99.00854	0.5
101.02432	3.0
104.83900	0.4
113.02438	2.1
115.95866	0.5
122.97617	0.4
137.02432	31.8
137.96249	1.6
138.02754	1.3
138.97044	4.2
140.01129	1.0
149.02405	0.4
150.96976	1.5
155.03456	0.8
208.03720	2.0
221.04811	1.2
222.99191	1.0
223.06055	1.4
223.13295	0.8
235.31232	0.4
241.00235	4.5
242.29362	0.4
259.95370	0.6
261.08795	0.6
283.01276	4.5
323.07773	1.7
341.09061	14.7
342.09293	1.1
347.07913	0.5
383.10135	63.7
384.10477	5.1
427.08484	14.3
427.13498	2.7
428.08786	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70971	0.3
53.13915	0.3
57.03445	0.6
59.01378	13.5
61.98818	0.6
71.01376	8.7
71.63216	0.4
72.99303	1.1
73.02945	1.1
74.84446	0.3
79.95735	10.0
80.96508	5.0
83.01389	1.1
83.04993	0.5
85.02933	2.4
87.00869	2.1
89.02437	7.1
90.72205	0.4
93.03458	4.6
94.21189	0.3
95.01369	0.8
95.95262	0.8
96.96004	75.7
97.02964	0.4
98.95579	1.2
99.00856	0.7
101.02437	9.2
102.02764	0.4
107.56738	0.3
111.00877	0.3
113.02444	4.1
119.03502	3.3
122.97583	0.6
137.02435	10.4
137.96294	0.8
138.02783	0.4
138.97078	3.6
144.98944	0.3
150.97061	1.2
162.02290	1.0
166.96518	0.6
167.10762	5.1
185.11798	2.8
203.10825	0.3
208.03714	2.1
223.06041	2.0
230.74847	0.3
241.00217	10.3
341.09109	1.3
347.17087	13.4
347.21390	0.7
348.17429	1.4
367.10367	0.5
383.10287	1.8
391.19839	0.6
427.12698	100.0
428.12961	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	425.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65239	0.3
59.01396	0.4
67.05533	1.8
69.50937	1.8
71.05017	10.5
80.05047	1.0
99.04494	0.5
114.09237	1.5
116.07188	0.4
130.08730	15.0
140.07147	0.6
150.12978	0.3
152.99612	0.6
168.13922	0.4
184.13326	0.4
186.14969	7.6
186.20634	0.3
194.11839	1.2
212.12950	0.8
230.13943	100.0
231.14261	5.6
278.33527	0.4
342.40897	0.4
401.03250	0.3
425.33441	0.4
438.58969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52917	83.8
69.53329	46.2
78.94925	15.8
96.96010	100.0
112.08922	16.9
117.42691	16.1
123.04498	49.6
132.48759	16.2
301.20349	18.8
344.31458	17.7
368.23547	45.3
381.33780	25.3
389.30594	44.0
425.25589	95.2
425.32361	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96435	0.2
59.01384	1.0
61.98828	3.8
69.67357	1.5
71.01385	0.9
73.02940	0.4
85.02926	0.4
88.98863	0.2
89.02433	0.4
91.40884	0.2
96.95999	1.6
99.00916	0.3
100.12975	0.2
101.02444	1.0
102.05634	1.0
111.61209	0.3
113.02428	0.5
126.99059	0.3
128.03543	1.0
133.02988	0.5
134.03743	1.0
135.04518	100.0
136.04863	3.7
146.28142	0.2
148.05318	0.7
149.06061	0.2
154.44661	0.2
161.02457	3.1
161.04550	0.2
162.02376	0.3
165.34851	0.2
196.74762	0.2
203.06927	0.2
235.11794	0.9
246.07681	0.8
248.09288	1.2
249.10016	0.8
264.08752	36.5
264.12115	2.1
265.09125	2.3
297.09729	0.8
306.09760	0.6
367.16025	2.2
426.13974	9.7
427.13086	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	426.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47036	0.2
51.23007	0.2
53.18356	0.2
55.78640	0.2
61.98824	0.3
70.76028	0.5
80.77899	0.2
88.82458	0.2
102.05622	0.9
107.05021	0.3
115.08496	0.2
117.03384	0.3
128.03568	1.1
133.02966	0.6
134.03751	1.1
135.04518	100.0
136.04855	3.8
146.41039	0.2
157.72191	0.3
161.02461	2.5
165.84711	0.3
178.01527	0.3
232.47720	0.2
240.69203	0.2
246.07680	0.8
264.08746	44.3
265.09082	2.7
272.11380	0.2
306.09821	0.6
405.01712	0.2
426.14017	7.1
427.13879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
57.29159	0.3
59.01379	4.9
61.98822	0.6
69.03456	0.3
70.11639	0.4
70.12038	0.8
71.01379	3.1
72.99300	0.4
73.02947	0.7
75.00866	0.5
79.95734	1.4
80.96522	0.3
83.01398	0.5
85.02933	1.8
87.00866	0.5
87.23332	0.3
89.02441	1.2
93.03441	0.6
95.01414	0.4
95.05039	0.4
96.36961	0.3
96.95997	5.8
99.00883	1.2
101.02420	1.1
105.03450	1.2
111.00857	0.6
113.02442	1.6
133.02950	5.9
134.03728	87.3
135.04558	4.4
137.02403	0.7
139.03993	0.4
148.05202	0.4
149.06065	100.0
150.06400	4.8
150.19017	0.3
161.02507	0.5
161.04601	0.5
161.06059	0.9
162.03331	0.4
176.03485	0.6
177.01894	1.5
190.05034	0.6
193.05017	0.5
204.06549	1.5
215.93100	0.4
230.08133	0.4
232.09743	1.1
241.00224	1.4
248.09247	1.1
249.06087	2.5
249.10011	0.6
250.10753	2.2
251.05487	0.7
264.12335	0.6
271.96591	0.4
276.10779	0.4
278.10306	1.4
291.07303	2.0
312.80655	0.3
360.32489	0.3
365.08817	0.6
389.18155	1.8
390.18301	2.5
408.11725	0.6
410.14493	0.8
426.11850	1.0
426.17654	20.5
427.08371	1.3
427.12708	4.7
427.18063	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	426.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31752	0.8
59.01367	1.9
60.57862	0.9
60.97532	2.3
61.98835	1.8
63.96226	3.7
69.81808	2.1
69.82225	3.0
72.00902	8.5
74.02460	6.0
74.14647	0.9
74.99097	1.0
76.97016	3.0
77.00661	3.0
79.95733	5.1
86.00704	9.2
98.06100	1.7
100.04032	2.8
164.03864	18.6
261.22046	2.7
273.74121	0.9
278.22012	1.9
304.26385	5.9
306.24359	1.9
318.27969	28.0
319.28271	3.1
332.26010	1.1
335.24686	1.3
348.23502	1.9
362.26898	6.1
382.27606	1.9
411.24274	4.4
426.26788	100.0
427.27148	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	426.3012
Annotation	11-Deoxo-6-oxo-5alpha,6-dihydrojervine
Peak:m/z	Relative Intensity
50.96040	0.7
54.99141	0.8
58.02962	3.1
59.01369	1.8
61.98815	1.9
69.64307	1.8
69.64718	3.7
72.00903	6.9
91.05526	2.8
95.96152	0.7
98.20598	1.4
125.48965	0.9
147.04515	33.6
148.04810	1.3
164.07152	70.4
165.07454	1.9
278.24860	1.5
290.24872	1.7
382.30765	1.0
426.30099	100.0
427.30304	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	425.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	68.5
59.57912	5.7
61.98819	20.3
71.01382	23.7
71.62952	4.9
71.63356	8.1
73.02910	9.0
75.00878	6.6
79.95726	15.0
85.02920	7.4
87.00863	14.5
89.02441	23.2
96.95995	100.0
98.95583	9.9
99.00900	5.5
101.02438	17.7
101.45174	5.9
101.69949	4.7
113.02409	13.7
114.05619	4.8
119.03503	6.9
120.99643	46.4
133.06937	30.5
135.04521	6.3
150.03183	6.1
156.04280	4.8
158.79924	6.3
161.02425	10.0
165.00133	28.4
186.05904	8.9
230.08055	9.0
231.08479	20.5
241.00212	17.9
262.10803	15.7
263.11200	38.3
291.06830	5.7
296.09491	14.9
296.12756	5.6
337.11658	10.5
347.19696	6.0
379.15536	5.2
387.16513	19.9
389.18192	11.0
425.10419	56.7
425.19724	40.6
426.11508	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	425.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23793	0.4
59.01375	5.9
61.98820	2.1
71.01381	2.7
71.13815	0.3
71.62789	0.5
73.02955	0.8
75.00863	0.3
79.95734	4.9
80.96496	0.4
84.97618	0.4
85.02945	1.1
87.00890	0.6
89.02431	2.5
92.61850	0.4
95.95239	1.3
96.96004	85.1
98.95588	0.5
99.00872	0.5
100.00396	0.7
101.02439	1.9
102.64180	0.3
113.02440	1.1
119.03446	0.7
120.99639	3.8
130.27545	0.4
133.02901	0.4
135.04514	10.5
138.97052	0.6
144.03008	0.6
147.03059	0.5
149.06053	0.5
155.26015	0.4
161.02376	0.4
161.04549	0.7
163.11275	1.1
207.06508	0.4
225.00667	1.5
229.59981	0.4
241.00192	3.2
259.01276	0.4
264.08734	3.6
315.82764	0.4
355.26526	0.5
387.16629	2.1
425.11169	100.0
426.11380	9.0
447.11911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05941	0.4
59.01397	1.9
61.98824	0.7
71.01377	1.6
72.99316	0.5
73.55268	0.4
79.95728	4.6
80.96508	1.3
83.01366	0.4
84.87129	0.4
85.02946	0.9
87.00865	0.4
89.02437	0.5
95.95219	4.1
96.96003	67.5
97.02931	0.5
101.02432	0.8
113.02455	0.9
122.97593	1.1
129.47960	0.4
138.97034	1.1
140.91742	0.3
145.83479	0.4
150.97076	2.1
164.98608	0.7
165.12831	0.5
166.06482	0.4
177.04034	1.0
180.98039	0.9
222.99062	0.4
225.00711	1.2
236.62122	0.4
241.00240	4.4
256.99661	0.9
425.14819	100.0
426.09677	0.6
426.15201	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	425.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
59.01380	2.8
61.98839	1.6
69.69999	0.3
69.70316	2.0
71.01377	1.9
72.99307	2.5
73.02925	0.8
73.43703	0.3
75.00871	3.1
77.51894	0.3
79.95731	12.7
80.07471	0.3
80.96513	2.1
83.01412	0.5
85.02943	2.1
87.00864	0.6
89.02422	0.3
95.95226	17.1
96.96005	83.5
97.02920	0.6
99.00848	0.4
101.02448	1.1
106.65704	0.3
111.00843	0.3
113.02438	1.2
119.03534	0.3
122.97600	1.0
129.01921	1.3
138.97093	1.7
141.02077	0.3
141.95763	1.0
150.97052	1.6
151.97897	0.3
152.98615	1.0
159.58598	0.3
164.98576	0.5
174.10501	0.4
177.04024	2.5
180.98137	1.4
182.99652	0.9
189.12819	1.5
191.05676	0.7
197.01263	0.5
213.00674	0.5
225.00700	3.9
226.01065	0.4
233.11786	1.7
241.00227	5.8
256.99716	6.5
330.03839	1.0
339.07526	3.8
345.06042	1.6
345.17935	0.6
345.66415	0.5
346.17044	0.6
403.18039	0.7
425.14807	100.0
426.15128	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	425.1832
Annotation	FR901483
Peak:m/z	Relative Intensity
53.35735	1.0
54.39988	0.8
59.01371	1.9
72.99295	3.3
75.00871	7.0
78.95901	23.4
79.95720	3.8
85.02934	1.6
95.07552	0.8
96.96002	100.0
96.96952	52.2
97.93141	1.1
98.58325	0.8
100.65995	0.9
113.92613	1.3
114.93418	1.4
150.15302	1.0
150.41995	0.8
171.93527	0.8
211.13326	1.0
240.34999	0.9
265.07510	2.5
267.09058	3.0
285.03995	1.4
295.08539	2.2
309.10205	2.2
313.03427	1.3
327.21857	4.6
328.05966	6.8
330.06439	2.5
343.08173	8.5
344.08319	0.9
345.08701	3.8
345.18024	2.8
389.98975	0.9
425.03601	1.2
425.18466	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	425.0183
Annotation	Axillarin 7-sulfate
Peak:m/z	Relative Intensity
58.69400	0.3
59.01388	2.0
61.98794	1.2
65.00298	1.0
71.01362	1.7
71.63509	0.5
72.99274	0.6
75.00848	0.8
78.95869	0.8
79.95270	0.4
79.95729	7.3
80.96484	1.5
83.01373	0.3
85.02917	1.0
87.00848	1.0
89.02446	0.4
95.01324	0.4
95.95240	1.7
96.96007	17.8
96.99281	0.5
98.95579	0.5
99.00870	0.4
101.02401	0.8
110.00082	1.8
111.00883	1.9
111.08119	0.5
113.02400	1.5
123.00872	0.7
124.01620	0.5
129.01889	0.7
134.03723	0.4
135.04529	0.3
136.98830	2.2
138.97061	0.7
139.00349	1.6
149.02437	1.7
149.06104	0.4
151.00345	0.3
152.01099	0.6
153.01903	1.4
160.01649	0.5
164.98247	1.8
165.99097	2.7
173.08122	0.5
175.03920	1.1
176.01071	0.5
177.01866	1.2
178.99855	0.4
187.03951	0.9
193.05112	0.5
199.03992	1.1
201.01894	0.8
203.03453	1.5
215.03470	5.9
216.03891	0.4
219.03008	0.8
227.03499	0.8
227.63652	0.3
229.01334	1.3
231.02957	0.8
238.98595	1.4
241.00038	2.3
243.02972	7.3
244.03291	0.3
246.05215	0.3
247.02446	0.9
256.99686	3.6
258.05316	1.2
259.02548	2.1
269.00797	2.2
271.02570	1.6
286.04584	0.6
287.01923	10.5
288.02350	1.0
297.00446	3.0
298.00790	0.5
302.04257	0.6
312.02704	0.5
315.01437	21.2
316.01785	1.4
329.03055	0.5
330.03769	50.4
330.86047	0.4
331.04135	4.7
336.60703	0.7
345.06119	100.0
346.06473	10.2
391.12830	0.4
424.63239	0.4
425.01993	3.3
425.14835	21.1
426.11740	1.4
426.16122	0.7
429.87277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78648	0.8
57.91736	0.8
61.98826	100.0
71.63461	0.9
78.95924	2.2
88.64118	0.8
91.19373	0.9
123.91786	0.9
134.39522	0.9
152.99547	1.5
156.68022	0.8
183.01198	1.7
241.96429	0.8
255.23238	2.9
256.23621	9.8
339.19882	4.0
340.20007	0.8
344.09561	0.8
354.46951	0.8
381.33456	1.4
424.25479	3.2
425.25586	1.0
425.32693	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	424.285
Annotation	Veralodine
Peak:m/z	Relative Intensity
51.13288	0.8
58.02974	4.3
59.01377	1.0
61.98825	0.9
70.45513	0.7
71.01388	1.9
71.63141	1.2
72.00904	6.0
78.95905	3.1
91.05515	3.7
107.33937	0.8
110.98567	2.8
113.92612	1.7
147.03044	4.8
147.04514	35.4
148.04854	1.3
154.14697	0.8
158.81444	0.8
164.07150	72.0
165.07538	2.4
185.02266	2.1
206.14590	0.9
255.23297	17.7
256.23602	61.7
257.23965	2.7
277.21649	7.2
280.23740	1.6
288.23367	1.0
312.46399	0.8
380.29413	1.5
424.28665	100.0
425.28906	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	423.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
72.86132	0.3
74.46835	0.3
78.95894	3.3
98.20613	1.1
110.98521	2.8
152.99492	0.6
167.01140	1.3
180.06438	0.3
185.02174	2.7
197.19026	0.3
229.44731	0.4
255.23262	100.0
256.23599	7.4
423.25073	8.2
424.25467	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82675	0.2
57.03441	0.2
59.01374	1.5
61.98808	0.7
71.01376	1.1
71.62503	0.3
73.02926	0.7
79.95730	0.9
85.02944	0.2
89.02450	0.4
95.95213	0.9
96.96004	6.3
101.02437	0.9
109.02924	0.4
111.00861	0.3
117.03414	0.2
118.75951	0.2
119.03478	0.2
121.02930	0.4
133.02953	0.8
134.03723	1.2
135.04506	0.7
137.02420	0.8
138.01952	0.6
138.97003	0.4
145.02919	0.4
147.04510	0.3
159.04485	0.3
160.04053	0.4
161.02422	6.7
162.03156	1.6
163.03996	0.4
165.00180	1.2
174.05582	0.3
184.03993	0.4
187.07661	0.3
188.07132	4.0
194.02203	0.6
202.05090	4.4
202.08687	2.2
212.07259	0.4
229.07433	0.4
230.08183	59.7
231.08531	3.8
240.03815	0.4
241.00168	1.9
249.42079	0.2
252.59567	0.2
256.99731	0.4
261.10010	0.6
262.10806	100.0
263.11148	6.8
296.09518	0.3
299.10260	0.6
300.10638	1.6
322.43433	0.2
424.16055	12.6
425.10840	5.7
425.15866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24232	0.7
53.03556	0.9
58.99599	1.3
59.01374	1.9
60.97522	2.4
61.98822	3.0
63.96236	3.5
69.27632	0.9
70.99612	0.8
71.62206	0.9
71.62634	1.2
72.00904	10.3
74.02470	6.4
74.81612	0.9
76.96999	1.8
77.00664	3.1
79.95739	2.3
83.61180	0.9
83.99065	0.9
86.00693	8.7
98.06107	2.4
100.00410	1.1
100.04026	4.1
105.56631	1.1
114.98550	1.6
152.99525	1.5
164.03853	22.2
230.67511	0.9
259.20621	2.6
277.21655	1.0
302.24857	4.6
304.19373	0.9
316.26389	22.5
317.26776	2.1
333.23022	1.9
360.25439	7.3
365.11951	2.0
408.26657	0.9
409.23001	4.5
410.23288	1.3
424.25220	100.0
425.25485	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	423.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04459	1.9
54.50898	1.9
57.03425	2.2
59.01093	3.9
59.01379	62.7
69.51328	13.5
71.01377	20.6
72.99304	4.6
73.02969	2.7
75.00879	5.8
79.95739	3.2
83.01396	1.8
83.05043	4.7
85.02945	8.5
87.00862	2.4
89.02449	15.1
95.01409	2.5
96.96008	26.7
98.19853	2.3
99.00846	4.6
101.02414	10.3
111.08151	31.4
112.61974	1.9
113.02411	10.3
119.03500	4.5
150.03242	2.7
163.11279	4.7
165.05574	3.7
173.08173	21.9
186.64851	1.9
207.10141	10.6
225.00716	11.0
241.00061	2.6
247.11739	2.8
249.06128	3.1
387.16559	100.0
388.16907	10.9
423.14960	47.6
424.15408	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01378	26.7
61.98828	49.8
69.65861	17.3
71.01366	12.4
73.02947	5.2
79.95732	5.0
85.02947	3.5
85.89236	2.8
87.00894	3.2
89.02432	6.5
91.72179	2.9
96.95431	3.8
96.96004	43.5
98.07903	2.6
100.18530	3.6
101.02427	5.0
108.02179	2.8
109.02921	4.7
113.02425	6.5
119.03498	3.4
123.04491	3.0
125.02423	3.4
125.09701	4.0
137.02429	4.8
138.01901	3.0
145.07697	4.5
151.03964	4.0
164.07214	2.9
165.00047	4.1
165.05530	4.3
179.05557	2.9
181.04915	3.2
195.06473	4.6
227.02249	3.6
236.36368	2.6
239.03413	10.6
240.04248	10.0
241.00174	9.0
243.06630	3.3
243.12318	3.8
271.10724	7.5
273.02832	4.0
294.07870	6.3
298.09552	7.4
299.10339	81.5
300.10596	8.7
407.12433	9.6
408.13211	7.9
412.96045	3.4
423.15500	100.0
424.15802	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	423.0388
Annotation	Mikanin 3-O-sulfate
Peak:m/z	Relative Intensity
59.01365	1.3
61.98807	0.5
65.00308	1.2
71.01369	0.5
75.00871	0.5
85.02950	0.6
96.96003	3.4
98.19719	0.8
113.02481	0.4
121.02925	0.7
136.07445	0.3
136.98755	2.6
142.11197	0.4
171.04544	0.4
182.03647	0.5
190.97369	0.3
197.06079	0.7
198.03181	1.7
199.03917	0.8
210.03223	0.5
213.05545	3.2
215.03474	0.5
215.07140	0.6
226.02699	6.0
227.03362	1.3
241.05026	2.4
242.02145	2.9
245.04448	0.4
246.08319	0.5
254.02174	0.7
257.04517	1.1
269.04385	1.7
270.01648	5.2
271.02045	0.3
274.01224	0.9
282.01657	1.7
285.04037	17.1
286.04343	1.3
295.02505	0.7
297.03952	1.2
298.01144	0.4
313.03494	12.1
314.03784	1.1
327.04977	0.7
328.05847	79.3
329.06174	8.1
343.08182	100.0
344.08551	9.0
357.96631	0.5
362.11215	0.6
423.03931	8.6
423.12988	1.1
424.04276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24550	5.6
57.03429	8.2
59.01376	87.5
61.98809	7.2
64.94171	5.3
65.05088	6.6
71.01368	34.8
71.62757	6.7
72.99299	20.1
73.02924	10.8
78.93050	5.2
79.95730	16.6
83.01367	8.0
85.02944	19.7
87.00874	7.1
89.02458	24.1
96.96012	100.0
99.92467	6.1
101.02437	29.5
111.02769	5.6
113.02426	21.5
119.03529	6.8
135.04527	22.9
137.02426	7.6
138.03169	9.6
144.40149	6.6
161.02417	12.0
161.04565	9.0
162.03217	10.0
163.04016	48.3
164.04787	34.5
165.05611	7.2
166.02747	11.1
179.07121	12.6
179.10660	5.5
181.05032	11.2
191.03525	8.2
191.07153	8.0
192.04256	25.1
193.04938	7.7
207.06593	81.8
219.06570	13.6
229.14417	7.8
241.00188	18.5
254.05779	8.6
269.07980	7.8
270.05185	8.9
294.05283	9.8
309.07642	22.5
310.04861	8.8
310.08310	7.2
313.07071	32.0
325.07187	45.9
326.07352	7.0
328.09460	28.0
340.09570	19.8
343.11877	52.0
344.12289	11.0
355.11914	69.1
356.11963	7.5
361.18649	12.8
373.12952	80.0
374.12881	7.0
377.17917	12.8
391.13950	25.9
403.14047	23.5
421.11563	73.9
421.16458	75.2
421.21436	52.1
422.16821	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	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88173	0.4
61.98822	0.7
69.53110	2.6
78.17463	0.4
78.95898	1.6
80.91676	1.3
110.98557	1.9
117.36877	0.4
147.08139	0.7
152.99530	0.6
163.11278	100.0
164.11612	5.1
167.01117	0.5
183.01231	0.4
185.02188	4.0
206.07353	0.4
230.33994	0.4
253.21671	1.4
254.35809	0.5
256.48969	0.4
319.22903	0.4
339.23270	73.5
340.23572	7.8
421.22784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.9603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.6
59.21632	0.4
61.98820	0.5
65.17105	0.6
66.64738	0.4
66.71528	0.4
67.84228	0.4
71.61093	0.6
72.99299	0.5
79.95791	0.5
85.02957	0.8
91.16113	0.4
96.96001	6.6
113.02443	1.0
113.64580	0.4
133.11324	0.4
134.96065	1.1
136.94009	12.7
136.95721	0.8
137.94092	2.5
138.93701	9.6
140.93355	0.4
153.92439	0.5
175.02507	0.7
178.95024	8.0
179.95137	1.3
180.94707	5.0
184.46109	0.5
192.96899	0.6
194.93050	0.5
194.94870	0.6
196.92804	1.2
205.59195	0.4
234.96161	1.2
235.96201	0.6
236.93874	3.0
236.96143	3.6
237.94167	1.7
238.93825	7.2
247.87111	0.9
248.37184	0.9
248.86983	2.3
249.36993	2.8
249.86909	6.2
250.36903	4.3
250.86850	1.8
278.86426	1.0
278.95145	10.5
279.36472	2.7
279.86359	1.9
279.95221	5.0
280.36307	2.6
280.86209	1.3
280.94919	23.2
281.95029	1.7
310.83560	0.6
311.33731	0.6
312.80783	0.5
316.86450	0.6
317.86090	0.5
318.86493	2.1
319.34189	1.1
319.84189	0.9
320.34225	1.1
320.37561	0.6
320.84085	1.0
320.87476	0.5
321.37552	2.3
321.87549	1.4
333.86804	1.0
334.87469	3.4
335.86646	2.4
336.87271	11.3
337.87158	1.3
349.81412	0.8
350.31577	5.2
350.81531	6.2
351.31561	9.1
351.81323	4.6
352.31207	1.7
354.48233	0.4
360.87357	1.4
361.84808	0.4
362.85245	0.8
378.81186	0.9
379.80984	2.2
380.80838	77.7
381.81238	15.8
382.81778	1.7
392.38248	1.3
393.37708	0.5
413.80679	1.3
422.31998	0.7
422.81915	100.0
423.81995	12.3
423.95999	0.5
440.83127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05171	0.4
59.01387	2.4
60.19006	0.4
61.98824	100.0
69.27885	0.8
69.28296	3.4
71.01387	0.8
78.23100	0.4
79.95737	1.9
80.96516	1.1
96.96001	16.6
101.02434	0.6
122.97576	0.6
138.97061	1.0
173.81160	0.5
174.76566	0.4
177.29770	0.5
198.99010	0.5
241.00346	1.0
324.92947	0.4
411.71585	0.4
420.63983	1.0
421.08728	0.9
421.14606	15.3
421.20483	0.8
421.64709	5.9
422.14709	1.3
424.30640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17920	0.6
59.01374	8.9
61.98826	100.0
69.01314	0.6
69.92220	2.2
71.01370	1.4
72.99302	0.8
73.02947	1.7
78.74455	0.5
79.95731	2.8
85.02943	1.1
85.03602	0.5
89.02459	1.2
95.95244	1.1
96.96000	7.8
98.82377	0.7
101.02464	1.3
114.49155	0.6
120.99665	0.7
130.08757	0.7
137.02393	0.7
148.13445	0.5
153.02051	0.7
164.07344	0.6
166.44449	0.6
229.14523	0.7
241.00253	1.0
349.11838	0.9
357.81512	0.5
377.11136	1.0
378.12363	1.2
381.41382	0.6
405.10742	5.2
406.11566	5.7
420.64206	1.0
421.14120	12.5
421.20905	6.4
421.26886	0.7
421.27835	0.6
422.14606	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
59.01381	14.9
61.88441	1.4
61.98803	1.5
62.00527	1.4
63.47612	1.2
68.87295	1.3
69.99022	3.9
69.99437	2.4
70.02974	9.5
71.01379	4.8
71.05010	8.2
73.04057	1.4
80.86228	1.3
87.05637	5.9
89.02421	2.0
96.96021	7.1
99.04511	4.8
101.02440	3.9
107.97579	1.5
114.47299	1.4
116.07165	2.4
130.03317	9.0
135.04587	2.0
146.08215	72.0
147.05963	4.0
147.08644	1.7
200.64873	1.3
213.80704	1.2
217.11919	14.6
219.05135	1.3
241.00200	1.9
242.40411	1.2
245.04193	1.3
265.80276	1.4
277.12244	100.0
278.12476	4.2
324.87070	1.6
377.18396	2.8
421.07861	2.6
421.15982	9.9
421.21210	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	420.2754
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
52.66360	0.6
57.03004	0.6
59.01360	1.0
61.98806	1.0
68.61694	0.7
69.28075	6.4
75.00865	0.6
93.03427	0.7
93.51490	0.6
96.95970	1.5
105.32621	0.6
106.55292	0.6
121.02948	100.0
122.03306	3.5
127.87056	1.5
159.85983	2.0
163.27538	0.7
173.51749	0.6
196.57410	0.8
220.14600	0.7
221.15643	0.8
420.27524	66.5
421.27863	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	421.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06976	0.9
58.03977	0.8
59.01374	9.8
61.98827	5.3
62.53004	0.9
71.01395	5.1
71.62405	1.7
72.99279	0.9
79.50774	1.0
79.95734	1.8
80.96552	0.9
82.95385	1.3
85.02947	2.7
87.00895	1.5
89.02431	3.1
93.03430	5.6
95.01369	2.2
96.95998	16.8
101.02406	1.6
108.02151	1.3
113.02451	0.9
115.04028	1.5
119.05029	1.1
121.02963	14.2
121.98659	0.8
122.03738	15.1
123.00883	12.0
123.04507	2.5
124.01690	1.0
125.01671	1.0
126.47708	1.0
128.03502	1.0
132.02156	1.5
133.02974	2.0
134.03732	1.2
135.04547	2.8
136.01649	2.5
137.02437	1.2
137.06110	1.2
138.03227	19.5
138.97090	0.9
139.03966	3.3
147.04543	1.6
148.01608	1.3
149.02438	88.1
150.03224	100.0
151.00375	2.4
151.03581	5.4
153.05568	36.2
154.05911	1.3
164.04782	22.3
165.05562	99.6
166.02724	4.2
166.05888	5.8
166.99838	4.0
177.05539	1.0
180.04308	7.3
181.05023	5.8
182.02164	6.6
194.05739	1.1
195.06621	49.8
196.06975	1.6
197.04556	12.9
209.08153	3.5
224.82260	0.9
225.04030	16.9
239.05592	1.6
241.00259	3.4
241.10658	0.9
257.07697	1.3
271.02405	1.6
286.08447	15.4
297.06192	2.6
300.02527	1.3
301.10779	50.8
302.11090	4.3
304.69937	1.0
318.06604	2.7
318.57004	1.1
323.07663	2.3
365.26590	0.9
421.11920	20.9
421.17139	2.6
422.11633	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	421.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.7
70.16727	0.9
71.01367	4.4
71.38591	2.2
73.02939	1.0
78.95895	1.2
85.02926	2.5
89.02448	1.8
92.61988	1.2
93.03450	2.7
95.01371	1.0
96.95992	7.6
101.02428	1.8
109.06499	0.9
113.02412	1.9
121.02956	10.0
122.03739	16.0
123.00865	10.0
123.04481	1.2
127.07629	2.3
134.03699	3.1
135.37456	1.0
136.01659	2.8
137.02415	2.0
138.03220	15.6
149.02428	26.3
149.04327	1.1
150.03212	98.0
151.00284	2.0
151.03691	4.3
153.05554	33.3
154.05812	1.2
159.93524	1.0
161.02478	1.3
162.03143	1.5
164.04756	4.3
165.05554	100.0
166.02730	7.8
166.05872	4.5
166.99805	1.5
169.90503	1.0
177.05490	1.6
180.04297	7.6
181.05031	8.6
182.02159	3.8
193.05034	2.7
195.06607	46.3
196.06967	3.1
197.04468	6.5
197.11725	1.0
225.04030	16.2
245.04216	1.8
272.08853	1.3
301.10651	2.6
306.07599	1.4
361.92017	1.0
377.18164	10.3
421.11752	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1168
Annotation	BIFENTHRIN
Peak:m/z	Relative Intensity
56.27983	0.7
59.01370	5.4
61.98836	4.2
69.46933	3.4
69.47343	1.6
71.01370	3.7
72.99290	1.0
79.95724	6.2
80.96516	3.4
83.01393	0.9
83.38144	0.6
85.02953	1.6
89.02450	1.5
93.48821	0.6
95.95223	3.2
96.96003	100.0
98.19865	1.2
101.02438	2.3
109.54617	0.6
111.72528	0.6
113.02452	1.0
122.97573	2.3
138.97043	3.2
143.08148	0.7
150.97069	1.8
177.04051	1.5
179.14444	0.7
180.98035	1.6
198.99068	0.8
241.00215	7.7
256.99719	1.3
259.01221	0.7
353.35812	0.7
409.39664	0.6
414.06271	0.7
421.11545	87.8
421.64557	2.9
422.11780	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	419.293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53538	27.3
70.28380	38.7
70.28774	57.8
74.54737	24.0
96.95981	40.1
98.19968	25.6
154.69083	23.4
281.24710	34.8
282.25125	90.5
283.25446	100.0
419.35104	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
57.03445	5.6
58.00589	3.8
59.01376	100.0
61.98826	16.4
68.99812	1.8
69.83466	4.8
71.01378	80.1
72.01694	2.3
72.99304	7.0
73.02942	15.2
79.95741	1.4
83.01387	8.6
85.02943	30.3
85.03442	2.0
87.00879	6.2
87.05683	1.1
88.98771	1.5
89.02442	55.9
95.01380	7.2
96.95994	14.4
97.02951	2.1
98.20571	1.3
99.00844	6.4
101.02438	59.9
102.98608	1.8
108.02180	1.5
110.02415	1.3
112.98745	1.7
113.02441	30.1
113.99580	2.0
115.00358	1.7
119.03493	26.1
122.03738	4.1
123.04491	1.8
125.02439	2.7
125.03444	1.1
128.03563	2.8
129.01967	2.4
131.03482	4.0
131.34698	1.2
135.04506	4.3
137.02408	1.7
137.27011	1.2
138.03194	1.8
143.03482	6.4
149.04555	1.8
151.04031	1.6
152.01151	3.6
153.05534	2.6
159.02986	3.9
161.02498	1.5
161.04550	17.9
162.04747	1.2
165.05569	1.5
167.03496	6.5
172.00111	1.5
174.92879	1.1
176.01152	1.5
176.04753	2.0
177.01962	2.8
177.09213	1.3
179.03372	1.2
179.05708	5.7
179.07045	2.0
180.29218	1.2
182.05789	7.3
191.03505	2.0
193.05090	1.4
194.05771	4.3
195.13853	1.6
197.08173	25.1
198.08533	1.6
209.08194	7.0
221.08173	2.6
238.04819	1.6
239.09242	2.5
239.12898	2.0
241.00233	1.9
257.10281	19.9
279.08701	1.8
323.07709	9.4
327.10812	3.6
359.13452	39.6
360.13736	3.4
375.08313	1.8
375.17139	1.9
383.09781	4.1
419.06516	5.1
419.15164	24.1
420.15848	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	419.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98648	4.9
55.01842	6.0
59.01380	92.1
61.98821	23.9
62.67670	4.9
64.07084	5.5
69.03440	7.6
70.30959	21.1
71.01379	99.6
72.26295	6.0
72.99312	14.2
73.02927	15.8
78.43797	5.4
78.95901	7.3
79.95733	6.0
83.01363	7.8
85.02934	18.2
87.00877	8.0
87.04513	9.5
87.34157	5.1
88.98800	13.2
89.02451	100.0
93.03445	8.1
96.96014	92.5
97.02912	13.7
98.20529	6.9
99.00868	10.0
101.02438	38.2
103.00404	7.3
113.02436	20.9
115.03987	6.4
119.03477	17.4
120.99641	84.8
123.04495	6.0
125.02443	35.5
131.03503	5.2
135.04469	10.6
137.02429	28.3
141.06683	5.7
143.03481	6.0
149.04555	7.3
161.04605	9.5
172.62691	5.4
179.05611	12.7
181.11388	5.1
186.87854	5.1
233.06628	20.2
234.22821	5.2
239.09285	6.2
249.06340	5.3
251.11440	10.9
257.10297	9.5
293.08704	23.5
337.11301	12.0
359.13580	6.8
383.09302	6.0
383.15417	39.7
416.38989	5.4
419.12677	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1555
Annotation	Lamioside
Peak:m/z	Relative Intensity
52.05684	0.5
55.01870	3.2
57.03441	2.5
58.00586	3.9
59.01373	100.0
60.01715	0.9
61.98828	4.7
70.05721	2.9
71.01376	74.2
72.01729	1.7
72.99304	5.6
73.02943	13.0
75.00879	0.9
81.03497	0.7
83.01374	8.1
85.02944	23.1
87.00861	4.6
89.02436	56.9
90.02773	1.2
95.01389	5.1
96.96020	2.5
97.02953	1.9
98.19939	0.6
99.00885	3.6
100.59615	0.6
101.02435	53.5
102.02776	1.0
112.98801	2.0
113.02442	29.8
119.02628	1.3
119.03487	27.2
125.02443	1.2
128.03502	0.8
131.03470	3.0
135.04492	0.9
138.03252	1.0
139.00446	0.7
143.03485	6.1
143.53757	0.5
145.20557	0.5
149.04553	1.6
152.01151	4.2
153.05580	2.0
159.02936	3.6
161.04529	17.5
167.03458	6.6
176.01126	2.0
179.03419	0.8
179.03941	0.7
179.05609	8.6
181.05035	2.2
183.06566	0.8
184.85284	0.6
190.90924	0.6
191.03493	2.6
194.05898	1.2
197.08203	1.2
209.08157	3.1
221.06473	1.2
221.08347	1.2
230.79840	0.6
238.04861	2.2
239.09299	1.4
241.00140	0.7
257.10284	19.9
258.10590	1.5
323.07761	3.5
383.09842	1.1
399.21310	0.6
406.71487	0.6
419.15491	27.4
420.15833	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	419.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60175	3.8
56.85609	3.5
59.01373	16.9
61.98824	10.5
63.68675	3.4
70.95368	9.2
71.01384	15.3
73.02952	10.0
75.00873	5.9
78.11371	3.5
78.95905	8.3
85.02953	10.9
89.02461	10.2
96.96006	48.0
96.96944	8.9
98.95595	11.5
99.00893	7.8
101.02444	13.5
113.02450	7.5
114.20054	3.7
116.03469	5.1
123.83559	3.8
125.02437	5.5
149.16718	3.7
151.03978	9.8
161.04536	7.8
166.02678	5.2
179.08231	4.3
181.05128	5.9
183.04857	4.0
189.71371	3.7
227.05589	8.8
251.11296	12.0
275.15982	5.1
381.14264	5.4
383.15518	89.7
384.15704	4.7
419.13568	100.0
420.13428	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	419.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44646	0.7
57.03428	4.0
59.01377	12.3
61.98829	16.3
67.01861	1.6
67.11550	0.8
68.99811	8.9
69.03465	1.9
69.29494	1.4
69.29897	6.4
71.01380	7.0
72.96948	0.8
72.99313	2.9
73.02950	3.7
73.14301	0.7
79.95752	1.0
81.03482	1.0
83.01398	1.5
83.05028	1.8
85.02948	8.2
87.00877	2.6
89.02436	2.9
94.70116	0.8
95.01385	2.5
95.05034	1.0
96.96015	5.4
97.02932	3.8
99.00869	1.8
101.02445	3.6
108.02161	17.6
109.02969	5.1
109.51348	0.8
111.00869	2.1
111.04499	1.5
113.02456	1.2
114.51143	0.9
115.00333	1.0
115.03999	1.4
121.02928	4.3
122.02482	1.9
122.03777	1.7
122.99966	1.6
123.00874	32.8
123.04519	18.0
124.01179	1.1
129.01924	4.7
132.02161	3.4
133.02968	1.5
134.03728	1.3
135.04538	3.2
135.08130	1.4
136.99016	0.8
137.02452	4.3
138.03215	77.2
139.03610	2.0
141.01981	1.1
147.04518	2.5
147.08119	1.0
148.01535	0.9
150.03221	10.7
151.00340	6.5
152.01093	1.1
153.01996	6.8
153.05562	100.0
154.05890	4.7
155.03452	0.9
160.79951	0.8
161.02425	6.4
161.04489	1.0
162.03220	20.2
163.03966	5.9
164.01218	0.9
165.05556	3.0
165.09241	1.5
165.39166	0.9
166.02705	7.6
166.99806	2.7
177.05556	26.5
178.02695	18.7
178.05899	2.0
179.03491	6.9
181.05023	3.3
182.02214	6.6
183.10286	4.8
191.05589	3.6
193.05026	34.0
194.05571	2.7
195.06509	2.3
197.04529	13.6
197.11786	2.3
199.56448	1.0
209.06625	3.9
221.04558	1.1
224.03244	1.5
225.04018	58.5
226.04424	3.4
227.09242	2.9
227.12807	7.5
239.05537	5.7
239.12926	1.3
271.06189	1.3
286.08551	1.3
301.10892	1.4
317.10239	6.2
345.09543	1.1
347.11365	10.5
359.16577	1.1
401.14136	0.8
419.09818	8.4
419.15149	10.4
419.19165	14.6
420.19833	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	54.5
61.98824	40.8
63.16165	21.4
71.32453	21.9
71.32793	35.8
79.00246	19.8
86.91927	19.5
107.09437	19.8
263.43738	21.8
280.89572	21.4
281.24799	100.0
289.05396	37.5
299.98105	23.9
417.21036	69.3
417.33701	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.3
64.03073	1.0
66.98910	1.2
68.85514	1.1
71.01382	22.4
71.46802	1.9
72.99303	2.1
73.02953	2.8
75.00863	3.4
76.87264	1.3
78.95896	5.8
85.02953	5.7
89.02435	5.7
95.01353	1.4
96.96001	1.4
101.02433	6.6
104.75650	1.1
110.98534	4.6
113.02430	10.8
119.03483	1.9
119.30887	1.2
156.72870	1.1
239.23793	2.2
251.23856	1.5
255.23267	100.0
256.23550	8.0
265.25269	2.1
267.23233	3.8
269.24829	67.2
270.25125	7.5
279.23422	5.6
281.24780	1.3
297.24283	13.6
309.24319	5.1
313.23792	4.9
317.15338	1.3
327.25238	2.7
330.40717	1.3
351.25354	1.4
418.27170	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87461	1.1
55.01874	1.5
57.03435	11.1
59.01377	80.5
59.52452	1.0
67.01871	1.7
68.99815	3.5
69.03447	6.0
70.38000	3.0
71.01378	13.2
71.02000	1.0
72.99305	6.4
73.02952	1.9
81.03454	1.3
83.01379	5.7
85.02947	33.1
87.00858	5.9
87.04512	2.9
96.96027	1.4
97.02940	10.0
97.06600	1.4
99.00868	9.3
101.02466	1.3
111.00877	3.8
113.02450	3.6
115.03975	6.2
115.69766	1.1
124.09445	1.0
129.01938	27.0
133.48715	1.1
134.03659	1.0
141.01926	5.0
143.50792	1.0
147.08113	2.7
153.07101	1.0
159.02992	5.4
165.09186	2.4
181.12233	1.3
191.05589	31.2
195.99744	1.1
209.06644	8.0
225.11298	74.8
226.11682	3.5
246.21231	1.0
271.89981	1.1
335.49408	1.0
337.11072	1.1
417.17627	100.0
418.17892	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	417.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03443	6.2
58.00601	1.2
59.01376	100.0
60.01715	1.7
61.98826	53.6
62.95491	1.0
67.01881	1.0
68.99835	1.8
69.03446	2.8
71.01379	32.3
71.62570	1.8
72.99310	3.5
73.02944	11.6
74.02457	1.3
75.00893	1.3
79.95750	1.9
81.03482	1.3
83.01372	5.4
85.02950	23.2
86.03277	1.1
87.00884	4.5
87.04504	1.7
89.02438	12.7
91.02880	1.3
92.65923	0.9
95.01393	2.5
96.95998	11.7
97.02937	5.8
99.00891	8.6
101.02443	22.3
107.01359	1.8
111.00890	2.9
111.08184	1.5
113.02446	16.6
115.04009	3.5
119.03494	2.0
121.06590	3.0
122.03781	2.0
123.08222	1.1
125.02442	1.3
127.03989	2.5
128.03450	1.3
129.01926	10.6
131.03458	1.2
135.04517	1.7
135.08163	1.7
137.09706	5.8
137.74593	1.2
139.07651	12.8
141.01929	1.6
143.03519	2.1
148.96028	1.0
149.02408	2.7
149.04532	1.8
152.07225	1.8
153.05501	1.0
159.02959	5.5
161.04544	36.5
162.04907	1.6
163.07576	5.0
166.02721	2.5
167.09433	1.0
169.05530	1.1
181.05043	1.6
181.08696	12.0
191.05588	9.4
195.10234	3.2
196.64037	1.0
203.08334	1.1
209.06624	9.8
211.07111	1.1
216.77148	1.0
218.99419	1.9
225.07782	5.2
225.11310	6.2
226.11758	1.3
237.00356	2.8
241.00269	1.5
269.10101	2.7
357.15472	19.7
358.15717	1.7
382.13950	3.1
399.16748	2.7
417.12946	15.4
417.17804	11.7
418.18408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85302	0.8
59.01376	5.4
60.33739	0.7
61.98820	2.1
64.84749	0.7
68.59138	0.8
70.29843	0.7
71.01372	6.2
71.25385	0.8
73.02943	2.1
74.02470	1.1
75.00859	3.2
78.95904	2.1
79.84097	0.9
79.95728	5.6
80.96516	4.2
81.03450	0.9
85.02941	2.7
87.00857	1.9
88.98799	0.9
89.01959	1.0
89.02441	4.4
96.96005	72.3
96.96960	1.9
97.02960	1.1
98.95592	1.4
99.00851	1.5
101.02437	6.9
111.04390	1.0
113.02441	4.7
116.07121	0.8
119.03484	0.9
122.03697	1.0
123.04497	1.2
125.02459	4.1
128.03526	2.0
132.53650	0.9
135.04472	1.1
138.97050	3.3
143.03436	1.2
150.97025	1.5
161.04555	2.8
166.96594	1.2
168.00719	1.7
180.98077	1.2
185.14020	1.0
212.10312	1.1
241.00229	14.4
249.06039	1.5
249.09680	2.1
255.11435	1.8
295.95825	1.0
373.07654	2.1
381.13989	24.3
382.14423	2.1
417.10779	100.0
418.11142	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1189
Annotation	5-Hydroxy-3,3',4',5',7,8-hexamethoxyflavone
Peak:m/z	Relative Intensity
57.03419	1.0
58.97975	0.5
59.01379	8.2
61.98829	3.6
67.26389	0.5
68.99808	0.7
69.47776	3.0
69.48186	1.2
71.01375	4.2
72.99282	0.6
73.02929	0.9
79.95714	1.3
80.91678	0.9
85.02932	2.1
87.00868	0.9
89.00314	1.0
89.02428	1.7
91.01881	1.8
95.01376	0.8
96.96004	9.2
96.99297	5.9
98.95593	0.9
99.00843	0.6
101.02426	2.3
106.00596	0.7
108.02126	0.9
109.02937	1.7
111.00824	0.9
113.02428	1.0
117.03455	2.2
121.02140	0.9
121.02951	12.1
123.00834	1.0
123.04532	4.1
124.01626	1.5
133.03001	0.6
134.03725	16.3
135.04475	0.9
137.02426	1.0
138.03229	1.0
139.03990	1.7
145.02939	2.9
146.03734	5.4
147.04527	3.4
148.01642	0.8
148.05301	0.7
149.02415	11.4
149.06087	1.4
150.03093	1.0
151.03903	0.8
153.05542	4.6
157.87746	0.6
158.03725	4.0
159.04492	7.7
160.01642	1.5
160.05263	0.8
161.02470	4.6
161.06027	2.2
162.03204	3.9
163.03983	5.8
164.04776	7.2
165.05508	0.7
173.02376	1.6
173.06056	3.1
174.03188	4.0
175.03975	3.4
176.04778	3.7
178.02681	2.6
179.03391	0.8
179.07002	1.2
181.05020	1.4
187.03868	0.7
188.04718	3.1
189.05545	6.1
190.02478	0.6
193.01424	0.7
193.05032	9.4
203.07111	2.1
208.03726	2.6
209.06477	0.7
223.06068	3.9
225.11215	0.8
228.47867	0.5
241.00218	1.3
254.05811	0.9
256.09732	1.1
256.99722	1.2
264.04291	0.8
265.04950	1.7
266.05765	0.7
267.06686	0.6
271.06073	1.6
281.04547	3.3
281.07608	0.7
282.05289	4.3
283.06091	1.5
286.08292	1.1
293.04678	0.9
296.06790	4.9
297.07596	5.4
298.08173	1.4
299.09027	3.2
301.10718	1.5
309.04099	1.1
309.07645	0.6
310.04828	3.5
310.08069	0.9
311.09238	9.0
312.09760	3.1
313.10733	2.3
314.11456	1.8
325.07141	10.2
326.07379	1.1
327.12411	0.6
339.08621	1.2
340.09412	7.4
341.10016	0.8
355.11862	7.9
369.06207	1.4
373.13129	0.7
373.25961	0.8
384.08401	1.5
399.10742	5.0
400.10916	0.8
417.11804	100.0
417.24991	2.0
418.12119	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30551	6.1
59.01376	97.2
59.12169	5.8
70.99596	8.5
70.99923	14.4
71.01384	24.8
73.02965	13.7
85.02950	23.9
87.00861	7.0
96.96006	23.2
101.02426	24.2
113.02464	7.8
135.04521	7.3
161.04550	9.5
171.72765	6.3
181.08711	19.9
191.05635	10.4
209.06606	13.6
223.26840	7.6
225.07603	21.1
225.11415	14.6
232.77635	6.2
249.13417	16.1
283.22644	6.9
327.08826	11.3
357.99017	6.3
381.17630	83.7
417.15076	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	417.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
71.01380	3.1
71.06711	0.6
71.07042	0.7
72.58199	0.4
73.02930	0.7
76.61375	0.4
79.95732	7.0
80.96515	6.4
83.01391	1.3
85.02935	0.9
87.00871	1.6
89.02431	0.7
94.98054	0.5
96.96005	67.3
101.02438	4.0
113.02460	1.5
137.96251	0.8
138.45918	0.4
138.97052	6.1
150.97060	1.7
166.96542	1.3
180.98128	0.8
241.00214	23.2
242.00549	0.8
359.06717	0.4
417.10678	100.0
418.11032	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	416.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98828	100.0
66.20030	0.4
71.01379	0.9
71.61744	0.5
71.87230	0.4
72.99335	0.5
78.95908	1.2
79.95724	0.4
87.00905	0.4
89.02419	0.4
96.00911	0.5
96.96013	7.1
96.96983	1.7
98.02496	0.4
98.95618	1.0
99.05638	0.4
100.28372	0.4
101.02476	0.7
113.03547	0.6
122.03763	0.8
127.05138	0.5
128.03540	0.8
130.08731	0.6
146.08286	0.9
165.05589	0.6
168.43822	0.3
241.00308	0.5
312.20193	0.4
332.25189	0.4
372.19449	0.4
380.15533	2.1
405.74948	0.4
416.09235	0.8
416.21622	0.9
417.10657	1.7
417.19818	0.7
437.40292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3166
Annotation	Olvanil
Peak:m/z	Relative Intensity
58.02966	0.7
59.01369	1.1
61.98828	0.4
69.53304	1.1
79.05527	0.2
81.03451	0.6
91.05535	0.7
93.03442	1.1
95.01404	0.4
95.05014	2.0
95.28866	0.2
105.03467	0.3
107.05021	2.0
108.02157	1.8
109.02958	0.5
109.95037	0.2
121.02917	0.5
122.03737	4.2
122.04610	0.3
123.04514	57.3
124.01682	0.5
124.04850	1.9
128.76894	0.2
134.03717	0.8
135.04514	3.6
135.05479	0.3
137.02420	1.0
141.01686	0.4
146.62634	0.2
152.07166	1.2
154.01630	0.2
154.02722	1.1
178.05093	0.3
248.12956	0.3
253.21712	1.8
254.22125	0.3
280.23538	0.6
280.26453	1.7
313.30350	0.2
324.25534	0.3
335.22073	1.1
363.22278	0.2
416.31650	100.0
417.31985	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	417.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84373	0.9
59.01379	11.7
61.98818	2.8
62.66787	0.8
69.03460	5.4
71.01386	5.2
71.62151	1.0
72.04558	1.4
72.99306	1.7
73.02961	1.1
74.02486	2.1
78.59895	0.8
79.01913	1.1
79.95728	1.1
81.03470	1.9
81.89125	0.8
83.01399	2.6
85.02951	4.8
87.00896	1.9
87.04504	0.8
88.04029	0.7
89.02449	2.6
93.03443	1.1
95.01379	2.7
96.96004	10.9
97.02949	5.3
99.00883	1.4
101.02448	2.7
107.01396	2.2
109.02957	1.2
111.00890	3.4
111.04531	0.9
113.02425	1.5
119.03470	1.5
121.02908	1.2
123.00861	7.4
123.04476	2.1
124.01654	24.6
125.02441	100.0
126.02789	3.1
128.03551	1.7
129.01939	1.5
137.02469	2.6
138.03262	0.7
143.03505	4.3
148.01662	0.8
149.99574	45.6
151.00366	3.9
153.05540	0.9
160.25304	0.9
161.04442	1.1
167.03433	2.2
168.00629	99.6
169.01387	9.3
187.10841	1.0
191.05583	1.3
194.47397	0.8
196.09818	1.1
209.06616	1.2
247.51872	0.7
313.05573	4.9
331.06677	70.9
332.07181	5.3
343.19525	0.8
355.06741	6.5
373.07724	86.2
373.20697	2.0
374.08099	8.3
388.16248	2.8
399.05725	1.8
417.06033	3.9
417.14783	9.3
417.19379	1.7
417.23965	1.4
418.17181	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	417.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97790	1.1
53.72351	1.1
54.06266	1.1
55.01868	1.8
57.03423	5.3
57.46489	1.3
57.50504	1.2
59.01092	1.6
59.01371	24.9
61.98822	9.6
67.01891	1.6
68.81226	1.1
68.99798	3.7
69.03429	3.7
71.01376	25.0
72.04530	3.4
72.99308	8.8
73.02926	3.8
74.02455	1.7
75.00461	1.4
75.00864	18.4
76.63119	1.1
79.95703	1.4
81.03419	1.7
83.01363	4.8
84.04541	1.7
85.02426	1.9
85.02941	33.7
85.38438	1.1
87.00871	9.9
89.02437	8.9
91.01881	10.7
91.03959	1.5
93.03425	1.8
95.01388	6.3
96.96011	11.4
97.02950	2.0
98.19904	3.1
98.95582	1.5
99.00882	14.9
101.02401	2.2
103.00343	2.0
108.02147	5.1
109.02943	6.9
111.00851	4.6
111.04517	5.7
113.02444	29.2
115.00377	2.3
115.03960	1.2
117.01915	3.1
123.00848	2.8
123.04518	45.8
124.01611	3.4
124.04811	1.9
125.02396	2.4
127.48563	1.1
128.03503	1.6
129.01927	8.5
137.02403	1.4
149.99486	1.6
151.00291	2.2
152.01094	5.1
153.01903	10.8
153.05447	1.3
159.02869	1.2
166.02818	1.2
167.03474	87.0
167.42464	1.1
168.00616	1.2
168.03830	5.6
169.05008	3.7
175.02377	3.6
191.05519	3.1
196.09766	2.6
209.04837	1.2
209.06541	5.5
212.56406	1.1
225.11246	1.6
226.04712	3.1
227.05565	5.5
231.04965	4.6
239.02876	1.1
241.07156	7.9
249.06128	52.4
250.06364	2.5
267.07175	22.3
313.91135	1.2
347.04044	3.3
355.10266	2.7
357.08102	2.1
373.11526	1.2
385.07468	3.2
388.16092	10.7
399.09183	9.8
417.10187	100.0
418.10635	11.3
418.17020	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.7
66.00571	0.7
71.01381	1.9
71.16730	0.8
71.25768	0.9
71.26094	1.4
73.02946	3.3
80.23105	0.9
83.01399	1.3
85.02929	2.0
89.02431	2.2
90.80462	0.8
93.64819	0.8
101.02437	12.7
113.02422	1.1
123.04523	1.6
131.03517	2.3
152.99533	0.8
160.80128	0.9
161.04538	15.5
162.84004	1.4
168.97810	0.9
186.23637	0.8
253.21696	100.0
254.22086	8.8
279.23236	2.3
284.55048	1.0
415.30399	2.1
416.31766	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	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80896	0.5
59.01378	100.0
60.01726	0.6
65.16758	0.6
71.08129	1.4
118.97957	0.7
170.67635	0.6
181.52731	0.7
238.21660	0.6
251.50681	0.6
279.23199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.0
71.25227	1.3
87.05531	1.0
112.98530	1.0
132.73256	0.8
193.55490	0.7
257.14597	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3215
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
58.24963	0.2
59.01373	1.2
74.75928	0.2
78.95924	0.3
80.26882	0.3
85.04427	0.3
96.95984	0.3
120.88104	0.3
123.04483	0.4
125.05003	0.4
136.14923	0.3
270.19748	0.3
277.21692	0.5
295.22879	0.4
304.44022	0.3
415.32187	100.0
416.32492	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	416.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.48919	0.2
61.98826	100.0
69.49564	1.6
71.01411	0.3
79.70027	0.3
85.13338	0.3
96.96028	1.3
136.04022	0.9
217.26498	0.3
222.04472	0.3
249.06212	0.4
253.45473	0.3
361.08517	0.3
416.11884	1.3
417.11151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.5
57.96439	1.1
58.00578	2.6
59.01376	100.0
60.01687	1.4
61.98823	2.6
69.50140	8.7
71.01380	47.8
71.04967	1.3
72.99295	6.5
73.02932	5.3
75.00876	2.3
79.35578	1.1
79.95738	6.6
80.96532	1.3
83.01373	3.9
83.05011	1.6
85.02938	15.7
87.00864	4.3
87.50135	1.0
89.02441	50.9
89.02992	2.8
95.01363	4.4
95.93774	1.1
96.96003	45.6
97.02942	2.1
97.06549	2.2
98.20688	2.2
98.95582	6.0
99.00864	2.8
99.04506	18.0
101.01782	1.3
101.02439	26.7
109.02941	1.5
113.02437	19.2
115.03982	1.3
119.03486	19.1
123.08187	1.6
129.01895	2.5
131.03467	1.8
133.10181	3.8
135.04495	1.3
138.97064	3.1
143.03476	2.3
146.03699	1.2
151.00415	1.6
153.01892	1.4
153.12807	2.5
161.02414	1.8
161.04506	3.7
161.13370	2.2
173.13319	15.9
179.05595	8.0
179.10739	3.2
191.05510	2.1
191.14322	4.4
193.12297	2.9
194.74284	1.1
209.06358	3.0
211.13324	5.2
217.12283	1.7
223.07706	1.2
235.13361	87.6
236.13728	5.7
237.05508	4.7
241.00247	2.9
249.05463	2.4
251.06955	1.4
265.04947	6.0
266.05673	2.4
267.06619	2.5
271.06058	2.0
279.06589	2.4
280.07388	11.2
281.04245	1.3
295.06094	3.3
309.07767	1.4
310.08441	2.7
312.06140	2.1
325.07080	4.3
325.10709	7.6
332.46753	1.3
340.09439	3.6
355.11749	15.1
355.17523	4.8
356.12186	2.5
367.08084	1.4
371.17133	2.4
373.13400	1.9
373.18643	13.5
382.10455	4.4
397.12814	4.8
400.30319	1.3
414.65753	36.5
415.14883	20.3
415.19684	19.4
415.65677	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	415.231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33775	0.6
59.01374	4.0
65.74216	0.7
67.84456	0.7
70.83595	1.6
73.02942	0.9
74.99102	5.5
77.00660	74.3
78.00985	0.8
78.95889	4.7
96.96014	1.5
110.98515	3.1
113.02460	0.7
116.51494	0.6
147.08095	1.1
149.09718	1.7
163.11278	2.2
178.71626	0.6
187.11316	2.1
192.07994	0.7
224.26100	0.7
227.66203	0.7
244.37791	0.7
253.21683	3.1
267.23267	1.3
280.14645	1.5
302.75507	0.7
309.22141	1.6
337.21686	100.0
338.22037	12.8
415.23077	18.6
416.25906	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33847	0.3
51.76853	0.3
59.01376	100.0
60.01711	1.1
69.87155	1.0
69.87568	0.5
71.01371	1.5
73.02945	1.0
79.95764	0.6
80.96509	0.5
83.01366	0.4
85.02956	1.0
89.02433	0.6
96.96004	11.2
98.95625	0.3
99.00907	0.5
101.02426	0.8
113.02443	1.3
131.20097	0.3
138.97104	0.5
161.04593	0.5
241.00250	0.9
286.42838	0.3
415.16385	13.6
416.16867	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	415.1606
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
50.33443	0.6
55.01855	0.9
57.03431	1.8
58.00582	2.9
58.42320	0.7
59.01374	71.5
61.98823	5.0
66.00261	0.6
67.39059	0.6
69.03432	0.9
71.01376	54.7
72.99316	3.5
73.02941	17.2
73.04044	1.1
80.79286	0.8
83.01372	1.6
85.02951	7.0
85.83559	0.7
87.00866	2.5
89.02437	100.0
90.02756	1.8
93.03443	0.8
95.01373	0.8
96.96012	7.3
97.02953	2.3
98.20625	1.7
98.71286	0.7
99.00869	32.3
99.04491	0.8
100.01226	0.7
101.02435	33.6
102.02774	0.9
109.01661	1.4
109.02905	1.1
113.02447	11.8
119.03486	8.4
125.02451	4.3
129.01930	2.4
129.10329	0.7
130.08772	1.5
131.03497	18.4
131.04446	1.4
137.02403	1.3
138.96988	0.8
143.03487	2.1
149.02486	3.1
149.04538	62.8
150.04883	1.0
152.99600	0.8
159.02943	0.8
161.04561	4.3
164.04790	2.0
165.72878	0.6
179.05602	2.2
186.12439	1.6
191.05582	16.5
193.91206	0.7
209.06703	4.7
210.07533	0.9
221.06677	3.4
223.06105	2.6
233.06567	0.8
241.00101	1.3
251.07736	3.9
275.07788	0.7
280.07260	1.3
281.19876	1.0
283.11935	1.8
293.08853	0.8
295.06067	1.2
310.08630	1.0
325.10611	1.4
340.09253	0.9
355.11807	2.1
372.41153	0.7
380.18079	0.9
397.12411	0.8
397.21021	1.3
415.11783	3.1
415.15988	10.8
415.21848	2.1
416.16666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1968
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.60424	0.5
55.01867	1.6
57.03442	0.8
58.00584	2.2
59.01373	100.0
60.01713	1.0
69.03465	1.2
69.53881	3.2
71.01375	49.3
72.01704	1.3
72.99293	2.3
73.02938	78.1
74.03272	1.0
75.00873	0.6
79.95754	1.0
80.96541	0.6
83.01379	22.7
85.02940	6.0
86.03318	0.5
87.00845	1.6
89.01908	0.9
89.02435	15.0
93.73410	0.5
95.01374	2.2
96.96003	7.7
97.02943	1.3
98.95568	6.6
98.96374	1.4
99.00846	1.8
99.04445	0.6
101.02433	65.8
102.02743	1.5
113.02438	14.6
119.03493	5.7
125.02389	1.6
131.03487	4.5
140.96570	0.5
143.03464	4.9
149.04553	3.7
155.03427	2.0
155.36478	0.6
161.04536	12.5
171.89453	0.5
179.05579	0.6
193.12308	9.4
193.35095	0.5
194.12665	0.6
203.05539	0.8
211.13242	1.6
311.59869	0.5
313.65256	0.5
314.12076	0.5
355.17548	3.2
365.86807	0.5
373.18588	11.9
374.18546	1.2
390.64407	0.6
414.65094	2.5
415.14447	12.7
415.19232	30.8
415.65176	0.9
416.15173	0.7
416.19550	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	413.3056
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
52.69297	0.3
59.01376	16.9
69.56609	0.7
69.57026	1.5
75.00882	0.3
96.76612	0.3
142.16429	0.3
178.88365	0.3
277.21701	1.4
413.30566	100.0
414.30869	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	414.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34261	0.3
59.01383	2.0
61.98827	9.9
69.64572	1.7
69.64980	0.7
71.01376	8.6
81.24090	0.3
85.02967	0.7
87.00884	0.6
88.04036	1.2
88.98807	0.6
89.02459	1.3
91.01900	0.5
93.03445	7.6
96.96006	6.8
101.02451	0.9
107.14869	0.3
109.90917	0.3
113.02450	0.8
114.01971	0.9
115.00362	8.5
118.02982	8.8
119.03477	0.5
121.02962	0.8
123.04454	0.3
127.05151	0.5
128.03516	0.5
132.03015	1.0
134.03694	0.9
135.04497	1.2
136.04033	100.0
137.02438	4.6
137.04358	3.4
138.97050	0.4
146.06119	1.6
152.02885	0.3
162.05515	0.4
164.07143	6.4
178.02628	0.4
190.05029	0.8
193.05023	1.5
205.08632	0.4
208.06134	9.9
208.09552	0.5
234.03995	1.8
250.10779	0.7
251.11151	0.6
252.05118	11.8
252.11093	0.6
253.05380	0.3
318.54913	0.3
357.08698	0.5
396.09189	1.3
414.10391	34.5
415.12817	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	414.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
59.94758	0.3
61.95350	0.3
61.98806	0.4
64.86541	0.3
71.01402	0.5
71.61442	0.4
74.99364	0.3
78.95905	0.8
84.08209	0.5
87.00908	0.3
88.04008	0.4
89.02422	0.5
91.98298	0.3
96.96003	1.1
105.97886	0.3
123.33905	0.3
128.03517	0.4
130.08727	100.0
131.09102	2.7
133.01546	0.3
136.04033	0.5
150.04182	0.7
188.07813	2.0
189.07912	0.3
197.07875	0.5
201.02472	0.4
214.05544	0.3
216.07149	0.3
243.08322	1.1
249.07622	0.5
272.09845	1.0
299.14590	3.3
301.16101	5.4
302.16620	0.4
332.67941	0.4
414.24548	76.8
415.24777	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	414.301
Annotation	Myxalamid A
Peak:m/z	Relative Intensity
58.02971	2.1
59.01366	0.2
69.54230	1.1
72.04557	0.2
75.56499	0.1
81.03454	0.7
86.06077	0.2
91.05556	0.7
93.03447	1.3
95.01382	0.4
95.05018	2.9
96.41586	0.1
100.07695	0.1
105.03442	0.4
106.04255	0.1
107.05030	1.7
108.02181	1.6
109.02950	0.6
114.09235	0.4
121.02944	0.6
122.03728	6.0
123.04515	61.8
124.01642	0.3
124.04850	1.8
128.10832	0.2
134.03719	1.8
135.04527	3.9
136.04956	0.2
137.02451	1.0
150.05634	0.4
152.07161	1.7
154.02707	0.9
167.90192	0.2
178.05113	0.6
219.72227	0.2
234.51711	0.1
240.34529	0.1
248.12988	0.2
251.77615	0.2
278.24866	0.5
279.23209	1.2
414.30081	100.0
415.30417	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	413.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.4
57.03440	0.7
58.09768	0.3
59.01378	2.9
66.05093	0.3
67.72102	0.3
69.53058	1.9
71.01369	2.6
72.99295	0.6
73.02947	1.1
73.44103	0.3
79.95731	3.3
80.96535	2.1
83.01352	0.6
85.02950	1.5
89.02473	0.5
93.03452	18.9
94.03792	0.7
95.95251	1.3
96.96006	72.4
98.95558	0.8
100.60840	0.3
101.02448	1.9
111.04547	0.3
113.02435	1.0
119.05022	4.4
122.97586	0.9
137.02440	46.7
138.02802	1.7
138.97078	2.2
150.97101	1.1
161.02435	0.5
164.98573	0.5
177.04045	0.4
180.98169	1.2
198.99246	0.6
217.09979	0.3
241.00229	4.1
242.00520	0.4
244.29459	0.3
251.09261	1.0
256.99805	1.0
293.28171	0.3
299.07635	3.9
413.14825	100.0
414.15170	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	413.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06846	0.3
59.01365	1.3
61.98824	0.6
69.52818	1.6
69.53223	0.6
70.16624	0.3
70.63387	0.3
74.16030	0.3
78.95898	3.6
79.95740	1.3
96.96005	100.0
96.96880	3.1
97.95957	0.3
98.19900	0.7
99.92556	0.6
110.98512	0.6
118.90001	0.7
120.89693	0.6
191.96590	0.3
353.15527	0.3
413.15762	1.5
413.28009	0.7
414.24228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2178
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01863	1.4
55.58181	0.3
57.03438	2.4
58.00571	0.7
59.01375	16.6
59.98498	0.5
61.98811	1.7
65.92688	0.4
69.03443	0.6
69.70248	0.7
69.70649	1.8
71.01377	19.9
72.99297	1.5
73.02942	7.0
73.89463	0.4
75.00871	1.7
76.06376	0.4
77.66473	0.4
79.95686	0.4
82.95377	0.4
83.01369	4.4
85.02945	11.8
86.69280	0.3
87.00867	1.2
89.02441	5.5
91.40585	0.4
95.01369	2.2
96.96008	4.3
97.02915	0.7
98.19844	0.5
99.00867	3.2
99.04503	1.2
101.02438	12.2
102.02765	0.6
113.02435	7.3
114.36062	0.4
119.03476	1.5
129.01907	1.3
144.58496	0.4
159.02975	0.7
161.04535	1.0
190.88823	0.4
204.06779	0.4
209.85144	0.4
233.15288	0.6
235.17000	10.0
236.17441	0.5
241.00203	3.1
245.17538	0.8
251.16492	5.1
375.27490	1.1
413.21756	100.0
414.22073	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	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46819	0.3
55.01869	0.9
57.03450	1.0
59.01376	100.0
60.01706	1.2
67.09166	0.3
69.89268	0.9
69.89674	0.5
70.57014	0.3
71.01377	9.9
71.01763	0.6
72.99294	0.4
73.02937	3.5
74.64645	0.2
75.00875	0.6
79.95724	1.5
80.96504	0.5
81.76804	0.3
83.01388	1.8
85.02950	4.6
87.00901	0.7
89.02463	1.6
95.01396	0.5
95.95238	0.7
96.96004	20.1
97.02956	0.3
98.95576	0.3
99.00872	1.0
101.02438	7.4
111.00899	0.2
113.02436	4.2
119.03481	0.3
125.02473	0.4
135.04510	0.4
137.09641	0.3
138.97064	1.4
143.03479	0.6
159.02983	0.6
161.04561	3.2
175.19479	0.3
177.04048	0.3
198.99190	0.6
209.15448	2.0
241.00146	1.2
259.01221	0.3
353.19638	2.4
371.20694	12.3
372.21094	1.2
412.64133	1.2
413.14728	16.0
413.21515	1.1
413.64932	5.3
414.15295	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	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01702	0.9
71.39581	1.0
262.71542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01703	0.8
61.12417	0.7
63.42910	0.8
71.25614	2.0
130.00694	0.7
143.34668	0.8
214.63091	0.9
217.05475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1114
Annotation	Futalosine
Peak:m/z	Relative Intensity
50.60001	0.3
59.01378	9.6
63.29905	0.4
70.90456	0.8
71.01373	3.2
72.99294	0.5
73.02942	1.5
79.95722	3.0
80.96510	1.9
83.01382	0.7
85.02945	1.0
87.00867	0.5
89.02457	1.1
90.09652	0.4
95.95213	0.5
96.96005	78.3
101.02435	1.9
113.02475	1.0
119.05088	0.4
122.97568	0.8
131.05043	0.4
138.97070	1.8
143.03404	0.4
147.04521	4.3
149.06047	0.9
150.97041	1.5
161.02521	0.5
164.08405	1.5
164.98535	0.6
176.01129	1.8
179.03482	0.6
180.98109	1.3
191.03464	2.2
194.05779	0.6
204.27415	0.4
209.08160	1.3
241.00233	5.6
267.07275	0.8
284.05881	0.6
413.11160	100.0
414.06375	0.6
414.11542	9.8
414.23416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40574	0.4
56.27621	0.4
57.10579	0.4
59.01382	2.2
71.01381	1.3
71.62405	0.7
73.98914	0.4
79.95741	3.6
80.96510	2.0
85.02943	0.8
87.00846	0.4
89.02473	0.8
95.95229	1.7
96.96003	87.7
101.02441	1.3
111.06426	0.3
113.02443	0.8
122.97559	1.2
124.89372	0.4
138.97049	2.6
140.24377	0.4
150.97067	2.1
164.98535	0.5
180.98050	0.6
198.97546	0.4
198.99176	1.8
222.99030	0.5
225.00688	0.6
241.00204	4.3
259.01199	0.5
413.14819	100.0
413.65097	1.1
414.15112	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	412.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02789	0.9
53.69624	0.8
57.03454	0.9
59.01373	2.7
61.98817	1.3
65.12974	0.9
69.70355	4.9
97.91531	0.8
100.04050	2.0
101.13596	0.8
124.77863	0.9
148.04379	40.7
221.37788	0.9
242.32649	1.0
252.62254	1.1
263.23596	1.4
297.52390	0.9
306.28003	19.3
307.28329	1.9
320.29480	9.5
321.29901	0.9
364.28482	10.3
365.28894	1.1
412.28860	100.0
413.29163	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	413.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58706	0.5
59.01373	1.5
69.65441	2.0
69.65846	1.7
71.01378	1.2
78.95899	2.0
79.95714	1.9
81.03445	0.6
85.02951	1.7
85.85704	0.5
89.02456	0.9
93.77389	0.6
95.01403	0.6
96.96005	100.0
96.96882	3.2
98.19808	0.6
99.00853	0.7
101.02420	1.2
108.02168	34.6
109.02975	11.6
121.02960	0.7
129.67693	0.6
136.03979	0.6
151.03975	0.9
152.01141	33.3
153.01935	12.2
154.02339	0.6
161.04503	0.7
165.01924	1.1
199.77827	0.6
315.07193	64.1
316.07587	4.4
413.10751	1.3
420.28928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26756	0.4
55.01873	0.6
55.17650	0.4
59.01363	1.6
66.91302	0.4
69.31911	1.0
69.32333	2.6
71.01379	3.0
73.02940	0.4
74.24231	0.4
78.95917	0.6
79.95712	2.5
80.96511	1.3
85.02932	1.5
86.13531	0.3
93.03450	40.7
94.03788	1.0
95.95222	0.8
96.96003	43.8
98.95565	0.9
101.02442	1.1
108.61818	0.4
113.02436	1.7
137.02434	100.0
138.02769	3.8
138.97083	1.6
150.97089	0.8
152.99545	0.4
156.55064	0.4
161.04553	0.6
180.98088	0.6
208.68196	0.4
222.99146	0.5
241.00243	2.9
299.07675	8.3
300.08206	0.6
413.14838	61.2
414.15155	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	412.2852
Annotation	Metachromin S
Peak:m/z	Relative Intensity
51.71189	0.2
55.69476	0.2
58.02971	2.9
67.01898	0.2
67.77042	0.2
68.61219	0.2
70.63180	0.5
72.04556	0.5
72.73680	0.2
79.05521	0.2
80.51807	0.2
81.03450	0.4
86.06085	0.2
91.05534	0.8
93.03458	1.5
95.01398	0.4
95.05014	3.0
95.05584	0.2
100.07676	1.2
105.03503	0.3
107.05016	1.6
108.02168	2.0
109.02946	0.6
114.09232	1.7
117.49902	0.2
121.02950	1.5
122.03731	7.2
122.04615	0.4
123.04516	59.9
124.01657	0.5
124.04845	2.0
128.10797	2.2
134.03729	9.3
135.04532	4.7
137.02466	1.2
150.05585	0.8
152.07162	1.5
154.02713	1.2
162.27454	0.2
178.05086	3.9
179.05409	0.2
206.08247	0.8
220.09735	0.8
234.11333	0.8
248.12924	1.2
262.14496	0.9
276.23257	0.3
277.21695	0.9
279.23267	0.6
302.17310	0.2
309.46469	0.2
317.19864	0.4
335.43561	0.2
343.21469	0.8
368.22336	0.2
368.29803	0.2
382.23495	0.2
410.26724	0.5
412.28513	100.0
413.28851	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	411.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55727	0.3
54.84418	0.3
59.01377	2.4
67.11329	0.3
71.01363	2.3
71.07599	0.4
71.07921	0.4
72.99301	0.7
73.02930	0.5
75.00871	0.8
79.95733	4.7
80.96499	2.1
83.01351	0.5
85.02946	1.4
87.00877	0.4
95.95226	5.4
96.63922	0.3
96.96004	82.7
99.00891	0.8
101.02442	1.3
109.43429	0.3
113.02428	0.5
122.97575	1.1
129.01932	0.9
135.04515	0.4
138.97064	1.7
150.97073	1.4
153.10672	0.3
168.98079	0.9
177.04019	6.7
180.98123	0.6
183.17683	0.3
189.01939	0.8
194.99635	0.5
209.52898	0.3
212.44031	0.3
213.00694	1.0
222.99109	0.5
225.00714	0.6
233.91431	0.4
241.00212	3.2
256.99741	6.2
258.00195	0.5
277.56866	0.3
339.07364	0.5
366.47574	0.4
411.13266	100.0
412.08118	0.5
412.13580	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	0.9
63.62889	0.3
70.14439	0.3
70.47572	0.7
70.47933	0.9
86.11816	0.4
92.50383	0.3
93.03437	0.4
122.03758	0.8
123.04522	4.3
134.03760	0.5
184.91284	0.3
277.21939	0.4
412.28488	10.3
412.33881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34710	0.6
54.60092	0.7
59.01376	100.0
60.01725	1.0
70.37460	2.0
74.06105	0.6
82.27427	0.6
83.93945	0.6
98.20032	0.9
112.15195	0.6
306.89566	0.7
343.61853	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94285	0.2
54.86110	0.2
59.01363	0.5
59.50653	0.2
61.98822	0.4
71.01387	0.4
71.07476	0.3
71.07817	0.3
79.95739	0.3
80.96526	0.4
89.02479	0.3
93.03479	0.2
96.96010	2.4
97.71361	0.2
101.02469	0.2
107.05025	0.6
109.02879	0.3
116.03687	0.2
117.03485	0.2
121.02908	0.3
133.02946	0.3
134.03740	0.8
135.04518	66.4
136.04002	0.3
136.04871	2.9
138.69925	0.2
146.03793	0.2
148.05276	0.6
160.04021	0.5
161.02361	0.3
176.03391	0.3
178.05093	0.2
184.54007	0.2
208.09732	2.1
238.98640	0.3
248.09280	0.6
249.09674	0.3
250.10817	100.0
251.11163	6.7
256.99625	0.4
412.10413	0.4
412.16080	7.7
413.11066	2.6
413.16330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40899	14.1
59.01380	92.4
66.93800	13.4
71.01385	68.3
71.61026	18.7
84.23782	14.0
89.02425	90.5
94.48853	15.3
96.95995	33.1
96.96999	17.3
101.02433	31.0
113.02432	29.3
119.03456	43.5
135.04515	55.8
143.03474	23.6
145.02948	24.8
150.03114	24.2
161.02425	25.8
162.03180	31.4
163.04115	16.4
165.05565	34.0
169.92552	14.6
177.05536	33.3
178.02684	17.7
179.05589	64.2
181.04575	16.4
193.05040	63.9
195.06503	17.9
205.25452	15.1
205.27950	14.6
249.12376	36.7
250.10851	31.6
288.01154	15.1
289.43457	16.4
331.06430	20.4
357.11993	62.0
411.10760	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	411.106
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74622	5.4
61.98851	6.8
69.34888	21.9
69.35311	29.9
71.01392	7.4
94.67920	5.1
96.96005	67.8
98.95586	81.5
98.96426	15.0
101.02455	6.0
115.82653	5.5
135.04550	47.7
135.05421	9.0
140.96632	7.4
149.02437	21.9
150.03226	50.8
161.04587	6.7
164.04774	14.1
165.05565	100.0
167.16603	5.1
195.06613	54.4
198.01746	5.3
211.43182	6.0
241.00264	10.9
242.00594	9.4
242.99731	48.1
249.12415	73.2
250.10800	13.2
327.10767	33.9
357.11618	9.1
411.04404	51.8
411.10339	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27225	0.3
59.01380	2.5
69.59686	2.3
71.01377	2.8
73.02937	0.6
79.34564	0.3
79.95733	4.9
80.96522	1.8
83.01382	0.6
85.02948	1.2
89.02441	1.5
95.95223	6.8
96.96003	59.4
101.02440	2.2
113.02427	1.0
122.97545	0.5
138.97041	1.6
150.97046	0.8
152.98608	0.6
161.04530	0.5
164.98584	0.5
177.04054	1.1
180.98059	0.9
225.00710	1.5
241.00224	4.0
256.99689	3.5
279.14536	1.3
313.05969	2.4
341.09061	14.4
342.09418	0.6
411.13278	100.0
412.13638	9.9
412.18668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
61.98823	100.0
62.99516	0.7
68.05325	0.6
75.00869	0.9
75.49947	0.6
75.98595	0.6
78.95905	0.7
96.50811	0.8
96.95992	0.7
229.20018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83839	0.5
59.01371	0.9
61.98836	0.5
66.62961	0.5
69.48562	2.1
69.48983	1.7
76.75529	0.5
78.95901	19.6
81.08072	0.5
84.04553	0.5
86.44677	0.5
96.96950	1.8
98.06120	0.9
98.20602	1.1
100.04030	2.3
100.94823	0.5
148.04382	42.4
149.04788	1.1
152.99586	21.2
153.99922	5.1
155.00110	0.7
167.66550	0.6
169.95308	0.5
261.22284	1.9
304.26431	13.0
304.29880	0.8
305.26935	1.7
318.27893	6.4
332.25977	1.0
362.26932	11.7
363.27399	1.7
366.28333	1.1
410.27386	100.0
411.27649	12.1
420.58575	0.5
423.72653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69908	0.4
55.44214	0.4
55.74701	0.4
57.03438	0.5
64.00455	0.3
65.00315	0.5
71.63352	0.6
75.00886	0.6
79.15444	0.3
79.95755	0.5
87.04494	4.0
94.76289	0.4
96.96009	2.9
98.00055	0.5
98.95609	1.0
110.00097	1.1
111.00885	3.7
112.01654	0.5
113.02437	2.1
136.98767	1.8
139.00362	3.6
140.01147	100.0
141.01514	3.2
153.46111	0.4
155.03490	54.8
156.03842	2.7
241.00208	0.6
243.00142	0.6
262.76541	0.4
290.46793	0.4
315.51526	0.4
316.06039	2.0
331.08194	74.3
332.08499	6.5
411.03571	1.9
411.12051	0.6
411.18475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01374	2.6
59.81984	0.4
61.98812	0.8
62.48042	0.4
69.03438	1.5
70.76608	1.0
71.01379	2.7
73.02963	0.7
79.95731	6.6
80.96507	1.6
85.02939	1.2
87.00825	0.8
88.98804	0.5
89.02425	1.3
92.07668	0.4
92.93469	0.4
95.01382	0.6
95.95237	5.7
96.96001	69.9
98.95584	0.7
99.00861	0.6
101.02406	1.5
113.02459	0.9
119.05015	25.6
119.60069	0.4
120.05362	1.3
122.97520	0.6
135.04483	1.3
138.97064	2.1
150.97067	1.2
152.98640	0.5
160.89906	0.5
163.03995	20.9
164.04340	0.9
177.04065	0.8
180.98082	0.6
185.00854	1.1
225.00691	0.7
241.00191	5.3
244.36795	0.5
245.64293	0.5
256.99719	3.3
313.05872	2.3
341.09055	11.8
342.09305	0.8
411.13318	100.0
412.13559	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	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18425	8.4
59.01378	54.4
61.21537	7.5
63.47958	9.2
70.77792	25.5
71.01371	32.3
78.95908	19.1
85.02940	10.6
87.00854	9.6
89.02444	41.1
96.96010	91.7
96.96951	31.3
98.95586	64.3
98.96160	9.2
101.02432	13.1
115.93253	8.3
119.03471	11.8
135.04521	19.8
145.02975	10.3
149.02405	18.8
150.03215	21.6
161.02458	9.1
161.04506	13.9
162.03221	19.0
165.05559	46.9
174.19527	7.5
177.05553	12.2
178.02736	12.8
179.05566	37.1
193.05019	29.7
195.06584	28.4
241.00169	11.9
242.99878	33.9
249.12422	64.5
271.77484	8.0
327.10864	22.8
357.11832	17.3
411.04416	38.9
411.09958	100.0
411.15680	14.3
412.10217	16.0
416.77411	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	409.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03437	3.4
59.01379	13.4
61.98830	1.4
67.01883	0.8
68.99799	1.2
69.03455	7.4
70.91044	0.6
71.01373	10.1
71.04994	0.7
71.62477	0.7
72.99308	5.4
73.02943	1.3
74.02467	0.7
79.95734	2.4
80.96486	1.5
83.01381	2.4
85.02945	15.8
87.00872	5.5
89.02440	2.7
95.01367	1.5
95.95213	0.9
96.96004	21.7
97.02944	10.8
98.95605	1.1
99.00895	3.8
101.02434	2.8
101.46265	0.6
108.87626	0.6
109.55016	0.6
111.00893	1.5
113.02440	2.4
115.03986	2.7
115.07652	1.0
120.99628	0.9
122.97559	0.8
125.09747	1.1
127.11283	1.6
129.01942	8.0
131.03419	0.8
131.07126	1.0
135.04494	4.8
135.08907	0.7
137.09700	3.1
138.97038	1.2
141.01933	6.2
143.03481	0.7
148.75992	0.7
153.09169	0.9
155.10764	31.4
155.12033	1.5
156.11110	2.1
159.03011	1.3
160.02228	1.0
171.10257	30.8
172.10555	1.8
181.08649	1.0
188.54242	0.6
191.05559	4.6
199.09726	5.7
209.06628	6.2
217.04364	3.0
217.10779	71.0
218.11043	3.6
241.00180	3.1
248.09285	2.3
256.99713	1.4
259.11850	1.5
277.06543	4.1
293.08615	0.7
349.18457	1.1
359.13214	1.4
359.51520	0.7
391.16055	2.9
406.63718	0.8
409.11826	5.8
409.17004	100.0
409.62140	0.7
410.17410	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	409.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80663	0.5
51.42271	0.5
55.61935	0.5
58.87563	0.6
59.01376	8.9
61.12047	0.5
61.98826	0.8
67.40633	0.5
70.17741	2.3
71.01371	0.6
78.95889	2.8
96.95992	1.1
98.20601	0.6
146.38702	0.6
152.99564	3.4
183.13889	17.7
184.14091	1.0
195.13892	23.6
196.14243	1.3
197.10629	0.5
206.79761	0.5
207.71062	0.5
213.14941	100.0
214.15302	4.5
230.99823	0.5
241.21742	0.9
265.00690	0.5
295.67221	0.5
409.24628	0.7
409.29614	12.1
410.29932	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	410.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
59.01376	14.8
60.96668	0.4
61.98825	100.0
71.01379	3.2
72.99306	0.6
73.02950	4.2
75.00842	0.5
79.95724	3.1
83.01402	1.4
85.02972	0.6
87.00867	0.5
89.02443	2.4
95.95232	0.8
96.96006	9.9
101.02437	3.5
113.02478	1.4
122.71281	0.4
131.03506	0.7
138.75786	0.4
138.97099	0.7
149.04558	1.0
161.04576	1.2
230.41338	0.4
241.00188	0.5
256.99756	0.6
259.01288	0.5
328.66058	0.4
330.17648	0.4
331.18323	0.5
350.12790	0.4
388.17239	0.5
410.12701	4.3
411.13235	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	410.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.4
59.01376	14.8
60.96668	0.4
61.98825	100.0
71.01379	3.2
72.99306	0.6
73.02950	4.2
75.00842	0.5
79.95724	3.1
83.01402	1.4
85.02972	0.6
87.00867	0.5
89.02443	2.4
95.95232	0.8
96.96006	9.9
101.02437	3.5
113.02478	1.4
122.71281	0.4
131.03506	0.7
138.75786	0.4
138.97099	0.7
149.04558	1.0
161.04576	1.2
230.41338	0.4
241.00188	0.5
256.99756	0.6
259.01288	0.5
328.66058	0.4
330.17648	0.4
331.18323	0.5
350.12790	0.4
388.17239	0.5
410.12701	4.3
411.13235	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	409.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.04426	0.8
57.03432	0.9
58.00585	2.9
59.01377	73.8
61.25754	0.8
61.98821	4.6
68.64370	1.0
69.03430	1.1
69.14801	0.8
71.01381	61.1
71.62124	1.5
72.01718	1.3
72.99303	4.1
73.02949	19.1
75.00860	0.7
79.95724	2.0
83.01383	2.9
85.02948	10.8
85.06595	1.1
85.40983	0.8
87.00860	2.8
89.02438	100.0
90.02763	1.8
93.03458	2.5
95.01373	2.0
96.96001	24.3
97.02940	2.5
99.00877	31.4
101.02440	42.1
105.63028	0.8
111.00879	0.8
113.02446	14.0
115.04014	1.1
115.07641	3.9
117.34341	0.8
119.03503	6.3
119.05001	4.8
119.05775	0.8
121.02927	3.8
122.03745	7.4
125.02441	7.3
128.03496	1.3
129.01921	1.0
131.03500	18.5
135.00954	1.1
135.04518	43.6
136.01649	1.5
137.02432	1.4
143.03497	2.9
147.04501	1.2
148.01649	1.4
149.02502	21.7
149.04544	61.6
150.03224	52.9
151.03532	2.1
161.04549	7.5
164.04770	5.4
165.05557	92.5
166.05887	3.3
175.02678	3.3
179.05557	1.6
180.04247	2.1
191.05612	14.0
195.06598	27.8
196.06967	1.4
213.07652	1.6
219.20821	1.0
221.06525	1.9
229.15742	1.0
233.06641	1.9
241.00223	4.6
248.09239	25.5
251.07738	4.4
277.12973	4.7
285.07684	2.0
286.08398	3.1
293.08743	3.0
301.10681	7.7
311.09933	1.4
355.99878	1.0
361.12903	21.6
362.13284	1.8
365.14777	1.1
394.06165	1.0
409.08542	9.6
409.17157	20.6
410.14450	21.3
416.79266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98592	0.7
55.01873	0.8
57.03441	1.5
58.00579	2.5
58.24678	0.7
59.01376	68.4
61.98832	4.1
68.93155	0.6
69.03454	1.5
71.01377	58.6
71.62277	1.1
72.99303	3.6
73.02943	18.0
75.00833	1.4
79.95732	3.1
81.03440	0.8
83.01389	2.6
85.02948	8.7
86.02392	0.7
86.56216	0.7
87.00854	2.4
89.02437	100.0
90.02764	1.5
93.03437	1.7
95.01399	1.5
95.05040	0.9
95.95210	1.3
96.96001	25.9
97.02987	1.2
99.00874	30.9
101.02435	41.7
102.02754	1.3
109.02928	0.8
113.02438	10.9
115.07640	3.2
119.03510	4.7
119.05010	6.7
121.02954	3.3
122.03718	6.4
123.04596	0.7
125.02449	6.9
131.03496	19.4
134.03745	0.9
135.00844	1.2
135.04515	40.2
136.01602	1.2
137.02422	0.8
137.06102	0.8
138.97066	0.9
143.03491	2.0
146.43867	0.8
147.04475	1.6
149.02550	14.8
149.04536	65.7
150.03218	43.8
150.04774	1.7
151.03815	1.8
156.06720	0.7
161.04523	6.4
164.04782	3.4
165.05553	69.8
166.05861	3.9
175.02823	1.2
179.05547	1.6
180.04286	1.6
191.05597	15.5
192.06160	0.8
195.06610	20.6
210.99237	0.8
221.06618	3.1
233.06648	1.8
241.00125	5.8
248.09241	26.5
251.07713	5.4
260.54510	0.7
277.12915	4.4
285.07764	1.8
286.08322	2.3
293.08792	2.0
293.42606	0.8
301.10733	4.9
361.12894	13.1
362.13181	1.1
365.14856	1.0
371.14734	0.9
374.21878	0.8
394.05692	0.9
399.45187	0.8
409.08258	16.8
409.17068	16.4
410.08868	1.2
410.14691	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	409.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
61.98826	5.6
64.36404	0.4
69.88289	2.2
71.01366	3.7
72.99301	0.8
73.02931	0.9
75.00893	0.7
79.95731	32.8
80.96503	5.5
83.01386	0.5
85.02950	2.4
87.00861	1.2
89.02428	2.1
95.01414	0.5
95.95227	5.3
96.96003	96.7
97.02930	0.4
97.06587	1.8
99.00870	1.0
101.02437	3.2
107.05015	0.6
110.97579	1.8
113.02427	1.4
115.07654	0.5
119.05003	0.6
120.01320	0.5
122.97540	0.6
123.66306	0.4
134.03722	1.2
135.04515	62.6
137.96240	0.6
138.97063	4.7
143.89847	0.4
147.04491	1.0
150.03181	0.9
150.97043	0.7
152.04776	0.6
159.06587	0.8
161.04526	0.7
162.05573	0.5
165.05539	1.5
166.96532	0.5
167.01642	0.5
178.02612	0.5
180.04283	0.6
180.98061	0.6
195.06561	0.7
198.12503	0.5
217.10657	0.5
229.10567	0.6
241.00208	14.8
242.00621	0.7
248.09245	32.8
256.99600	1.4
259.01257	5.4
266.19070	0.4
301.10886	0.5
361.12823	0.7
373.07867	2.5
373.15225	0.8
394.05679	4.6
395.06049	0.5
409.08102	100.0
410.08359	9.7
410.14398	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	409.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
61.98822	1.0
62.09404	0.4
64.04488	0.4
71.01378	2.7
71.20920	1.0
73.02943	0.6
79.95735	3.8
80.96506	1.7
83.01376	0.4
85.02944	1.4
87.00880	1.1
89.02433	1.4
92.90752	0.4
96.96004	100.0
97.95972	0.6
97.97922	0.4
101.02438	1.9
113.02418	1.3
119.03493	0.4
119.04996	1.2
121.57198	0.4
135.04514	20.7
138.97041	1.1
150.97041	0.4
152.04817	0.7
161.04561	0.4
166.96545	1.0
190.07967	0.5
215.05359	0.4
222.99089	0.8
241.00208	25.8
242.00542	1.0
248.09264	13.1
277.12723	0.5
349.18527	0.6
409.08041	62.2
409.17001	1.8
410.08304	5.3
410.14325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01375	6.1
61.98819	3.1
69.03452	0.5
71.01383	6.0
72.99309	1.6
73.02953	0.8
75.00854	0.8
79.95728	14.4
80.96511	15.6
83.01390	3.1
85.02954	3.7
87.00870	5.4
89.02435	1.8
94.98080	1.6
95.95258	1.1
96.96004	79.7
97.02978	0.6
99.00882	3.2
101.02422	3.5
103.00393	0.7
111.00870	14.2
113.02445	2.7
115.00367	1.1
120.22832	0.5
120.96005	1.3
120.99660	0.7
122.97601	0.8
127.00344	1.9
129.01930	7.6
129.09109	0.5
130.44241	0.5
135.04501	0.7
136.95509	1.0
136.99133	0.8
138.97066	6.8
150.97063	1.5
152.07121	0.8
152.08972	0.5
154.96553	2.0
159.02960	3.0
164.98460	0.5
166.96541	1.6
167.00114	0.7
177.04053	0.9
180.98047	0.9
182.96082	0.5
187.13406	0.5
192.98082	0.9
205.12305	4.2
210.99168	2.6
216.09608	0.6
230.87233	0.5
238.98630	16.2
240.98300	0.4
241.00214	13.7
256.99710	37.2
258.00046	1.7
289.70383	0.6
313.46243	0.5
409.11673	100.0
410.11972	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	409.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
70.62498	0.7
70.62859	1.6
71.01373	1.0
75.05453	0.6
79.18118	0.5
84.15809	0.5
89.02454	2.7
93.03449	2.0
96.30856	0.5
96.96015	2.2
99.00852	0.9
101.02412	0.7
108.02224	0.6
121.02951	4.1
122.03757	6.6
123.04463	0.9
133.03003	0.7
135.04503	1.8
136.01663	1.8
139.04008	0.8
149.02428	33.3
149.04504	1.7
150.03218	57.7
151.03783	2.8
164.04774	9.1
165.05554	100.0
166.05901	4.1
180.04269	2.1
195.06596	20.9
196.06935	1.1
213.07645	2.5
220.51851	0.5
241.00266	0.7
248.09326	0.8
254.05911	1.0
257.08185	0.9
285.07617	4.7
286.08490	8.2
301.10760	14.8
301.16165	0.6
302.10983	1.0
346.10733	0.7
353.56024	0.5
361.12881	40.7
362.13245	4.5
409.07248	0.5
409.14948	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	409.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
59.98090	0.4
61.98808	0.7
62.21664	0.4
64.95703	0.4
69.24670	3.1
70.82871	0.4
71.01369	1.5
79.95739	5.8
80.96523	0.6
85.02940	0.8
89.02451	0.9
91.77879	0.4
93.03433	2.1
94.80946	0.4
95.95233	3.4
96.96004	23.8
97.02941	0.4
101.02446	1.2
107.77614	0.4
110.97618	0.5
113.02435	0.7
114.64640	0.4
119.03484	0.4
119.05018	8.9
121.02930	2.6
122.03728	9.5
123.04575	0.8
128.03526	0.8
129.65849	0.4
133.02930	1.2
135.04514	10.2
136.01646	1.1
138.97063	1.0
145.02956	1.2
149.02432	13.3
149.03592	0.8
150.03214	65.1
151.03537	2.7
158.44362	0.4
164.04788	3.1
165.05554	100.0
166.05896	4.9
180.04274	3.1
181.04678	0.6
195.06602	38.0
196.06999	2.0
198.99135	0.4
213.07727	0.8
217.10959	0.5
225.00697	1.1
241.00220	1.9
248.09245	12.0
256.99811	0.5
259.01184	0.6
284.86127	0.5
286.08469	1.5
301.10751	1.9
361.12857	5.2
362.13455	0.6
394.05536	2.0
409.08066	27.2
409.16330	1.8
410.08408	2.3
410.14575	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	409.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82112	0.3
59.01398	0.5
65.00316	2.4
68.99846	0.4
71.01382	0.3
75.00878	0.7
75.19504	0.3
78.95899	4.6
79.95720	1.5
80.96535	0.6
81.95378	0.3
84.19401	0.3
85.02984	0.3
86.20135	0.3
87.00910	0.4
95.01387	0.4
96.96002	11.0
96.99350	0.3
98.20621	1.1
98.95599	1.6
110.00091	6.4
110.00813	0.4
111.00900	0.7
113.02460	0.5
123.00912	0.4
136.98801	3.6
137.99637	1.3
138.97081	0.6
139.00415	0.7
151.00427	0.4
153.01953	0.8
161.02353	0.5
164.98251	0.4
165.99048	9.9
175.04010	0.5
183.04669	0.5
185.02417	0.3
187.03957	0.3
199.03915	2.2
202.02826	0.4
203.03465	0.5
211.03978	0.4
213.05493	0.6
215.03455	1.5
216.04153	0.3
217.05009	1.1
218.05699	0.7
219.19714	0.3
227.03465	4.2
229.01385	0.7
229.75589	0.4
230.05772	1.5
241.00211	2.1
241.05064	0.7
242.05843	2.8
243.03075	0.8
243.06210	0.5
244.03830	1.6
246.05258	0.6
253.01443	0.4
257.04776	0.3
258.05264	0.7
261.70584	0.3
270.05200	0.4
271.02454	3.9
281.00958	2.0
285.04044	0.4
286.04782	1.1
299.01944	4.0
313.03537	1.5
313.96652	0.5
314.04294	61.9
315.04590	5.9
329.06622	100.0
330.06949	10.4
330.10983	0.4
408.17401	0.3
408.65247	0.3
409.02469	3.0
409.12323	1.3
409.17755	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
67.28427	0.3
70.99325	0.6
71.01374	2.1
73.02940	0.4
75.39031	0.3
79.95728	3.6
80.96501	3.1
83.01394	0.3
85.02949	0.7
87.00864	0.7
89.02426	0.3
95.95228	0.5
96.96003	100.0
99.00864	0.5
101.02425	0.7
108.02184	0.8
113.02431	0.8
122.97562	0.4
125.02396	0.4
138.20337	0.3
138.97057	8.9
138.98131	0.5
143.03500	0.5
150.03133	0.4
150.97052	0.8
152.01108	1.9
164.98637	0.7
165.05534	0.7
167.03470	3.0
168.98146	0.5
180.98070	0.9
222.99127	2.2
239.05617	0.3
241.00203	47.1
242.00459	2.0
308.85150	0.3
358.85144	0.3
409.04407	39.5
410.04755	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2201
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
52.12465	0.3
54.45915	0.3
59.01349	0.6
61.50355	0.4
70.37046	0.7
70.37436	0.8
78.95897	100.0
96.96957	8.4
139.74522	0.4
150.98009	1.4
152.99574	80.9
153.99913	1.4
171.00624	65.8
172.00961	0.8
187.26198	0.3
217.70441	0.3
325.18454	0.6
404.27655	0.4
407.22064	4.1
408.22311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.2
64.60478	0.5
68.99554	0.4
71.63285	0.9
78.95898	34.2
83.05000	0.6
84.04530	1.4
87.28075	0.4
96.96954	3.7
98.06088	0.6
100.04042	2.3
112.98515	0.5
117.40582	0.4
124.12351	0.4
126.56280	0.5
126.97918	0.4
132.93980	0.4
148.04375	43.7
149.04671	1.3
150.98035	1.0
152.99580	56.6
153.99879	1.4
171.00642	6.9
172.00983	0.6
179.63748	0.5
207.17296	0.5
241.21701	0.6
255.23355	0.6
259.20667	1.3
262.84613	0.5
300.23230	0.5
302.24881	9.1
303.25299	0.7
316.26404	4.1
326.18665	0.9
330.24246	1.3
360.25415	11.0
361.25858	1.2
364.26974	0.7
374.27444	0.5
408.25729	100.0
409.26596	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	409.023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	0.8
65.00047	0.5
65.00312	2.4
67.60497	0.4
69.46172	3.3
71.01393	0.7
72.99334	0.9
73.46078	0.4
75.00928	0.4
76.71796	0.4
78.95889	4.3
79.95766	1.7
80.96532	0.5
96.96000	14.4
98.95631	1.4
99.79248	0.4
102.95656	0.5
110.00088	6.3
111.00918	1.0
113.02505	1.2
123.00909	0.7
136.98798	3.1
137.99615	1.5
139.00383	0.9
151.00392	0.7
152.99643	0.7
153.01990	1.3
164.98355	0.5
165.99051	8.1
185.02534	0.9
187.04002	0.5
199.03979	2.4
202.02739	0.6
213.05475	0.7
214.06169	0.4
215.03531	1.4
216.04131	0.4
217.05028	1.4
218.05833	0.5
227.03493	3.9
229.01274	0.6
229.04921	0.4
230.05820	1.9
241.00226	3.5
241.04921	0.7
242.05801	2.4
243.02995	1.0
243.06192	0.5
244.03751	2.3
253.01407	1.1
255.02917	0.8
257.04575	0.7
270.05164	0.5
271.02438	4.2
272.02682	0.5
281.00961	1.2
285.04077	1.2
286.04660	1.0
299.01880	3.4
313.03452	1.5
314.04288	64.9
315.04617	5.9
329.06616	100.0
330.06955	10.2
330.17517	0.9
342.70224	0.5
382.26056	0.6
409.02310	3.0
409.12576	2.0
409.17355	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	409.0231
Annotation	Ombuin 3-O-sulfate
Peak:m/z	Relative Intensity
59.01411	1.0
65.00365	0.9
70.04491	0.3
70.36829	1.2
71.75568	0.3
96.96020	1.8
110.00111	0.4
124.01656	0.7
133.02985	0.5
136.98787	2.4
148.01726	0.5
150.56641	0.3
151.00429	0.4
152.01207	0.9
164.98279	0.5
178.99847	0.6
183.04510	1.7
185.02470	1.4
199.03984	10.9
200.04266	0.7
201.01912	0.9
201.05579	0.9
211.04057	1.1
213.01903	2.2
227.03500	3.6
231.02983	0.8
243.02911	2.6
253.01361	0.9
255.03012	1.6
271.02448	25.8
272.02725	2.0
281.00876	1.3
283.02457	0.9
285.03821	0.4
299.01953	21.2
300.02335	1.4
313.03561	0.7
314.04300	71.6
315.04660	6.7
329.06625	100.0
330.03378	0.7
330.06989	9.6
409.02283	9.3
410.02701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.6
59.01375	15.6
61.98825	4.6
67.01889	1.1
71.01382	12.8
71.63109	0.9
72.99309	3.3
73.02945	1.7
75.00871	15.7
79.95728	1.4
80.96515	0.9
83.01399	1.3
83.33660	0.5
85.02942	16.5
86.03287	0.7
87.00365	0.9
87.00873	6.7
87.04508	100.0
88.04830	1.5
89.02422	2.7
95.01389	3.6
96.35038	0.5
96.96011	6.7
99.00878	10.2
101.02437	0.7
101.06087	1.2
103.00359	2.6
111.00915	0.8
113.02437	23.3
114.02798	0.6
115.00368	1.2
117.01929	3.7
129.01933	1.2
137.41013	0.5
138.97037	0.6
143.05028	1.3
157.01385	1.7
164.44884	0.6
175.02492	3.3
216.62688	0.5
231.04950	1.1
241.00211	1.1
249.06105	0.9
317.14243	0.6
319.10266	4.2
337.11285	0.8
389.14545	1.4
407.15482	65.2
407.64938	1.7
408.15802	6.6
418.76624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1918
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01847	0.7
57.03449	1.1
58.00583	1.1
59.01376	47.0
61.98824	1.3
71.01380	20.4
71.01749	1.5
72.99291	2.3
73.02960	1.3
79.95734	1.1
80.96541	0.6
83.01373	2.3
85.02957	3.7
87.00886	1.3
87.26589	0.6
89.02436	21.3
95.01372	1.8
96.95988	5.0
101.02441	16.1
109.02950	1.4
111.08176	1.0
113.02444	7.8
114.02723	0.6
119.03490	7.8
129.41127	0.6
134.03703	0.8
138.97086	0.7
159.04395	0.8
165.12816	8.7
179.05511	0.8
183.13882	12.5
202.02689	1.4
209.11778	5.2
225.53418	0.7
227.12871	34.8
228.13170	2.3
241.00264	1.6
245.13983	4.7
389.18192	0.9
407.10168	3.6
407.19159	100.0
408.19495	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	407.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.2
59.01376	22.7
59.77006	1.1
61.98802	2.0
67.01866	1.4
68.99787	3.4
69.03459	7.5
71.01057	1.3
71.01379	15.1
71.04984	3.9
71.63144	1.3
72.99303	8.8
73.02924	2.6
75.00854	1.5
75.93622	1.0
83.01352	3.7
85.02947	27.2
87.00868	9.2
87.04513	2.6
89.02402	3.9
95.01377	1.5
96.00883	2.2
96.95434	1.6
96.96004	21.2
97.02952	17.6
97.06553	3.5
98.02434	1.5
99.00862	14.3
101.02422	4.1
108.02126	1.2
110.02444	2.2
111.00825	3.0
111.08076	1.2
113.02451	5.5
113.03568	1.3
115.04004	10.0
119.03410	1.2
121.02853	3.4
123.04485	2.6
125.02357	1.1
125.09687	1.6
127.11272	1.1
128.03503	1.3
129.01938	18.0
130.08649	4.7
134.03665	2.7
135.04445	2.5
135.08163	1.4
137.02425	2.3
138.09172	1.9
141.01933	8.3
146.03648	2.0
149.02383	1.5
150.03169	3.1
151.04016	2.5
152.01115	5.2
153.08250	1.1
153.09206	12.6
155.07065	1.3
155.52304	1.1
157.08727	1.3
159.02965	2.5
162.09862	1.0
163.07780	1.0
164.01088	1.8
164.03377	1.4
165.01881	1.5
165.05499	3.3
166.02571	3.7
167.03467	6.1
167.08571	1.1
169.08578	1.6
171.10257	54.4
172.10587	3.4
179.03471	8.9
179.07111	1.6
181.05092	5.5
191.05600	14.0
193.04903	2.2
197.08154	6.6
208.64566	1.1
209.06648	5.3
211.05977	2.0
215.09224	40.8
215.12570	1.8
216.09460	2.9
227.12903	1.1
229.05914	1.4
231.07707	1.7
241.00249	1.4
243.03879	2.2
244.04688	2.4
249.05933	1.7
257.05515	3.0
258.06210	1.3
259.07214	7.4
271.07150	3.3
287.10324	9.6
288.08569	1.1
291.09821	1.3
313.08286	17.6
314.08514	2.3
331.09357	10.6
345.10916	1.3
357.11786	1.7
359.11118	4.6
363.16281	4.0
371.09818	5.8
371.18732	1.1
372.10175	1.2
373.13962	7.6
375.08173	3.8
389.09433	1.5
390.16602	3.5
407.10229	21.6
407.15265	100.0
408.11157	2.4
408.15820	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	407.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25313	0.8
58.64090	0.8
59.01374	8.0
61.98513	1.0
61.98828	14.5
62.37481	0.8
68.22446	0.8
70.56917	0.6
71.01358	4.0
71.63220	0.9
72.99309	0.8
73.02930	1.0
78.95901	4.2
79.95730	4.4
80.96503	1.1
85.02946	2.1
87.00864	0.9
89.02437	1.0
96.96004	14.6
98.95580	1.5
99.00889	1.6
101.02461	1.5
105.29252	0.7
105.61752	0.8
108.02151	3.8
109.02947	11.7
111.00929	0.9
113.02431	1.2
119.03465	0.9
119.05006	1.4
121.02999	1.1
129.01953	1.1
136.01645	1.2
137.02448	0.8
145.02908	1.4
146.03735	11.1
147.04510	9.6
151.03918	1.5
158.03728	4.4
159.04495	12.3
173.06099	0.7
174.03227	1.4
175.03986	9.3
211.07619	0.8
219.03011	1.6
225.05630	0.7
225.85834	0.7
239.07037	1.4
240.07826	0.7
241.00221	3.2
251.06964	0.9
252.07961	1.6
256.99796	1.8
267.06567	6.4
268.07367	64.2
269.07678	4.7
283.09729	100.0
284.10052	9.3
294.01645	2.3
327.08673	9.0
328.08997	1.0
352.57855	0.8
356.48489	0.8
371.07681	28.0
372.07938	3.4
406.21472	4.1
407.12689	4.8
407.17456	3.1
407.21927	2.5
407.63177	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	407.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62230	1.1
57.03410	1.8
59.01372	13.9
61.98826	1.3
62.27911	1.2
67.01883	1.4
68.99809	12.2
69.74109	2.4
69.74522	4.8
71.01353	5.2
83.01371	1.2
85.02928	7.1
87.00844	1.7
89.02416	3.2
93.03408	2.6
95.01362	2.4
95.36710	1.1
96.95992	10.8
97.02933	2.1
99.00838	1.6
101.02390	3.4
108.01446	2.1
108.02166	36.8
109.02917	4.2
110.47736	1.4
119.04975	1.6
119.75203	1.2
121.02933	4.5
122.03727	10.2
123.00864	6.2
123.04517	27.5
129.01935	3.5
130.08699	3.1
132.02174	6.1
134.03694	3.9
135.04446	3.7
136.01645	6.8
137.02364	1.4
138.03203	6.1
141.01872	1.8
147.04489	3.4
148.01587	2.4
149.02397	3.2
149.06006	1.3
150.03210	64.4
151.03978	10.4
153.05515	3.1
153.09119	2.7
159.02979	1.3
161.02406	7.7
162.03229	10.2
163.04001	7.0
164.01079	2.9
165.05545	58.9
166.05826	1.7
171.10277	7.7
172.09702	1.3
175.03899	1.4
177.01923	1.8
177.05550	18.4
178.02695	57.8
179.03416	7.1
181.04955	2.0
185.02751	1.7
190.02676	1.9
191.05423	1.7
193.05032	68.2
194.05344	4.7
205.05211	1.4
209.06552	6.2
213.07701	1.8
215.09224	9.0
241.00064	3.6
241.22385	1.2
242.00409	1.5
253.07162	2.6
265.07095	2.4
292.91168	1.3
297.07513	1.5
298.07443	1.2
317.10068	4.1
329.10345	1.9
373.13962	2.6
377.12448	7.6
389.27896	1.5
390.16400	2.1
407.13351	100.0
408.13638	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16457	1.1
59.01373	4.1
59.84145	1.1
61.29594	1.0
61.98824	100.0
63.32549	1.0
71.51465	1.6
74.32249	1.2
75.00870	1.3
75.28419	1.0
90.27111	1.0
94.70467	1.0
96.95977	1.1
110.04670	1.1
129.03798	0.9
131.11279	0.9
195.06030	1.0
312.02603	1.1
325.68768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06602	1.5
51.79879	1.4
55.10837	1.5
59.01374	5.5
61.98825	100.0
64.42585	1.6
66.26935	1.4
69.50314	11.5
71.78323	1.4
78.95914	1.5
90.83839	1.4
96.35105	1.8
96.95995	3.6
96.96951	2.1
98.20671	1.7
107.85378	1.5
110.47983	1.6
115.92033	2.8
129.33765	1.5
251.45853	1.7
254.77643	1.5
265.15237	1.5
273.00653	1.6
384.18234	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.6
59.27607	1.1
60.01732	1.3
61.98824	3.3
69.68270	1.0
71.62195	1.4
72.99297	1.3
75.00875	1.7
75.68046	1.1
78.95918	1.7
79.95750	2.5
87.28615	1.1
96.96027	6.1
128.81004	1.2
133.02992	1.5
141.03424	2.2
152.01158	2.1
157.02934	4.2
169.02939	64.6
170.03253	3.0
171.67178	1.3
197.02435	7.3
199.47601	1.0
209.02429	9.6
218.04782	1.2
225.01904	4.3
241.01326	3.1
246.08293	1.4
253.01326	5.5
269.01022	1.7
297.00412	27.0
298.00708	1.3
312.02744	54.4
313.03055	4.2
327.05063	100.0
328.05487	9.9
362.94061	1.3
369.16354	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66684	0.7
59.01374	6.7
61.98810	2.8
70.82827	1.6
70.83157	0.8
80.96498	0.9
96.95983	2.0
103.42426	0.6
161.04636	0.9
169.02875	0.8
171.04474	0.6
185.02534	1.0
187.03918	0.8
197.02438	2.1
211.03952	5.1
212.04633	5.8
213.01848	2.7
215.03575	1.4
225.01933	1.6
228.04280	2.5
239.03409	0.9
240.04214	1.0
241.01372	3.8
255.02971	1.0
256.03693	4.0
268.00125	8.4
269.00854	5.4
283.02432	14.5
284.02808	1.8
297.00360	8.7
311.01956	5.2
312.02719	66.5
313.02966	6.3
327.05060	100.0
328.05386	9.5
389.20764	3.0
392.73502	0.7
407.00702	5.9
408.01425	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03445	3.6
58.02974	13.4
59.01376	26.6
61.98838	1.6
66.03461	1.5
68.99835	2.4
69.03439	1.7
70.02968	1.3
71.01373	18.3
71.62656	1.5
72.99329	3.7
73.02953	4.0
74.02468	32.3
75.00867	4.0
79.95746	4.1
80.47246	1.5
82.02993	2.5
83.01395	2.3
83.05012	1.4
84.04557	3.7
85.02943	14.2
86.02480	10.5
86.06099	2.0
87.00880	2.0
87.05627	5.8
89.02441	9.8
95.01381	1.9
96.04599	1.5
96.96008	37.7
97.02946	2.4
97.04060	2.4
99.00880	4.7
99.05634	25.2
101.02431	9.1
101.07209	7.0
102.05605	7.2
108.02159	4.3
109.04054	4.9
109.07666	1.4
111.08112	1.8
112.04019	4.0
113.02475	9.3
113.07186	1.6
119.03490	3.2
120.54123	1.4
121.06567	5.6
123.00860	1.4
123.04518	4.5
123.05642	3.0
124.04045	2.3
125.02361	1.5
125.03548	4.3
127.05129	4.4
128.03531	71.3
129.01915	1.9
129.03882	2.7
133.06935	15.5
134.03679	1.5
135.05630	7.5
136.01630	1.8
137.07156	1.7
138.97038	1.7
141.01938	1.6
141.06697	4.1
143.04611	100.0
144.04955	4.2
145.06195	4.6
146.04604	11.9
147.04442	2.8
150.03226	8.8
151.03964	4.8
153.06694	5.9
157.08705	4.4
161.04570	1.9
162.03271	1.8
163.04033	1.5
165.05562	10.9
166.09831	3.7
167.04602	4.3
167.08232	6.4
171.04160	3.1
171.10275	3.1
177.02020	1.8
177.05576	2.4
178.02681	6.2
179.04588	25.2
181.06276	2.0
185.05698	2.8
191.05554	3.9
192.07797	1.5
193.05017	10.6
197.05695	5.0
209.06703	2.7
210.08815	21.1
215.09227	6.3
227.03403	1.8
227.12846	1.9
241.00218	12.0
249.06084	3.4
254.07800	46.0
255.03024	5.4
255.08215	2.4
272.08862	50.0
273.09131	3.3
277.12222	6.8
283.02545	6.8
284.03064	4.2
285.04123	2.9
287.13986	2.3
308.07343	5.3
313.12125	1.6
331.13034	2.7
345.63159	1.4
352.13925	1.6
388.15460	12.2
406.16516	75.9
407.06097	5.9
407.10077	11.1
407.15405	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.4
61.98824	4.2
71.01377	1.4
72.00903	10.7
75.00877	0.8
78.95914	1.1
85.02927	0.6
88.04036	0.5
88.98795	2.7
89.02423	0.7
96.96004	7.4
96.96947	1.1
97.02942	0.5
98.95596	0.5
101.02444	0.9
103.05550	0.6
114.01959	0.8
119.05032	1.4
123.99881	0.5
125.51469	0.5
128.03526	0.5
132.70609	0.5
137.72400	0.5
147.04515	34.6
148.04858	1.9
164.07152	100.0
165.07520	4.3
209.06596	0.8
233.06660	0.7
236.48370	0.5
241.00255	0.5
241.08333	2.2
245.04549	0.9
271.68323	0.5
275.07962	2.9
286.08319	1.2
304.09344	1.4
309.11981	0.8
316.15390	0.6
372.15677	0.8
406.13171	1.1
406.17917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26648	2.1
59.01392	11.2
61.98814	3.3
63.99726	2.4
66.04069	2.3
70.51962	8.2
78.95896	40.8
88.98802	2.9
96.96948	6.9
147.53857	2.3
152.98337	5.2
152.99573	100.0
171.00629	3.1
191.08093	2.4
321.62314	2.3
405.20502	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	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.7
61.98824	7.2
69.93095	2.6
71.31602	5.2
76.46838	2.5
78.95895	62.4
83.25760	2.3
89.37842	2.5
92.92836	3.2
96.96973	9.8
100.71576	2.3
120.31116	2.5
139.88773	2.5
152.99570	100.0
160.90762	2.5
193.74925	3.0
200.28848	2.4
236.80870	2.8
251.20256	3.0
277.06915	2.4
374.27991	2.5
405.20123	6.5
406.21420	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	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	63.6
61.98835	21.6
62.67667	10.2
66.80463	10.7
69.45200	100.0
78.95911	52.0
87.00879	53.4
92.99203	12.8
96.96041	17.1
152.99602	63.1
171.00624	19.8
190.54109	12.4
207.43367	11.6
282.94299	11.0
302.21130	11.3
369.15079	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11630	9.5
52.33584	11.3
59.01376	100.0
61.98819	35.1
67.10464	11.6
68.37521	10.7
69.88396	52.7
78.95899	51.5
98.20596	14.4
99.90795	10.9
102.05666	20.0
107.75175	10.4
118.95347	10.7
145.06590	12.6
152.99568	54.8
171.00620	34.4
334.68915	11.3
336.19125	11.7
353.95081	11.5
365.02133	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11630	9.5
52.33584	11.3
59.01376	100.0
61.98819	35.1
67.10464	11.6
68.37521	10.7
69.88396	52.7
78.95899	51.5
98.20596	14.4
99.90795	10.9
102.05666	20.0
107.75175	10.4
118.95347	10.7
145.06590	12.6
152.99568	54.8
171.00620	34.4
334.68915	11.3
336.19125	11.7
353.95081	11.5
365.02133	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08622	0.8
57.03444	0.9
59.01378	8.0
59.21927	0.8
60.52045	0.7
60.88544	0.7
61.98822	2.9
63.63363	0.8
66.32054	0.8
71.01370	2.9
71.62862	1.1
72.99284	1.5
73.02939	2.0
75.00861	1.2
79.95715	1.5
83.05038	0.7
85.02946	0.8
86.76714	0.8
93.03458	5.1
95.05003	0.8
96.96011	5.3
101.02441	1.6
105.03439	1.1
108.63230	0.8
113.02449	1.5
121.02957	7.9
122.03729	11.2
124.01653	1.2
133.02931	1.5
134.03700	1.2
136.01601	1.0
137.02376	1.3
149.02434	41.3
150.03215	87.5
151.03712	3.5
161.02437	6.7
164.04790	9.2
165.05554	100.0
165.55672	0.8
166.05920	3.9
175.07639	1.9
176.04816	4.4
179.03490	10.9
180.04242	6.2
191.07095	1.3
193.04932	1.2
194.05849	9.6
195.06602	56.4
196.06938	2.8
209.08159	20.8
210.08469	1.7
236.70483	0.8
242.23309	0.8
269.90497	0.8
313.10779	1.3
324.67682	1.1
342.11194	3.9
357.13379	28.8
358.13699	2.6
405.20807	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	405.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03446	3.6
58.00587	3.5
59.01376	96.6
60.01713	1.5
61.98826	34.6
69.03439	1.3
69.43176	10.1
71.01378	55.6
72.99310	4.6
73.02948	11.6
74.05553	1.2
75.00856	2.4
79.95719	3.5
83.01379	5.8
85.02953	11.8
87.00890	4.6
89.02439	59.1
93.03459	5.2
94.03847	1.8
95.01395	4.1
95.95267	1.3
96.95995	15.2
97.02974	1.8
98.19815	2.1
99.00883	2.8
101.01767	2.0
101.02438	39.2
111.08155	1.7
113.02439	22.4
119.03495	26.0
120.03872	1.2
130.08688	1.6
131.03520	1.9
135.04530	2.0
137.02426	7.8
138.02800	3.9
143.03470	4.8
149.04532	1.8
157.08696	3.2
159.03021	2.0
161.04608	5.7
163.11287	12.2
165.12816	3.5
169.12308	1.5
179.05615	12.9
181.12332	49.1
182.12672	1.8
191.05659	1.3
213.11360	3.1
221.06519	1.3
225.11304	100.0
226.11674	7.0
231.12468	1.5
243.12386	1.4
243.15958	4.3
246.91937	1.6
311.10370	3.5
329.11353	3.3
361.14948	5.0
369.15134	1.4
405.17447	43.9
405.21417	31.2
406.17926	5.0
406.21912	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	405.2123
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
57.03428	2.0
58.00582	3.8
59.01376	100.0
61.98832	13.2
67.01884	1.6
68.53696	1.4
69.03433	1.6
69.47978	3.5
69.48406	7.2
71.00986	3.1
71.01378	61.0
72.99300	13.8
73.02958	8.5
75.00872	9.6
78.95927	1.5
79.95731	10.9
80.96497	2.5
83.01389	4.3
85.02949	15.1
87.00858	2.9
89.02439	67.5
95.01363	4.8
95.95211	2.7
96.96008	46.5
98.95592	2.8
99.00856	4.6
101.02436	43.3
103.00337	1.9
111.00909	1.5
113.02441	25.7
114.02816	1.4
119.03497	33.5
125.02507	1.6
130.99881	1.9
131.03493	2.8
137.64891	1.3
143.03494	3.8
149.04533	3.4
150.58418	1.5
151.00327	2.4
155.14432	1.6
161.04561	7.1
163.14914	70.1
164.15176	3.7
166.02689	5.0
179.05609	11.9
181.05084	7.9
181.16052	2.2
199.13332	5.9
213.48387	1.4
223.19370	1.4
225.14890	2.9
241.00217	6.3
324.69473	3.9
361.60727	1.8
382.61176	4.9
382.70074	1.9
383.11264	2.3
383.61285	1.3
404.69452	3.9
405.08243	5.2
405.13150	15.4
405.21222	97.2
406.13013	1.7
406.21710	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	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.4
58.00581	5.1
59.01377	67.9
60.99286	1.2
61.98822	9.5
65.67542	1.2
70.88934	3.5
71.01379	53.3
72.99299	5.9
73.02930	4.0
75.00842	2.1
78.95896	3.9
83.01382	2.8
85.02946	11.4
87.00878	7.8
88.98782	8.3
89.02439	68.5
90.02704	1.2
95.01373	3.4
96.96004	11.5
96.96946	3.0
101.02435	31.2
113.02442	23.9
119.03500	27.5
119.04994	3.5
120.90459	1.3
120.99659	1.6
121.02924	5.0
123.00876	2.9
131.03477	3.1
131.04359	1.4
134.03699	3.8
135.04518	24.7
137.02438	2.0
138.03212	2.9
143.03479	3.7
149.02435	16.9
149.04439	2.5
153.05617	2.9
161.04512	4.0
165.01965	1.8
165.05476	3.6
177.01915	100.0
178.02234	6.1
179.03438	1.5
179.05566	8.7
184.98450	1.3
191.03458	2.4
192.04271	52.7
193.04590	3.0
195.02980	6.3
195.06581	1.5
207.06604	15.0
210.05307	8.1
225.07678	14.8
228.98692	1.3
241.00171	2.0
257.26901	1.4
297.09659	5.8
314.72498	1.4
315.07257	2.0
369.14005	1.8
387.12875	9.9
389.78372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55187	2.7
57.03432	4.6
59.01092	5.5
59.01377	100.0
61.98821	9.2
68.99796	4.0
69.36450	26.2
71.01377	53.9
72.99300	4.9
73.02944	66.1
83.01389	14.2
85.02937	21.9
87.00900	6.2
87.04516	3.0
89.02445	20.3
96.96000	32.3
97.02943	6.4
98.95600	13.4
99.00851	6.7
101.02436	36.8
113.02431	13.8
115.04040	3.2
119.03493	7.3
121.03031	4.3
125.02477	3.4
129.01962	6.2
139.07649	19.4
141.01950	3.8
143.04636	5.1
149.02397	8.9
150.03212	25.2
157.08727	3.2
161.04564	8.6
164.04771	4.5
165.05525	26.8
177.03394	3.2
179.03455	4.8
183.10245	5.1
191.05550	6.3
195.06593	15.9
209.06516	5.5
209.08264	4.7
211.06044	6.7
213.11252	9.5
225.11278	3.7
228.06680	2.9
229.09621	2.9
245.06432	3.4
267.07855	4.1
281.09344	20.6
283.11032	3.7
285.12433	8.5
293.09351	7.6
295.07068	5.4
296.07986	9.7
301.12851	11.6
311.10339	67.1
312.10501	7.8
319.13895	20.2
329.11234	22.1
357.13217	4.9
361.14975	81.6
362.15244	9.5
373.10245	6.7
405.08380	9.6
405.12729	21.3
405.17606	59.2
406.17932	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	404.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76907	1.4
59.01374	16.7
62.18454	1.4
69.25072	12.4
69.25478	3.6
70.47250	1.5
71.01385	15.4
72.99301	9.4
73.02946	2.0
75.00864	27.7
79.95737	11.9
80.96508	3.4
85.02954	14.9
87.00873	9.5
89.02467	3.3
95.01376	2.5
95.95213	10.2
96.96007	100.0
99.00874	9.3
101.02431	4.2
103.00359	1.9
113.02458	16.8
115.00378	2.3
117.01922	3.7
121.02125	3.0
121.02956	42.6
122.03350	3.6
129.01949	2.7
138.97104	3.7
147.80495	1.6
150.65962	1.4
150.97044	2.1
155.76813	1.7
175.03951	1.7
177.04027	2.0
227.07585	36.1
227.57817	4.9
241.00246	5.6
242.00462	1.8
256.99640	6.6
339.07669	1.8
375.20346	3.9
404.12253	28.4
404.62390	9.6
405.15439	20.2
405.20166	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	405.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45244	0.4
59.01375	1.8
60.21983	0.4
61.98826	100.0
64.26943	0.4
65.76880	0.4
69.75340	1.7
71.01385	0.4
72.99305	0.4
75.00884	0.9
77.94119	0.4
79.95721	0.8
96.96005	5.8
110.11564	0.4
114.64862	0.3
150.89043	0.4
188.88144	0.4
202.26256	0.4
241.00314	0.6
256.84473	0.4
256.99869	0.5
382.61343	1.3
404.64285	0.5
405.12161	3.2
405.21121	0.7
406.12292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70836	1.5
55.01897	1.5
58.00588	4.5
59.01376	80.3
60.99300	5.1
61.98822	11.6
63.88861	1.4
69.62637	1.5
70.81171	4.6
71.01379	56.5
72.99319	3.7
73.02950	1.7
78.95879	2.9
83.01403	3.0
85.02957	9.5
85.05914	1.4
87.00872	10.1
88.98806	38.7
89.02444	80.1
93.03487	1.7
95.01386	2.7
96.96005	8.2
101.02437	25.9
108.02171	6.9
109.02917	2.2
113.02443	23.4
119.03497	33.8
119.04946	2.9
121.02946	3.9
126.72836	1.6
127.33821	1.4
131.03484	3.7
135.04514	2.4
137.02440	2.1
143.03455	3.6
149.02420	17.9
149.04526	2.6
152.01132	8.8
153.01976	3.1
153.05539	1.9
157.19832	1.7
160.01617	2.4
161.04570	2.9
177.01917	100.0
178.02332	4.7
179.05617	13.8
192.04279	50.0
193.04736	3.1
195.02950	5.1
207.06642	11.6
210.05292	6.1
225.07637	11.9
254.50214	1.5
306.06952	1.4
315.07147	12.6
387.12952	11.8
405.04916	2.4
405.17828	2.5
406.16910	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	403.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15500	12.1
59.01372	100.0
60.81814	10.7
61.98817	41.8
70.24474	46.9
78.95903	24.0
87.07712	10.3
328.24680	12.9
411.44885	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	403.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65193	13.7
59.01374	100.0
61.98821	46.0
71.04510	15.7
71.41747	18.4
75.00860	31.7
81.08694	15.5
81.57544	15.8
87.00883	60.1
109.48530	15.5
121.02956	51.8
126.32700	15.3
144.74069	14.4
278.11166	16.9
290.56305	15.9
330.05527	38.6
388.05817	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24884	0.7
59.01376	100.0
60.01720	1.2
61.98815	2.2
69.03414	0.7
71.01389	1.3
71.31315	1.3
72.99299	5.0
75.00865	10.5
88.79831	0.8
92.92804	4.8
96.96009	1.2
99.00850	0.8
113.02491	0.8
115.00402	1.0
116.98299	1.2
126.90350	1.4
156.80722	0.7
323.18616	7.9
323.68912	1.7
352.18918	1.8
381.19284	2.3
403.28897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78717	2.5
56.61341	2.3
59.01376	100.0
61.98825	6.4
71.63128	3.8
75.51013	2.4
90.96490	2.3
100.41669	2.6
109.71719	2.3
163.99464	2.4
207.45000	2.6
244.60751	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	403.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01377	73.0
59.72134	0.3
60.01719	0.8
60.99317	0.6
61.98820	2.1
62.48035	0.3
71.01385	1.2
71.09096	0.6
72.99300	4.9
73.76040	0.3
73.98324	0.7
75.00872	6.9
78.13466	0.3
81.61047	0.3
85.02950	1.5
87.00882	1.0
96.96027	0.7
103.00377	1.1
113.02415	0.6
115.00368	0.5
116.98245	0.4
125.09756	0.9
127.11275	2.6
130.91324	0.4
130.99838	2.2
133.01419	0.4
141.01724	0.3
155.10812	2.1
155.14406	1.5
157.12328	5.9
163.17325	0.4
181.15944	2.0
183.13878	7.4
184.14249	0.6
185.11755	0.8
185.15453	0.5
187.09822	0.5
187.13397	4.0
199.16899	0.4
211.17044	0.6
213.14935	2.4
245.63451	0.4
260.94580	0.4
277.25320	0.5
322.67874	0.4
323.18536	2.3
323.68695	1.0
329.23215	0.9
339.29028	1.4
341.26941	5.1
342.27356	0.5
343.28452	4.9
344.28976	0.5
381.19049	1.1
381.69406	0.4
385.29608	2.6
403.30603	100.0
404.17572	2.3
404.30966	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	404.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76907	1.4
59.01374	16.7
62.18454	1.4
69.25072	12.4
69.25478	3.6
70.47250	1.5
71.01385	15.4
72.99301	9.4
73.02946	2.0
75.00864	27.7
79.95737	11.9
80.96508	3.4
85.02954	14.9
87.00873	9.5
89.02467	3.3
95.01376	2.5
95.95213	10.2
96.96007	100.0
99.00874	9.3
101.02431	4.2
103.00359	1.9
113.02458	16.8
115.00378	2.3
117.01922	3.7
121.02125	3.0
121.02956	42.6
122.03350	3.6
129.01949	2.7
138.97104	3.7
147.80495	1.6
150.65962	1.4
150.97044	2.1
155.76813	1.7
175.03951	1.7
177.04027	2.0
227.07585	36.1
227.57817	4.9
241.00246	5.6
242.00462	1.8
256.99640	6.6
339.07669	1.8
375.20346	3.9
404.12253	28.4
404.62390	9.6
405.15439	20.2
405.20166	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	403.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.41295	0.7
55.52436	0.6
56.07027	0.5
57.03447	0.9
58.00584	1.6
59.01374	100.0
61.38506	0.5
69.03464	1.4
69.30715	4.6
71.01376	49.0
72.01722	0.9
72.77192	0.6
72.80755	0.6
72.99300	3.4
73.02941	73.3
74.03283	1.2
75.00868	5.1
79.95742	2.3
80.96530	0.8
81.03419	1.0
83.01380	22.6
85.02958	4.8
87.00882	1.7
89.02442	9.1
93.03445	6.0
95.01394	1.1
96.96004	6.6
97.02953	1.4
97.06551	0.6
98.20568	1.3
99.00885	1.2
101.02435	58.1
102.02785	1.6
113.02438	12.4
116.18656	0.5
117.01952	1.0
118.06503	0.5
119.03509	4.1
121.02940	2.6
124.67714	0.5
125.02470	2.7
125.09729	1.0
131.03491	4.5
137.02434	10.8
143.03494	4.5
149.04536	4.4
155.03522	2.5
161.04539	11.4
161.05849	0.9
181.12320	55.8
182.12639	2.8
203.05644	0.7
221.06654	0.9
227.07552	2.7
241.00258	0.7
403.19446	2.8
404.12424	1.2
417.72247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	77.0
61.00072	20.8
61.22252	21.5
61.98835	100.0
66.42660	20.8
75.00860	44.7
92.91872	20.9
139.39113	20.8
153.77010	20.9
308.41977	22.9
323.18640	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28651	1.0
57.03434	1.6
58.00591	4.1
59.01376	70.8
60.01719	0.9
61.98811	1.2
62.58891	0.8
71.01379	39.7
71.08118	2.2
72.99307	3.1
73.02946	1.2
79.95741	0.9
83.01372	1.9
85.02941	8.3
87.00864	2.9
89.02441	48.5
90.02763	1.1
95.01382	2.9
96.95998	4.3
97.24359	0.8
99.04516	5.1
101.02440	21.6
107.13268	0.9
110.78205	0.8
111.04492	1.9
113.02446	17.0
114.02772	1.2
119.03497	20.6
124.05265	2.4
131.03520	2.2
135.11789	6.3
136.12105	1.0
143.03473	3.8
149.04567	2.7
160.04057	1.0
161.04518	3.5
161.09708	2.2
167.10910	0.9
179.05597	8.1
179.10762	41.2
180.11092	3.3
183.52963	0.9
188.03554	1.6
198.99937	0.8
220.06084	3.4
223.09735	100.0
224.10085	8.8
251.38120	0.9
252.34036	1.0
285.81778	1.0
403.10822	1.3
403.15860	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	403.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31924	1.0
58.00591	2.2
59.01373	79.8
60.01701	1.5
61.98826	1.3
67.05531	2.0
71.01375	41.2
72.99319	3.7
74.20622	1.3
83.01400	1.8
85.02954	8.8
87.00858	2.6
87.04504	1.7
89.02434	52.3
90.02758	1.3
95.01391	2.9
96.95996	9.2
98.95616	3.0
99.00821	1.8
99.04509	4.5
101.02435	21.9
111.04522	2.5
113.02438	17.1
116.07176	2.2
119.03493	19.6
124.05290	1.8
131.03503	2.6
133.10255	1.5
135.11783	4.1
143.03477	3.6
148.05266	2.4
149.04501	2.7
161.04539	2.8
161.09720	1.6
174.29370	1.4
179.05600	10.0
179.10748	40.9
180.11121	2.3
189.55705	1.3
193.05130	1.6
198.21170	1.5
199.15854	1.3
205.08725	1.9
223.09737	100.0
224.10042	6.7
256.99652	2.1
403.05530	2.6
403.10013	2.2
403.15491	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	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
56.42113	0.8
57.03447	2.3
58.00588	1.9
59.01377	87.1
60.01699	0.9
61.98840	1.4
68.99800	1.1
69.03468	2.5
71.01382	24.3
71.16576	1.9
72.99312	2.0
73.02949	1.4
76.10843	0.8
83.01395	3.7
85.02951	8.6
87.00875	1.0
89.02439	23.5
95.01401	2.8
96.96018	5.0
99.00883	2.8
101.02435	15.7
108.02163	2.1
109.02982	2.1
109.06631	1.1
111.00887	2.4
113.02445	11.0
114.02811	1.3
115.03995	1.0
119.03590	8.5
119.05016	39.8
123.00878	9.7
127.00432	1.9
129.01950	4.5
134.03740	2.6
136.01657	8.2
136.98781	1.1
137.02437	1.9
138.03244	5.8
139.00349	5.2
139.04001	1.4
141.01978	1.4
143.03473	1.0
143.08684	1.0
145.06564	0.9
149.09711	13.6
151.00467	0.9
151.03987	14.3
153.05565	2.4
161.04475	1.2
161.08379	1.2
161.09697	17.5
165.01939	5.6
167.03500	0.9
179.05670	1.1
179.07254	1.3
179.10750	16.5
180.04311	3.3
188.07207	1.5
191.05627	5.0
193.01399	14.2
193.05090	2.0
194.01970	1.0
195.06773	1.0
207.03029	1.4
208.03741	26.4
209.04053	1.4
209.06572	4.1
211.06078	5.6
218.02550	1.0
223.06093	67.7
224.06502	4.5
239.80038	1.0
241.10776	1.0
296.82791	0.9
300.18988	0.7
301.28635	1.0
359.09125	1.7
368.13440	17.8
385.11374	2.7
403.16260	100.0
404.12177	1.2
404.16617	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	403.1606
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03439	1.6
58.00580	3.3
59.01375	66.7
60.01695	1.1
61.98812	1.0
62.87294	0.7
67.05504	1.2
68.99780	0.9
69.03433	1.3
71.01379	38.2
72.99305	4.8
73.02914	1.2
79.95745	1.8
83.01396	2.1
85.02950	7.2
87.00893	2.1
89.02439	41.4
95.01373	3.8
96.96002	5.0
99.04499	4.1
101.02436	20.0
108.02181	1.9
113.01702	1.1
113.02442	13.7
116.48027	0.8
119.02636	1.1
119.03487	17.6
123.00832	1.1
123.04481	2.5
124.05267	1.4
129.27834	1.0
129.66592	0.9
131.03474	1.8
131.96536	0.9
133.10175	1.0
134.03767	1.0
135.11772	5.8
138.03189	2.4
141.16187	0.8
143.03491	2.2
149.04495	1.2
150.03194	1.2
151.03989	1.3
161.02422	2.3
161.04515	3.0
161.09656	2.8
162.03159	1.6
174.93275	0.9
177.05499	3.6
178.02702	3.1
179.03397	1.4
179.05635	6.9
179.10756	53.8
180.11049	3.8
181.04733	0.8
193.04987	5.4
194.05754	2.5
209.08212	1.8
223.09741	100.0
223.13312	2.9
224.10020	8.8
253.06160	1.0
283.10803	2.5
327.09796	2.5
348.24725	1.1
371.08710	2.2
373.12943	0.9
390.51367	0.9
395.77679	1.0
403.11536	2.5
403.15866	36.0
404.16165	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	403.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70370	0.8
55.01892	1.0
56.88953	0.9
57.03446	2.1
58.00589	1.6
59.01377	46.1
61.98820	3.9
69.78825	1.6
69.79226	3.6
71.00984	1.8
71.01380	30.8
71.88239	1.0
72.99313	7.8
73.02952	2.2
79.82316	0.8
79.95744	1.9
80.96509	0.9
83.01377	1.8
85.02950	9.5
87.00861	2.8
89.02439	30.1
90.02785	1.0
91.11497	0.8
93.03448	1.3
95.01405	1.3
96.96020	6.1
97.02938	1.8
99.00891	1.5
99.04504	2.7
101.02441	15.8
113.02448	10.4
119.03506	11.5
124.05268	1.3
129.01950	1.0
134.03728	6.7
135.11774	3.8
137.02402	2.1
141.01932	1.1
143.03485	2.0
147.27220	1.0
149.04576	2.0
149.06070	2.4
159.02933	0.8
160.01636	1.3
161.04488	2.1
161.09708	3.8
175.03935	3.6
176.98228	0.9
179.05594	5.2
179.10759	40.3
180.11087	3.5
184.60541	0.8
193.05055	6.5
223.09731	100.0
223.13310	2.8
224.10078	8.0
233.08226	1.0
235.06085	1.2
241.00188	1.2
279.80008	0.9
320.36465	0.8
335.07712	1.6
343.17651	1.1
367.10120	3.9
388.11191	1.8
402.64001	0.9
403.15866	22.2
403.19876	12.6
404.12958	1.8
404.20425	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	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.7
58.00593	1.6
59.01377	97.2
59.91259	1.0
59.98820	1.1
60.01717	2.1
61.98833	3.4
67.01901	1.3
68.99825	1.4
69.03464	3.1
71.00777	3.1
71.01376	30.8
72.01748	1.3
72.99332	4.1
73.02949	2.2
83.01393	4.7
85.02949	18.1
87.00897	4.9
89.02443	27.7
89.02991	1.6
93.41402	1.2
95.01395	4.2
96.96012	8.0
97.02989	3.6
99.00903	4.4
101.02442	19.9
108.02164	2.7
109.03000	2.1
110.34772	1.0
111.00906	3.1
113.02443	11.4
115.04047	3.1
119.03555	12.8
119.05020	38.2
121.02975	1.4
123.00884	14.3
124.78003	1.0
127.00361	2.8
127.21318	1.0
129.01939	9.1
134.03738	5.6
135.04506	1.4
136.01660	18.5
136.02608	1.7
136.98833	2.2
137.02420	2.2
138.03210	7.8
139.00386	8.8
139.04028	2.9
141.01987	1.8
149.02515	1.4
149.09715	13.8
151.03999	32.5
152.01167	3.0
152.04619	1.5
153.05603	3.4
154.02789	1.8
159.03062	1.9
161.08389	2.3
161.09708	16.1
162.10117	1.8
163.07619	1.0
164.64279	1.0
165.01900	10.2
165.02995	1.1
167.03535	1.9
179.03587	2.4
179.10793	15.8
180.04333	4.0
181.08664	1.0
191.05621	9.2
193.01402	18.0
193.05086	5.3
195.06573	1.7
206.08342	1.1
207.03008	1.4
208.03758	34.9
208.05704	1.9
209.04260	3.3
209.06711	8.4
211.06056	16.6
223.06100	87.5
224.06429	5.4
251.07738	2.2
261.80347	1.1
359.09317	2.4
368.13409	15.6
385.11346	6.3
393.01434	1.2
403.12442	9.5
403.16354	100.0
404.16696	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	403.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
58.00613	0.4
59.01374	7.8
59.64314	0.4
61.98821	1.3
69.94727	1.5
69.95135	0.7
71.01376	4.6
72.99307	1.1
73.02937	1.8
79.95737	4.0
80.96508	2.1
82.31033	0.3
83.01357	0.7
85.02933	2.7
87.00869	0.9
87.04533	0.4
89.02441	2.2
95.95224	0.9
96.96001	100.0
97.02923	0.6
97.95950	0.7
98.95583	0.7
99.00860	0.9
101.02438	2.6
105.57349	0.4
109.02946	1.2
110.03326	0.5
113.02432	1.2
119.03506	0.9
122.97592	1.4
123.08131	0.5
129.01910	0.8
138.97063	1.7
149.06015	0.3
150.97058	1.9
153.01909	1.0
160.04051	0.8
164.98613	0.8
179.05518	0.5
180.98116	1.3
188.03488	0.9
209.06598	1.1
214.91411	0.4
220.06059	2.6
241.00255	4.3
241.10895	0.6
325.10373	0.5
353.21527	0.5
373.36325	0.4
403.12680	99.4
404.13089	9.9
404.17651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	2.5
59.01376	66.7
61.98812	6.6
67.68578	1.8
69.03490	1.8
69.71697	8.1
69.72112	3.9
71.01379	28.3
71.05029	3.4
72.99308	2.4
73.02954	2.2
74.02446	3.3
75.00877	2.8
79.95734	4.7
80.96509	5.8
83.01382	2.4
85.02962	11.0
87.00870	4.5
87.04496	3.3
89.02443	36.1
94.30096	2.1
96.96008	51.3
97.99328	2.0
99.04518	14.8
99.05664	1.7
99.15487	2.0
101.02435	18.3
109.02978	8.9
111.83620	1.7
113.02455	15.1
113.50233	1.8
113.63394	1.8
115.04015	11.9
115.30614	2.0
117.05557	6.5
119.03483	16.6
128.03543	3.7
135.03001	2.5
138.97070	22.0
140.12108	2.1
143.03564	2.1
143.04640	6.5
161.04486	2.9
161.08203	85.9
162.08519	2.9
179.10724	4.2
181.05067	3.2
197.11751	3.6
211.09592	2.2
241.00241	21.3
241.10739	3.2
252.75832	2.1
259.01297	21.6
272.08783	2.8
282.84293	1.8
306.07520	8.8
319.54776	1.8
323.13419	24.3
328.54202	1.9
341.09253	2.9
367.16174	9.3
385.08179	3.0
403.09052	100.0
403.15747	17.6
404.09399	8.5
404.15802	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	402.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49033	3.5
59.01369	17.4
61.98826	100.0
69.38667	22.3
69.39070	8.9
96.96008	3.9
99.51060	3.4
130.08669	5.4
157.17245	3.4
163.11331	5.1
176.88783	3.9
282.60886	4.0
284.51846	5.4
294.81671	3.9
339.23343	4.9
403.35693	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	402.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.5
60.97529	2.0
61.98822	1.9
63.96218	4.4
71.58514	1.7
72.00885	11.1
73.52598	1.0
74.02465	4.4
76.97016	3.4
77.00657	2.5
79.95718	3.9
86.00691	5.4
91.78145	1.0
100.00393	1.5
100.04045	2.6
106.09079	1.1
121.03014	1.2
136.20227	1.0
164.03859	20.4
237.22220	6.7
254.24860	3.6
267.26837	1.6
280.26367	9.3
281.26541	1.7
282.24332	4.3
294.27972	38.2
295.28204	2.8
324.23511	2.2
338.27112	6.7
358.12341	1.2
387.24460	4.1
399.50034	1.1
402.26743	100.0
403.27002	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	403.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78173	1.3
55.01835	1.3
57.03420	1.2
58.00593	1.6
59.01374	59.0
61.75519	1.4
61.85435	1.1
61.98823	7.1
66.38831	1.2
71.01380	28.9
71.05016	3.1
72.99312	3.5
73.02949	2.7
73.42000	1.3
74.02481	3.0
75.00862	2.7
79.95737	5.5
80.96508	5.6
83.01386	1.4
85.02950	6.6
87.00876	3.4
87.04517	2.3
89.02438	28.0
95.01373	2.1
96.96009	42.7
99.04505	13.3
99.05604	1.8
101.02434	20.3
109.02950	5.7
113.02454	13.5
115.04002	12.0
117.04869	1.2
117.05547	7.1
119.03521	12.7
120.01229	1.3
128.03532	4.0
135.03018	1.4
135.08177	1.8
138.97067	24.3
143.03542	1.6
143.04620	4.8
143.07109	2.1
147.51958	1.3
149.02258	1.3
149.04514	1.3
151.00394	1.8
153.01900	2.1
160.00745	1.8
161.04527	3.4
161.08188	76.0
162.02327	1.4
162.08528	3.0
179.10699	1.4
181.05103	1.7
197.11862	1.7
223.09717	1.7
229.34563	1.5
241.00162	19.1
241.05130	1.4
241.10762	2.7
254.07748	1.7
259.01251	17.3
272.08844	2.8
306.07614	8.5
323.13443	24.0
324.13858	2.1
331.77899	1.4
341.09088	3.6
341.46457	1.2
357.08664	1.7
359.17407	1.3
367.16147	4.4
385.08444	2.4
391.05603	1.3
403.09061	100.0
403.15775	18.4
404.09439	10.9
404.15988	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	403.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	1.0
59.01374	31.7
59.17994	0.9
62.22676	0.8
69.27407	7.2
71.00989	1.3
71.01378	18.7
71.05010	4.1
72.99317	1.3
73.02913	0.9
78.90778	0.7
79.95724	4.4
80.96516	4.9
83.01396	1.0
83.20762	0.9
85.02930	4.3
87.00887	1.1
87.04508	1.7
89.02440	17.7
95.01344	1.0
96.96003	35.6
98.19900	1.8
99.04517	12.7
99.08132	2.3
101.02432	11.4
113.02446	9.6
115.04012	9.2
115.07645	1.8
117.05547	6.5
119.03497	8.4
128.03520	3.5
138.97060	21.0
143.03590	1.1
143.04581	4.1
143.07103	1.7
150.97012	0.7
160.00684	1.7
161.08179	79.2
162.08501	2.2
186.45033	0.8
197.08177	1.3
241.00179	20.2
259.01248	19.2
272.08813	1.5
306.07617	6.3
323.13434	23.4
324.13727	2.0
341.09039	2.3
385.08026	2.5
403.09070	100.0
404.09332	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	403.1243
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
51.35108	1.5
57.03445	1.9
59.01374	100.0
61.98828	6.1
65.06146	1.6
69.03475	2.2
69.69358	9.2
70.46474	1.4
71.01374	24.2
72.99302	7.0
74.97943	1.6
82.28213	1.5
83.01382	3.2
85.02949	11.0
87.00853	1.8
89.02425	16.2
91.22668	1.5
93.03428	1.6
95.01392	7.3
96.95996	15.5
97.02935	2.3
98.20638	1.9
101.02439	15.0
107.48576	1.5
108.02191	3.8
109.02932	2.9
111.00845	3.1
113.02462	9.9
119.02715	1.6
119.03534	7.7
119.05000	25.1
121.03000	2.0
123.00874	93.1
123.04483	2.5
124.00993	1.8
124.01685	22.3
128.03535	2.0
129.01933	5.4
134.03735	2.0
136.01656	6.0
136.98761	2.0
137.02400	3.7
138.03223	57.3
139.00372	3.9
139.04013	67.2
140.04381	1.8
143.03500	1.5
149.02415	5.1
149.09668	9.3
151.03992	15.3
152.01123	1.9
152.04845	2.2
153.01892	1.5
161.04590	2.8
161.08333	2.7
161.09708	14.4
164.04762	1.9
165.01871	5.6
165.05626	2.0
179.03548	1.9
179.05580	1.8
179.07149	2.2
179.10756	9.3
180.04190	2.9
181.05026	4.9
188.07323	1.8
191.05580	4.1
193.01357	12.1
193.05042	4.6
195.06612	2.3
203.05615	4.4
208.03726	20.3
209.06590	3.4
211.06078	7.1
217.79567	1.4
220.88609	1.7
223.06078	54.2
224.06453	3.3
225.80151	1.7
241.00156	5.6
241.07014	8.1
283.08292	2.2
343.10275	17.3
368.13336	11.2
384.08847	2.0
385.11264	2.2
403.12354	11.2
403.16501	59.4
404.16632	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	402.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06370	0.4
58.02985	0.4
59.01376	4.4
61.98827	100.0
71.01381	2.1
71.61014	0.6
71.61440	0.6
73.02943	0.9
74.02474	0.7
75.00883	0.4
78.95907	1.5
83.01369	0.5
85.02942	1.0
85.68579	0.4
87.00871	4.9
88.01218	0.7
88.98809	0.6
89.02449	1.5
96.00904	0.4
96.96005	7.7
96.96986	1.1
99.00896	0.4
101.02438	1.0
101.07062	0.4
108.02206	0.7
110.02438	0.4
110.03253	0.3
110.98534	0.4
113.02441	0.9
119.50258	0.4
120.01260	0.4
123.00885	1.0
123.04514	1.1
124.04874	0.4
128.03592	0.5
139.04018	0.6
142.05099	0.8
142.55650	0.4
149.09691	0.4
153.05583	1.8
154.05917	0.5
161.04565	0.4
161.09792	0.6
164.04764	0.8
165.05229	1.2
166.02733	0.9
167.03012	0.5
179.03500	1.0
179.05748	0.4
179.07144	2.0
180.03790	0.5
180.07480	2.0
182.05341	0.4
194.05583	0.8
195.06224	0.6
209.08220	0.6
210.08545	1.1
214.50861	0.4
223.06134	0.9
241.00204	0.9
255.18797	0.5
265.07199	1.8
266.07437	7.0
267.07455	0.5
270.10825	0.4
278.58771	0.4
326.09619	1.6
330.75751	0.4
358.08710	0.5
367.12512	0.6
402.11136	7.4
402.19940	0.8
403.10382	1.5
403.16284	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	401.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86189	1.5
59.01377	100.0
61.31367	1.6
61.98818	3.2
66.66596	1.3
69.06628	1.4
69.40612	1.3
69.60065	5.5
69.60488	5.0
101.01458	1.5
121.02962	4.7
339.77936	2.0
342.01596	1.5
401.08981	2.2
401.29736	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	401.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73315	1.4
56.19802	1.2
59.01377	100.0
61.75013	1.2
61.98821	3.6
68.44261	1.2
70.76784	3.7
121.02958	4.7
189.00403	1.5
234.41176	1.3
287.22513	1.4
313.07031	1.9
401.29495	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	402.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	16.4
58.02964	25.6
59.01373	37.0
61.98824	11.0
70.56633	8.9
71.01374	28.8
72.99275	7.5
73.02943	3.6
74.02440	3.5
78.95890	8.3
83.01374	51.4
85.02967	9.2
87.00865	28.3
88.01207	3.3
89.02445	19.0
90.02730	4.9
92.92780	3.3
95.01408	4.6
96.95998	14.0
99.00919	3.8
101.02440	12.6
106.95561	3.2
108.02166	26.7
109.02465	12.4
109.03064	7.4
110.03291	6.4
111.00916	3.6
113.02445	7.6
119.03490	5.4
123.00863	13.6
131.03476	4.4
138.03218	7.8
139.03983	12.4
140.03528	13.2
142.05084	100.0
152.01112	21.5
153.01518	15.6
161.04488	4.3
164.04439	3.8
165.05190	4.0
179.05562	7.7
179.06993	7.6
180.03903	3.7
180.05984	4.8
180.07481	9.9
192.81178	3.3
194.05429	4.0
202.07158	52.1
223.06131	4.4
241.00256	4.9
265.07150	9.9
266.07318	24.3
278.07477	5.2
295.95807	3.3
296.08456	16.5
326.09518	3.4
328.79977	5.0
342.11111	24.7
358.08649	35.9
367.12329	22.4
378.72171	3.7
402.11407	99.3
402.19281	5.3
403.12274	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66255	2.4
57.03421	2.8
57.10232	2.6
58.02983	2.6
59.01376	70.8
59.82469	2.5
70.88213	2.6
70.88536	4.7
71.01379	51.7
72.99306	9.6
73.02917	5.3
83.01398	7.2
85.02955	14.8
87.00871	26.8
89.02436	63.3
95.01363	3.2
96.96004	4.8
99.04430	2.4
101.02440	26.2
108.02162	49.5
109.02969	22.1
111.00923	3.2
113.02461	24.5
119.03512	21.1
123.04545	13.1
131.03505	5.7
133.01402	2.9
142.05086	9.2
143.03490	8.3
149.02405	2.7
152.01141	32.7
153.01941	14.0
153.05577	16.6
161.04549	9.8
164.04790	6.6
166.02695	5.3
177.02002	2.7
178.06305	3.5
179.03441	3.2
179.03957	3.6
179.05594	34.8
179.07147	11.7
188.04791	3.0
191.03357	3.5
191.95894	3.4
194.05763	3.9
202.07100	7.2
209.06546	4.6
209.08331	3.5
263.83496	2.6
264.03333	2.8
265.07147	23.0
277.07184	3.9
295.08261	9.9
304.75461	2.6
325.09174	3.3
341.10828	100.0
342.11145	10.6
357.08243	43.5
357.12277	4.7
358.08453	6.3
382.31677	3.5
399.45544	2.7
401.10941	43.4
402.11276	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	401.1446
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01874	5.6
57.03441	3.9
58.00596	2.9
59.01375	64.2
69.03448	3.3
71.01376	90.8
71.62829	1.3
72.01727	1.5
72.99294	4.7
73.02941	34.0
74.02487	1.9
75.00880	2.9
81.03460	1.3
83.01373	15.2
85.02944	55.6
86.03290	1.2
87.00854	6.7
89.02440	33.0
95.01379	7.1
96.96005	7.3
97.02972	4.7
98.93212	1.2
99.00867	18.9
99.04494	1.6
101.02438	71.8
102.02769	1.5
111.00869	1.2
113.02447	37.2
113.03242	2.0
114.02765	1.5
115.04026	4.1
119.03516	8.0
121.02985	1.2
123.04521	1.4
125.02424	7.4
129.01953	2.9
131.03511	4.0
135.04633	1.5
140.69266	0.9
143.03499	4.4
146.00023	1.0
149.04549	3.3
149.06108	1.1
159.02946	6.4
161.04544	44.9
179.05605	3.3
187.35725	1.2
191.05652	1.9
205.03526	1.1
209.08179	1.6
221.08209	15.1
222.08510	1.1
233.06633	5.7
239.09264	1.7
240.17886	1.0
241.00415	1.2
269.10278	87.8
270.10730	5.5
293.08853	3.1
341.11591	1.5
401.14627	100.0
402.14832	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	401.1811
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.82348	1.0
57.03449	12.3
59.01375	100.0
67.01882	3.2
68.99798	4.2
69.03442	7.1
69.24204	6.9
69.24635	4.0
71.01378	19.5
72.99308	12.2
73.02957	1.8
74.28711	1.1
75.00869	3.5
79.95733	7.2
83.01395	7.5
84.02181	1.4
85.02946	45.5
86.03291	1.1
87.00867	9.4
87.04501	4.9
89.02436	2.5
95.01345	1.4
95.95203	2.3
96.01704	1.2
96.96007	14.3
97.02940	16.4
98.20568	2.7
98.74680	1.1
99.00862	12.3
101.02412	2.8
111.00877	5.9
113.02453	5.6
115.04010	11.5
127.04006	1.9
129.01932	32.3
138.12614	1.2
141.01967	6.4
159.02953	6.5
191.05592	39.3
209.06662	10.6
209.11804	99.2
210.12198	6.1
246.08255	1.5
255.99135	1.2
256.99777	3.3
302.51932	1.3
341.11057	1.4
344.17212	2.4
401.18140	80.0
402.12711	11.0
402.18417	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53475	0.8
58.00579	1.8
59.01376	42.7
61.98826	3.7
67.99431	1.0
71.01378	18.8
71.62607	0.9
72.99298	1.2
73.02944	3.7
73.04059	0.9
74.02470	3.3
79.95708	1.0
80.96490	1.4
85.02942	2.5
87.00868	2.3
88.04026	3.1
89.02438	19.8
90.44635	0.9
95.01373	1.0
95.05021	1.4
96.00909	1.1
96.96004	11.6
98.95618	1.3
99.00867	1.0
101.02428	11.3
108.02150	1.4
109.01701	1.4
109.02993	2.0
113.02460	7.7
113.52876	0.8
115.00330	2.5
115.08768	1.7
119.03482	8.6
123.04518	69.2
124.04812	3.3
129.10274	1.1
133.02861	1.0
135.04501	3.7
137.02487	1.0
137.07065	1.2
143.03458	1.4
151.00296	1.0
152.01868	0.8
153.05566	100.0
154.05867	3.8
161.04533	1.9
179.05579	3.0
179.07056	1.8
179.88596	1.0
239.09258	0.9
241.00214	2.3
253.08170	1.4
253.60777	0.8
267.18268	2.6
285.19333	2.1
286.17569	1.7
297.09872	1.2
315.10800	4.0
357.11841	7.1
361.88089	1.0
366.16614	3.6
383.19193	2.3
401.11169	11.9
401.20120	8.5
402.11993	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.3
68.99826	1.4
71.01376	5.4
71.38390	2.4
71.38740	1.5
72.99339	1.9
73.02934	4.0
83.01404	1.6
85.02945	4.5
87.00871	53.4
88.01190	1.2
89.02432	2.4
90.28429	1.0
96.95994	4.6
101.02455	2.4
113.02439	3.5
121.02921	1.7
123.00885	4.9
123.04530	2.5
135.04492	1.3
138.03206	3.2
138.98747	1.7
149.02434	3.4
151.04065	1.6
153.05550	5.4
153.20399	1.2
161.02475	6.4
163.04002	18.1
164.04767	12.0
165.05531	2.8
166.02711	5.6
173.02388	2.4
175.03940	2.3
176.01227	1.2
176.04790	9.0
177.01901	3.2
178.06343	15.8
179.03534	8.8
179.05644	2.2
179.07103	25.5
180.07510	1.5
181.05070	7.3
187.03973	2.6
188.04727	2.5
189.02011	1.5
190.02698	1.9
191.03476	18.6
191.07097	5.7
192.04167	3.3
193.05083	7.7
193.08661	3.3
194.05804	7.7
203.03424	6.3
204.04192	2.0
205.05046	8.5
206.05797	7.2
207.02994	1.6
207.06554	4.0
209.08237	9.1
218.05794	3.9
219.02937	5.6
220.03571	1.5
221.04486	4.7
221.08136	5.8
222.05269	2.1
231.02982	1.8
234.05388	2.6
235.06036	1.7
236.06793	1.8
237.07629	3.4
238.04723	3.3
246.05402	1.8
247.02521	5.8
247.06073	3.9
249.07642	4.7
250.04791	1.7
251.09198	2.6
261.07648	2.2
262.04739	6.4
263.05420	1.4
265.07147	54.6
266.07523	3.4
277.07153	27.2
278.07413	2.1
289.47946	1.3
295.08212	67.2
296.08539	5.3
325.09180	2.8
337.09442	1.7
341.10812	3.9
355.10342	19.9
356.10739	1.7
357.08173	2.6
383.09790	7.3
401.10840	100.0
402.11267	12.1
418.31860	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57173	2.0
59.01377	37.1
70.17108	4.0
70.17503	5.1
71.01380	25.2
72.99290	3.4
73.02960	4.4
77.77681	2.1
85.02939	8.3
87.00876	19.7
88.98801	7.0
89.02436	33.8
95.01357	3.8
96.95978	5.9
98.20634	2.8
101.02455	13.8
104.25997	2.3
105.45106	2.3
108.02167	100.0
109.02296	3.2
109.02953	37.9
110.03342	2.5
111.00810	2.2
113.02465	12.3
119.03508	10.3
123.00855	3.9
123.04510	15.6
135.00925	2.1
135.04506	6.2
143.03522	4.9
148.52356	2.0
152.01138	70.5
153.01944	31.1
153.04601	2.4
153.05574	24.1
154.02211	2.1
161.04568	4.1
163.03998	2.5
164.04678	4.9
166.02664	3.6
170.90916	2.5
178.06364	2.8
179.03484	2.2
179.04160	2.2
179.05562	15.8
179.07094	6.7
181.05084	2.6
191.03450	2.8
193.05055	3.0
197.04451	2.5
197.68553	2.2
209.06544	3.9
230.35271	2.2
265.07132	15.3
295.08228	5.8
341.10834	49.9
342.11197	4.8
357.08228	87.4
357.12656	4.9
358.08505	7.1
401.10873	28.4
402.11008	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	401.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01693	0.8
57.54165	0.8
59.01374	8.0
61.21708	0.7
61.98823	1.2
66.55167	0.8
70.40350	2.2
71.01379	2.9
73.02928	0.9
77.36873	0.7
81.03459	1.5
85.02943	3.1
87.00867	1.4
89.02415	1.5
90.76295	0.8
93.03479	1.0
95.01385	1.2
96.96006	9.2
99.00883	1.1
101.02461	1.3
108.02169	100.0
109.02963	36.7
110.03300	1.0
113.02469	1.0
118.10400	0.8
123.00887	1.5
123.04513	1.3
128.03506	1.3
133.02931	0.9
135.04530	1.5
138.97177	0.9
141.20045	0.7
151.04045	1.9
152.01140	70.1
153.01945	23.7
153.05521	0.8
154.02280	1.1
161.04491	0.9
163.03983	1.0
163.18742	0.8
165.01883	1.6
189.48322	0.8
190.48904	0.8
241.00269	1.6
315.07187	2.7
319.57767	0.9
357.08218	83.5
358.08572	8.0
401.11237	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	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	30.8
71.63078	35.6
72.96061	21.1
195.53909	27.0
204.67882	21.5
213.23256	22.1
229.17778	24.3
268.28305	21.0
281.24835	76.9
339.23148	28.0
355.32007	56.3
399.31079	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	399.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	19.5
61.98803	31.1
69.52975	42.9
69.53383	100.0
82.25238	18.2
97.54458	19.4
99.50869	18.4
265.57028	19.3
273.41934	19.2
279.16290	23.3
341.27310	22.0
355.31100	26.1
399.25443	40.6
399.30032	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86636	1.8
57.96077	1.7
59.01377	100.0
61.98822	2.8
71.63047	1.9
95.93636	1.7
100.06817	1.6
108.11541	1.6
113.02474	1.9
142.47556	1.7
176.55212	1.8
201.44598	2.6
214.31506	1.8
255.08173	1.8
255.23285	2.4
277.21686	12.3
279.23035	2.0
289.59775	1.9
311.20486	39.1
312.20944	4.2
399.22104	19.6
399.29041	35.4
399.34351	2.0
400.22147	1.9
400.29614	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	399.29
Annotation	DHEA ENANTHATE
Peak:m/z	Relative Intensity
59.01360	0.9
61.98824	8.3
69.11587	0.3
71.52052	0.4
85.06580	1.3
97.06566	0.6
99.22636	0.3
255.23132	0.6
355.32205	1.8
356.32581	0.4
399.28961	100.0
400.29276	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88419	0.4
56.98025	1.1
59.01377	5.2
60.97525	1.6
61.98820	0.7
62.33119	0.5
63.96227	4.0
69.76514	2.9
71.01375	2.6
72.99310	3.9
73.98315	4.3
74.99094	90.6
75.99432	0.9
79.95767	0.8
82.95406	1.9
85.57100	0.5
87.00872	2.8
89.02445	1.7
96.95989	4.6
98.19867	1.1
101.02437	1.8
113.02474	1.0
117.97305	2.9
118.98019	0.5
119.03489	1.0
133.55197	0.5
135.98360	5.6
136.99138	100.0
137.99442	1.4
150.05560	0.6
169.31239	0.5
211.62720	0.6
298.64056	0.5
344.92538	0.5
349.77475	0.5
352.66559	0.5
355.75916	0.5
387.50104	0.5
399.09415	2.3
399.13617	12.3
400.13782	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00028	1.3
55.01862	1.8
57.03424	2.5
59.01094	2.0
59.01372	21.8
61.98816	4.9
71.01375	26.2
71.61607	1.4
72.97259	1.4
73.02952	16.6
74.52306	1.4
78.95898	6.0
83.01376	5.2
85.02938	17.2
87.00867	3.7
88.98800	4.4
89.02457	9.7
92.95975	2.3
96.96002	31.4
96.96948	3.9
99.00874	7.2
101.02435	34.7
107.05006	1.9
113.02451	13.3
115.04022	1.8
119.03544	1.9
128.03481	2.2
129.01872	3.1
134.04787	1.7
136.99072	2.2
150.04152	1.9
157.07692	2.3
159.02924	2.2
161.04546	9.6
194.04025	1.5
205.03679	1.7
207.08717	56.4
208.09055	2.3
267.02853	1.6
301.15179	1.8
339.12921	100.0
340.13474	8.0
399.09351	5.1
399.14133	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	399.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	2.8
59.01377	59.8
61.98836	5.1
70.05334	4.8
71.01378	36.3
72.99310	3.0
78.95913	1.8
79.95738	2.2
80.96495	1.4
83.01363	1.6
85.02949	6.2
87.00896	5.5
89.02440	43.0
90.98574	1.7
95.01390	3.4
96.00923	1.7
96.96004	36.2
101.02444	20.9
101.04301	16.6
109.71378	0.9
111.00845	1.0
113.02447	15.7
119.03500	17.0
120.99652	1.2
127.08794	1.0
128.03600	0.9
131.03543	1.4
131.05379	5.4
134.03735	1.3
135.04546	1.7
138.82492	0.9
138.97064	1.5
149.04457	1.4
157.08656	1.0
161.04498	2.8
171.07767	1.3
173.89330	1.0
175.17841	0.9
178.01773	0.9
179.05612	5.8
186.12491	2.6
208.45752	1.1
213.76041	1.0
219.06923	4.9
241.00146	5.5
257.53250	1.0
280.21402	1.1
319.13898	1.6
399.09293	27.4
399.13287	100.0
400.13840	11.6
400.21896	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	399.0961
Annotation	Elesclomol
Peak:m/z	Relative Intensity
55.39445	0.4
57.02131	0.4
59.01095	0.7
59.01376	11.3
59.59029	0.5
70.88015	1.0
71.01377	6.4
73.02931	0.7
79.95731	8.0
80.96504	4.5
83.01394	0.7
85.02950	1.6
87.00863	1.5
89.02433	6.9
94.98024	0.5
96.96003	64.9
99.00864	0.8
101.02433	7.5
105.25034	0.5
113.02445	3.6
119.03521	2.6
135.04514	1.3
137.96288	0.9
138.97070	4.5
139.07654	4.1
150.97031	0.7
157.08720	2.8
166.96542	0.8
195.06706	0.9
241.00208	9.4
254.77213	0.5
279.05539	0.6
280.33383	0.4
319.13950	9.3
377.05624	0.5
391.49054	0.4
399.09592	100.0
400.09854	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.61874	0.5
58.00591	0.8
59.01378	19.9
61.98827	22.6
69.47741	2.8
71.01377	10.0
72.99312	1.3
73.02929	1.1
79.95329	0.4
79.95726	2.9
80.96516	1.6
83.01376	0.6
85.02934	2.1
85.68812	0.4
87.00876	1.0
87.21326	0.4
87.30276	0.5
89.02444	12.0
95.01389	0.8
95.95248	1.1
96.00875	0.5
96.18484	0.4
96.96004	63.7
99.00885	1.1
101.02435	9.5
113.02444	5.0
114.05587	1.2
115.00373	0.7
119.03504	5.4
122.02468	1.1
122.97582	0.6
129.01952	0.6
131.03586	0.5
134.03728	0.9
135.04530	7.4
138.97058	2.0
139.07646	8.5
149.06062	0.9
150.97112	1.0
151.00458	0.5
157.08679	2.2
161.02379	1.3
161.04547	0.5
175.02368	0.5
177.01958	0.5
180.98074	0.7
193.05037	1.0
194.05432	0.8
195.06761	2.2
227.14020	0.6
227.53729	0.5
233.04346	0.7
241.00194	7.4
277.03430	1.5
288.46411	0.5
319.13950	14.3
320.14197	0.7
337.05569	0.7
364.15073	0.5
399.09589	100.0
400.04858	0.8
400.09866	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	399.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01088	0.7
59.01377	10.5
68.42133	0.5
69.90961	1.9
71.01374	6.7
73.02947	1.1
78.81632	0.4
79.95267	0.6
79.95731	7.4
80.96509	3.8
83.01375	0.6
85.02947	1.3
87.00832	1.1
89.02439	7.1
95.01361	0.9
96.96003	62.4
101.02437	7.2
113.02454	2.9
114.79608	0.5
119.03505	3.5
135.04507	0.8
137.96313	0.7
138.97047	3.4
139.07645	5.2
150.97067	1.1
157.08688	2.4
162.49112	0.4
166.96521	0.7
188.79271	0.4
241.00211	11.4
247.01167	0.6
262.66837	0.4
280.53052	0.5
319.13934	9.6
320.14325	0.8
399.09592	100.0
400.09952	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	399.1323
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
57.03436	0.4
59.01368	3.1
61.98816	1.4
69.03451	0.4
69.85807	0.4
71.01380	1.8
73.02934	0.6
75.00871	0.4
78.95913	0.7
79.95737	2.5
80.96502	1.2
83.01389	0.5
85.02941	1.1
87.00909	0.4
89.02441	0.6
93.03461	0.4
96.96004	54.0
99.00881	0.6
101.02441	1.2
103.04000	0.5
108.08167	0.4
113.02443	0.6
121.02940	3.0
124.38227	0.3
135.04509	0.6
137.02490	0.4
138.97052	1.0
150.97084	0.4
168.98123	0.4
189.15201	0.4
193.04965	0.6
209.06651	0.4
209.26700	0.3
222.06583	0.8
231.73209	0.3
241.00215	4.2
256.99820	0.6
259.01181	2.6
271.10001	0.5
360.10162	1.4
365.17892	0.5
399.13248	100.0
399.63367	0.4
400.13763	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	399.1322
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
58.99575	0.4
59.01375	7.3
71.01374	3.0
71.28812	0.4
71.63164	0.4
72.99279	0.4
73.02937	1.0
79.95724	3.7
80.96507	2.3
83.01386	0.6
85.02938	1.3
85.30869	0.4
87.00867	0.6
88.10828	0.3
89.02441	1.0
95.95229	2.5
96.96003	76.3
98.95551	0.6
101.02423	1.8
109.02980	0.4
113.02427	0.8
115.11366	0.4
119.03519	0.4
119.04990	0.4
120.99622	0.5
122.02412	0.5
122.97598	0.5
123.04539	0.6
126.11117	0.4
134.03738	1.6
135.04480	1.7
136.05304	0.9
137.02412	0.7
137.09753	0.5
138.97063	1.7
149.06134	0.8
150.97025	1.3
151.04002	0.5
151.07686	0.4
157.09621	0.4
161.02437	0.5
165.00140	0.8
166.00558	0.4
166.99858	0.4
167.01222	0.4
175.04031	0.5
177.04086	0.8
178.02667	0.5
180.98163	0.9
182.03564	0.5
193.05061	1.4
194.05373	0.8
195.05035	0.6
195.06641	11.4
196.06941	0.8
198.99208	0.8
204.00682	1.1
210.65689	0.4
219.03004	1.4
225.00781	0.4
230.31432	0.4
241.00188	3.4
256.99878	0.7
311.07932	1.0
399.13284	100.0
400.13623	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	398.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01376	24.2
61.98826	100.0
69.48306	4.7
71.01385	3.1
73.02950	0.7
79.95746	2.0
80.96514	0.6
85.02966	1.9
87.00871	1.2
89.02442	1.8
93.03455	10.4
96.96004	28.4
101.02448	1.9
107.99604	0.6
113.02502	1.2
125.06909	0.5
129.01939	0.8
135.04526	0.8
137.02431	17.7
139.07631	1.0
158.82675	0.7
161.02437	0.8
163.81662	0.6
170.63568	0.7
171.40488	0.7
182.19412	0.6
195.06718	1.2
201.47606	0.5
207.06575	0.9
241.00259	3.7
249.13507	2.7
259.01382	1.4
267.66757	0.6
278.53146	0.5
291.14639	0.6
398.12000	2.6
398.16080	2.0
399.09525	10.0
399.13498	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	398.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01372	21.2
61.98824	100.0
63.48675	0.4
63.94061	0.5
71.01380	2.6
71.63195	0.5
72.99294	0.5
73.02931	0.7
79.95739	1.4
83.01398	0.7
85.02944	1.2
89.02453	1.6
93.03445	6.3
94.99098	0.4
95.22470	0.5
95.95200	0.5
96.96001	19.1
99.00906	0.5
101.02425	2.9
113.02440	1.1
119.03475	0.5
134.03812	0.5
135.04552	1.2
137.02434	10.9
161.04613	0.7
171.90228	0.4
175.03926	0.6
188.01323	0.4
198.06796	0.4
207.06618	0.4
209.06572	0.4
231.31775	0.4
241.00192	2.2
249.13322	3.0
259.01279	0.7
273.69843	0.4
291.14511	1.2
347.48093	0.4
398.12149	1.3
399.09503	5.9
399.13504	10.8
412.88239	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
60.89447	0.6
61.98835	1.0
66.03503	0.6
70.78326	0.6
70.88171	1.4
73.04060	7.6
75.00879	3.2
79.95736	1.3
96.96006	10.2
98.19958	0.7
122.97650	0.8
130.08733	66.5
131.09067	1.8
141.10345	1.6
143.11891	98.7
144.12308	3.2
187.10921	4.1
207.50302	0.6
226.21689	2.9
266.21262	6.4
267.21515	0.8
270.20602	0.6
353.31699	7.4
354.31924	0.8
359.09637	0.6
376.50336	0.6
397.23022	13.4
397.30670	100.0
398.23178	1.3
398.30957	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	398.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39727	1.0
59.01377	5.9
61.98822	5.1
63.28146	0.8
69.53483	2.5
69.53909	3.6
71.01373	2.7
73.02947	1.0
79.71832	0.7
79.95718	2.7
80.96498	2.3
84.04529	1.7
84.95055	0.8
85.02924	1.3
87.00861	2.4
89.02428	1.3
96.96000	27.9
98.95596	2.3
101.02428	1.4
102.05597	32.3
103.05909	0.8
111.00883	1.3
113.02480	0.8
120.99630	2.7
123.18359	1.1
125.00658	1.2
127.29205	0.8
134.03723	3.6
135.04118	1.7
137.02408	1.4
138.96973	1.2
139.02180	0.9
147.04442	1.1
149.06018	1.0
150.06422	1.0
153.00122	3.7
163.99344	7.8
165.00134	79.5
166.00914	57.2
167.01720	7.6
176.03471	1.1
178.02675	2.7
179.03029	2.1
181.03270	57.1
181.37199	1.1
182.03548	3.5
189.04308	1.2
191.98842	20.9
192.99609	6.4
193.05063	6.6
194.05360	6.1
195.06638	7.0
206.08191	1.2
207.01183	34.1
208.01436	1.7
209.01245	0.9
222.02248	0.8
224.03775	1.0
230.37300	0.9
238.98753	1.4
239.99023	1.3
241.00258	2.7
242.00308	1.3
256.99619	2.6
258.00024	1.2
278.04889	9.8
279.05249	1.2
310.07507	100.0
311.07779	9.9
373.23752	0.9
398.08337	24.9
398.13181	2.1
399.09427	8.9
399.13229	8.5
399.26001	1.0
402.66763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64580	1.3
61.98820	1.5
69.03447	3.0
70.09966	4.3
70.10301	1.5
71.01377	5.0
71.05019	11.8
72.99311	2.1
79.95718	6.7
80.96517	2.3
83.05016	2.6
85.02944	23.4
96.96001	43.3
111.00903	3.7
122.97600	1.4
125.03040	1.3
152.55647	1.3
159.34494	1.5
199.01205	1.3
223.80258	1.2
230.50243	1.4
279.26843	1.6
281.28448	18.0
307.29987	10.7
309.31561	23.0
335.29376	5.7
340.14365	1.6
353.30527	100.0
354.30820	12.4
397.17392	3.1
397.22604	53.1
397.29501	84.8
398.23007	4.9
398.29773	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	397.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03446	0.8
59.01379	7.6
61.98817	0.9
66.90574	0.6
69.77275	3.0
71.01384	7.2
72.99305	0.6
73.02946	1.8
75.54424	0.7
79.95729	7.8
80.96516	8.4
83.01399	1.4
85.02958	3.0
87.00883	2.4
89.02446	4.0
94.98097	1.0
96.96004	40.0
98.20583	1.4
99.00889	2.7
101.02441	4.7
111.00878	7.1
113.02464	3.1
119.03508	1.0
120.96024	0.9
120.99644	1.6
121.02932	1.5
127.00320	0.7
129.01953	4.0
133.02937	1.8
134.03734	58.5
135.03975	2.9
136.92607	0.6
137.02426	9.7
138.97099	2.3
139.04008	3.1
141.01926	0.7
149.06090	16.7
150.03247	0.9
150.06418	1.4
159.02988	1.3
160.01622	1.2
160.08701	0.8
161.04558	1.9
175.03958	1.6
178.02698	34.1
179.03079	1.7
190.05154	1.0
191.03540	0.8
193.05040	100.0
194.05351	5.8
210.99139	1.9
235.06213	0.7
238.98633	8.6
241.00230	4.9
256.97012	1.3
256.99713	21.9
284.25214	0.7
289.16562	1.6
310.07434	1.1
337.09256	0.6
397.11627	57.7
398.12006	6.1
416.69501	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06256	0.4
57.03437	0.6
59.01379	4.7
61.98843	0.5
64.11536	0.4
66.58418	0.4
68.55727	0.4
68.97505	0.4
68.99815	0.4
70.35376	0.4
71.01379	3.9
71.22750	0.8
72.99306	5.1
75.00861	4.2
78.95892	3.1
79.95731	4.4
80.96508	3.6
83.01399	0.9
85.02942	2.6
87.00881	1.3
89.02450	1.4
95.01369	0.6
95.95232	0.7
96.96004	100.0
98.95583	0.9
99.00907	0.4
101.02443	2.1
103.00369	1.3
112.57252	0.4
113.02454	2.5
114.16907	0.4
119.03504	0.5
122.97562	0.5
129.01976	0.7
130.99855	2.4
138.97060	9.4
143.03491	0.7
150.97054	0.7
155.10774	1.1
164.98575	0.9
168.98138	0.5
174.80980	0.4
180.98030	0.7
193.05139	0.4
196.97644	0.4
222.99110	2.2
241.00209	58.8
242.00542	2.5
256.99561	0.4
277.14185	0.6
300.63660	0.5
338.67599	0.5
383.98407	0.4
396.63062	1.4
396.68094	1.1
397.11450	31.7
397.18613	0.9
397.63773	1.1
397.68707	0.7
398.11234	1.7
398.14716	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	397.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.0
59.01379	7.1
61.98819	1.2
69.03465	0.7
70.95304	1.4
71.01373	5.7
72.99306	8.8
73.02954	0.6
75.00861	7.6
78.95901	4.2
79.95723	4.6
80.96523	3.5
83.01379	0.6
85.02934	3.3
86.74580	0.6
87.00879	1.6
89.02448	1.9
93.03458	0.8
95.95251	0.8
96.35678	0.5
96.96004	100.0
97.02901	0.7
98.95611	0.9
99.00900	1.3
101.02433	2.1
103.00359	2.3
105.54698	0.5
106.23017	0.6
113.02470	3.0
115.00371	0.6
129.01942	1.1
130.99847	5.7
134.03711	1.0
137.02432	0.6
138.97063	9.7
143.03534	0.9
150.97055	1.0
155.10770	1.2
160.01627	1.4
164.98558	0.8
168.98077	0.7
175.03946	1.2
180.98085	0.8
191.05537	0.7
193.04951	1.4
213.05917	1.3
222.99178	1.3
229.14389	1.5
241.00214	59.8
242.00435	2.5
256.99747	0.8
300.64255	0.9
338.67313	0.8
396.67728	1.9
397.11453	31.0
397.18411	2.7
397.64108	2.2
397.68744	1.3
398.10590	0.9
398.14609	2.9
402.52463	0.6
421.13293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05637	0.5
59.01375	4.2
61.98841	0.6
64.92490	0.5
70.76749	0.5
71.01395	0.9
74.99093	0.6
79.95725	4.2
80.96505	1.6
83.01374	0.6
85.02959	1.0
93.03421	0.7
93.67209	0.5
95.95156	0.6
96.96004	17.6
98.20612	1.4
98.95566	2.3
100.56083	0.5
101.02463	0.6
102.05588	1.9
111.00838	1.3
121.02939	1.2
133.02925	1.5
134.03734	61.1
135.04047	3.2
137.02432	7.3
138.97090	1.0
139.03983	2.4
146.28632	0.5
149.06073	21.3
149.94310	0.5
150.03172	0.6
150.06413	1.0
164.98854	0.7
165.00127	4.7
166.00931	4.7
167.01906	0.6
175.03928	0.8
178.02699	30.2
179.03038	2.1
181.03322	3.6
191.98779	0.9
193.05042	100.0
193.31473	0.5
194.05370	5.5
207.01183	1.8
229.12527	0.5
238.98637	1.2
241.00166	2.7
256.99734	2.2
273.60608	0.6
310.07452	6.4
337.09271	5.4
338.09378	0.9
397.11673	24.4
398.08377	0.8
398.12296	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	397.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50466	0.5
55.01846	0.9
57.03416	1.0
59.01376	16.3
61.98811	2.1
62.61488	0.7
69.71404	4.0
71.01376	12.6
72.99290	1.2
73.02935	1.8
75.00861	0.6
76.05386	0.6
79.95732	6.3
80.96516	1.8
83.01367	1.3
85.02953	3.6
87.00858	1.4
89.02434	13.0
93.07064	1.1
95.01329	1.0
95.95205	2.3
96.96001	80.3
98.19858	1.0
98.89833	0.6
99.00873	1.0
101.02431	10.7
113.02450	6.3
119.03476	7.2
120.01168	0.8
134.03728	13.6
137.02461	0.9
138.97006	2.9
149.06068	4.8
178.02696	6.1
179.05612	0.8
180.98048	0.6
193.03300	1.1
193.05051	21.0
194.05391	1.0
198.99150	0.7
205.04993	2.0
217.74971	0.8
233.04451	2.5
241.00198	6.8
317.12305	2.3
353.09003	5.5
397.07968	100.0
398.08212	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	397.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
69.32663	2.3
71.01401	0.4
71.54442	0.2
78.95905	0.8
79.95734	0.7
96.96017	2.0
97.06830	0.2
108.03426	0.2
111.00865	0.4
114.31532	0.2
116.24226	0.2
121.02947	0.9
122.90763	0.2
129.95319	0.2
133.02940	4.6
134.03738	6.0
136.98819	0.3
137.02426	4.6
139.04007	1.5
140.01088	0.3
150.03230	0.5
152.99629	0.3
155.03484	0.4
161.02429	10.3
162.02792	0.4
165.01888	0.2
165.99062	0.4
178.02669	1.6
192.04260	0.9
193.05032	100.0
194.05374	5.4
204.09148	0.2
208.00073	0.5
223.02415	0.5
284.03262	2.4
285.03625	0.3
299.05655	1.0
317.06589	4.0
318.07047	0.5
337.87521	0.2
360.59891	0.3
397.02490	0.3
397.11459	6.1
398.11694	0.8
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
59.01375	3.8
60.66946	0.3
61.98835	1.2
71.01379	3.2
71.63078	0.4
72.99297	0.5
73.02947	0.7
76.39909	0.4
79.95728	1.4
80.96508	0.7
83.01381	0.4
83.58247	0.3
85.02940	1.4
87.00898	0.3
88.98807	1.2
89.02437	1.7
93.03447	0.7
93.75919	0.3
96.96006	9.5
99.00894	0.4
101.02426	2.3
102.89565	0.3
106.04285	0.6
109.02942	0.3
111.00869	0.5
113.02433	1.7
119.03500	0.9
119.05028	0.4
120.99744	0.4
121.02953	1.4
129.01927	0.5
133.02972	1.9
134.03732	59.7
135.04036	3.5
137.02441	8.3
138.02765	0.5
138.97037	0.5
139.04019	3.6
147.04549	0.3
149.06073	17.5
150.03239	0.5
150.06406	1.4
153.64525	0.4
160.01672	0.7
161.02596	0.3
161.04541	1.1
165.00128	0.3
167.01733	0.7
175.04028	1.0
178.02698	34.3
179.03021	2.5
183.59435	0.3
190.05168	0.5
193.05042	100.0
194.05400	6.4
203.03488	0.8
234.04010	0.5
235.06062	0.4
241.00194	0.9
249.12358	0.4
273.90305	0.3
279.07965	0.5
279.10751	0.7
281.09644	0.5
289.16544	1.5
321.67776	0.3
395.57416	0.3
397.11633	10.4
397.16843	0.7
397.24551	0.3
398.11874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
61.98841	2.3
65.71018	0.7
71.01374	2.1
71.62337	1.0
75.00874	2.4
79.95736	1.4
85.02951	1.0
95.95209	0.8
96.96008	15.3
102.05608	3.5
109.02924	0.9
110.83004	1.0
117.01908	1.1
121.02980	1.0
128.03545	8.1
130.44386	0.8
133.02962	1.3
134.03732	100.0
135.03036	5.8
135.04446	3.1
137.02432	4.7
139.04007	1.0
144.31863	0.9
148.05244	0.8
149.06070	73.6
150.06430	2.5
160.01653	3.6
161.02364	1.4
175.03987	5.4
178.02682	16.2
193.05043	45.8
238.31589	0.7
241.00224	1.5
246.07744	1.1
278.10306	77.5
279.10602	6.4
310.65576	0.8
337.09274	2.1
396.12741	8.4
396.18420	1.5
397.11804	12.7
397.17270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.6
59.01374	15.7
61.98819	1.2
66.71118	0.5
71.01381	11.4
71.62280	0.6
72.99303	1.3
73.02940	1.3
75.13084	0.5
79.95739	6.2
80.96513	2.8
83.01411	0.9
85.02949	3.1
87.00864	1.6
89.02438	13.9
93.07051	1.2
95.95231	2.0
96.96004	79.9
99.00896	0.8
101.02438	9.6
108.20362	0.5
113.02462	5.3
119.03495	5.4
119.04924	0.6
122.97580	0.8
134.03741	7.8
137.02419	0.8
138.97057	2.4
149.06039	2.6
150.97026	1.1
161.04539	0.9
164.98627	0.7
178.02705	4.2
179.05621	0.8
180.98180	0.5
193.05063	11.8
193.06808	1.2
194.05370	0.9
220.69177	0.6
225.00999	0.6
233.04517	1.1
241.00160	7.8
279.56076	0.5
317.12360	1.8
327.99655	0.5
353.09119	3.2
382.97791	0.5
397.07996	100.0
398.08325	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	395.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64804	0.4
55.01897	1.0
57.03442	2.2
58.23991	0.5
59.01369	4.3
67.01891	0.6
68.99809	0.9
69.03438	0.5
69.45446	3.6
71.01377	7.5
72.99307	30.4
73.99682	0.9
75.00876	27.0
79.95737	23.2
80.96516	7.8
83.01373	2.0
85.02952	8.9
87.00862	3.8
89.02406	0.7
92.85919	0.5
94.98095	1.3
95.01376	1.6
95.94590	0.6
95.95232	25.4
96.96008	76.2
97.94780	0.5
98.95577	1.2
99.00889	2.5
101.02453	1.2
103.00393	1.2
105.11126	0.5
111.00894	6.4
113.02464	3.5
115.00376	2.7
120.96005	1.0
122.02487	1.9
127.00380	0.6
128.69907	0.5
129.01939	3.7
130.99846	2.5
133.01434	1.3
138.97060	4.1
147.48544	0.5
150.97070	6.5
151.97852	3.6
159.03035	1.4
164.98631	0.9
167.00218	0.6
176.98619	0.6
177.04039	2.3
187.11229	0.8
194.99742	0.7
210.99182	0.9
213.00810	0.6
221.56172	0.6
222.99223	1.5
238.98654	5.4
241.00243	7.9
246.08546	0.9
256.99716	17.7
258.00183	1.0
300.02820	1.5
315.05060	3.1
328.17853	0.9
335.18665	2.0
335.68903	0.6
337.18381	36.9
337.68542	16.4
337.72531	0.8
338.18860	1.8
366.18558	1.9
366.69022	1.3
394.63168	11.2
394.67947	0.8
395.13867	100.0
395.19003	16.2
395.63367	2.1
395.69211	7.6
396.14166	10.9
396.19101	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	393.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74223	1.0
51.89649	1.0
58.02975	21.8
59.01374	3.7
61.98818	2.6
67.90005	0.8
70.02972	22.8
71.02501	2.2
71.10003	0.8
71.62540	1.4
75.17841	0.9
78.95902	3.6
87.05627	4.2
95.02507	2.5
96.00279	1.5
96.00906	27.9
96.95997	2.1
103.28465	0.9
113.03563	13.8
114.01961	37.1
115.02286	1.1
131.04623	23.2
152.99597	4.6
171.00591	1.3
183.01234	2.0
199.65512	0.9
208.12270	1.0
274.51959	1.0
278.24915	6.6
304.26392	2.8
311.16809	5.1
349.28622	3.2
356.10812	1.0
375.21750	2.3
375.26495	44.2
376.26773	6.2
393.27576	100.0
394.27939	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	394.3322
Annotation	Semiplenamide E
Peak:m/z	Relative Intensity
52.72070	0.3
58.80989	0.4
59.01389	0.4
61.98826	1.3
69.51846	1.0
69.52277	1.2
70.92599	0.3
82.06603	0.4
88.73851	0.3
116.43861	0.3
128.10771	0.3
130.08730	100.0
130.94519	0.3
131.09094	2.7
140.10809	0.4
229.42465	0.3
350.34360	2.4
351.34668	0.4
394.33212	62.7
395.33539	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	395.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99994	0.9
59.01377	6.0
59.41512	0.9
61.98798	2.9
64.73873	0.7
71.01369	7.8
71.61747	1.1
72.99282	1.1
73.02909	2.5
78.95890	7.8
79.95736	4.5
80.96488	2.1
81.03438	0.9
85.02930	4.3
86.67949	0.9
87.00854	1.7
89.02413	1.9
95.01389	1.4
96.96005	100.0
96.96899	7.7
101.02435	4.4
108.02166	40.4
109.02962	23.9
110.98469	1.0
113.02431	2.8
121.02912	1.5
123.00823	1.5
123.04517	9.6
125.02414	1.1
128.03497	1.8
130.08710	0.9
133.02959	1.4
135.00806	1.0
135.04495	1.5
137.02449	5.6
138.03224	1.0
138.97041	4.1
141.83194	0.9
150.97035	1.2
151.03957	2.2
152.01140	44.8
153.01932	41.2
153.05550	11.1
154.02280	1.2
161.02388	0.8
163.03926	2.3
165.01878	2.9
177.48091	0.8
180.06635	1.2
180.97983	1.2
182.02119	1.4
195.06494	0.8
197.04445	3.5
215.14124	0.8
222.99028	1.4
241.00218	28.7
242.00432	1.1
315.07184	90.0
316.07434	5.9
351.03781	13.0
359.09686	1.1
360.12003	0.9
377.01816	9.7
395.02588	76.7
395.06650	9.1
395.16840	4.9
396.02826	7.4
396.07333	1.0
396.18506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0649
Annotation	Bensulfuron
Peak:m/z	Relative Intensity
53.12193	0.4
59.01376	1.2
61.98821	1.6
71.01361	1.1
71.06517	0.5
71.06856	0.6
77.53313	0.4
79.95737	4.3
80.96513	2.3
83.01407	0.8
84.76294	0.3
85.02944	0.5
85.23409	0.4
87.00851	1.1
96.96005	100.0
97.95937	0.5
101.02442	1.1
109.02954	0.6
113.02439	0.8
113.81943	0.4
123.04520	12.5
124.04857	0.4
135.00775	0.4
137.06059	1.0
138.97057	0.8
150.28558	0.4
150.97069	0.8
153.01996	2.1
153.05573	16.9
154.05885	1.2
165.05571	0.5
166.96492	0.4
195.06627	1.9
222.74928	0.4
222.99191	0.4
241.00215	34.0
242.00449	1.8
315.10797	0.6
395.06470	74.4
396.06830	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	395.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50225	0.5
59.01374	1.7
66.05585	0.6
69.78881	1.3
69.79298	2.0
71.01383	3.8
72.99297	0.9
73.02922	0.7
77.78988	0.6
79.95733	53.6
80.96510	10.1
83.01374	1.8
83.05026	1.4
85.02950	2.0
87.00853	3.5
95.95228	13.0
96.96004	81.4
99.00842	1.4
101.02446	3.1
111.00891	4.1
113.02424	2.3
115.02794	0.6
119.04990	0.9
120.96020	1.0
129.01900	3.0
134.03687	1.2
138.97054	7.9
144.65500	0.6
145.07799	0.6
149.06007	1.1
150.97011	1.7
152.37556	0.7
154.96530	0.8
159.02988	2.0
166.96523	1.6
180.98116	0.8
210.99158	1.2
238.98621	6.2
241.00203	30.8
242.00627	0.7
256.99716	19.2
257.99966	0.7
278.10196	1.3
285.62033	0.6
370.72260	0.7
391.81848	0.6
395.10126	100.0
396.10428	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	395.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.1
59.01373	2.0
65.89504	0.5
68.62700	0.6
69.28270	5.8
71.01379	4.0
73.02918	0.6
79.95731	56.1
80.96511	11.9
83.01378	1.8
83.05035	1.0
85.02938	2.1
87.00858	4.5
95.95226	13.3
96.96003	82.6
99.00871	1.7
101.02441	4.3
103.00345	0.6
111.00858	6.0
113.02454	1.6
119.01587	0.6
120.95988	0.7
127.00334	1.3
129.01941	3.0
131.33115	0.6
134.03717	1.7
137.96292	0.6
138.97078	6.0
149.06023	1.1
150.97066	1.8
154.96596	0.7
159.02950	0.9
166.96585	1.8
209.48781	0.6
210.99211	0.9
238.98616	7.5
241.00217	32.0
242.00490	1.1
256.99695	22.2
257.99939	0.9
278.10345	1.7
356.31839	0.5
384.79639	0.6
395.10114	100.0
396.10437	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	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.27190	0.5
57.03448	0.8
58.00591	3.2
59.01376	85.5
60.01715	0.8
69.03450	0.9
70.17742	1.1
70.18140	0.7
70.81786	0.4
71.01379	61.6
72.01722	1.1
72.99302	2.9
73.02529	0.9
73.02943	17.9
74.03292	0.4
75.00842	0.6
79.95737	0.7
80.96523	0.5
81.03453	0.6
83.01383	2.4
85.02947	8.6
85.03453	0.9
87.00879	2.1
89.02439	100.0
90.02752	2.1
90.12418	0.4
95.01373	2.2
96.96004	3.4
97.02946	1.3
99.00877	26.6
99.08154	1.6
100.01146	0.5
101.02436	40.1
101.96801	0.4
102.02774	0.8
113.02440	16.1
114.02834	0.4
115.04021	1.3
119.03490	15.2
120.30844	0.4
120.99670	0.5
125.02436	5.0
131.03493	18.1
132.03854	0.7
143.03473	4.1
145.08704	3.2
149.04544	53.2
150.04883	1.9
161.04546	4.6
179.05568	8.5
191.05588	12.9
192.05917	0.5
221.06604	2.6
228.33159	0.4
233.06633	1.4
241.00385	0.4
251.07700	4.2
261.13367	2.0
275.07648	0.5
293.08643	1.1
307.13989	0.5
349.14984	7.3
350.15247	0.9
393.08136	2.4
393.17587	34.0
394.07120	0.6
394.17892	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	393.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01131	1.8
59.01372	18.9
59.09440	1.6
61.98814	3.3
71.62301	2.5
71.66815	1.7
75.00868	28.0
75.29099	1.5
78.95901	24.5
82.93078	1.5
90.97155	1.8
91.37165	1.9
93.03418	1.7
95.05013	5.8
96.96001	3.8
96.96966	31.4
132.98138	2.1
152.99585	21.5
153.55374	1.7
171.10272	29.1
174.99213	3.9
185.02258	1.7
266.75577	1.5
267.08975	2.2
269.06958	6.0
277.21725	29.9
278.21948	3.1
293.07187	1.7
295.22766	100.0
296.23169	12.5
346.80002	1.8
347.15424	2.7
349.16934	5.7
351.18317	1.7
393.19434	76.7
394.19904	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03446	9.3
59.01376	4.9
61.81551	0.6
61.98824	0.6
65.91606	0.7
67.01876	1.2
68.99800	2.1
69.03448	9.0
71.01373	10.5
71.17961	1.5
72.99301	6.0
73.02950	1.3
83.01383	2.9
85.02943	21.6
87.00871	9.9
87.04494	2.5
89.02457	1.6
96.96004	2.4
97.02946	15.0
99.00872	4.4
101.02386	1.2
103.03969	1.0
109.02937	4.7
111.00864	2.2
111.08147	2.5
113.02434	3.1
115.03953	4.1
129.01926	12.6
135.04613	0.7
137.02438	0.6
137.09708	1.2
139.11279	51.1
140.11613	2.4
141.01926	9.9
147.04475	2.1
157.12253	1.1
159.03099	1.4
159.04483	6.8
178.99890	1.9
183.10242	21.3
184.10590	1.6
191.05617	11.2
201.11298	62.3
202.11665	4.4
205.92604	0.6
209.06625	1.7
243.47372	0.6
262.84689	0.7
269.08112	2.7
299.41220	0.6
313.03510	1.5
343.13797	1.1
393.17593	100.0
394.17905	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	393.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.27190	0.5
57.03448	0.8
58.00591	3.2
59.01376	85.5
60.01715	0.8
69.03450	0.9
70.17742	1.1
70.18140	0.7
70.81786	0.4
71.01379	61.6
72.01722	1.1
72.99302	2.9
73.02529	0.9
73.02943	17.9
74.03292	0.4
75.00842	0.6
79.95737	0.7
80.96523	0.5
81.03453	0.6
83.01383	2.4
85.02947	8.6
85.03453	0.9
87.00879	2.1
89.02439	100.0
90.02752	2.1
90.12418	0.4
95.01373	2.2
96.96004	3.4
97.02946	1.3
99.00877	26.6
99.08154	1.6
100.01146	0.5
101.02436	40.1
101.96801	0.4
102.02774	0.8
113.02440	16.1
114.02834	0.4
115.04021	1.3
119.03490	15.2
120.30844	0.4
120.99670	0.5
125.02436	5.0
131.03493	18.1
132.03854	0.7
143.03473	4.1
145.08704	3.2
149.04544	53.2
150.04883	1.9
161.04546	4.6
179.05568	8.5
191.05588	12.9
192.05917	0.5
221.06604	2.6
228.33159	0.4
233.06633	1.4
241.00385	0.4
251.07700	4.2
261.13367	2.0
275.07648	0.5
293.08643	1.1
307.13989	0.5
349.14984	7.3
350.15247	0.9
393.08136	2.4
393.17587	34.0
394.07120	0.6
394.17892	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	393.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36581	1.7
57.03423	2.0
57.96082	1.6
59.01377	87.3
60.01693	2.1
60.85278	1.5
61.98818	4.5
71.01378	36.6
71.62837	1.5
71.63229	1.5
72.99290	1.9
73.02941	29.0
75.00880	2.1
83.01367	6.5
85.02922	7.1
87.00854	5.2
89.02448	29.9
95.01397	3.4
96.96021	9.0
99.00851	4.6
99.08149	21.8
101.02435	29.7
113.02441	10.9
119.03491	8.0
120.99637	4.9
121.02921	4.8
122.03710	4.4
123.00873	4.1
127.07648	7.2
131.03474	2.6
135.04408	1.7
141.09163	2.2
145.08702	53.5
146.09012	2.9
149.02396	6.4
149.04546	6.6
150.03209	34.4
151.11281	4.2
153.05591	2.3
161.02393	1.8
161.04521	3.9
165.05557	33.1
166.99846	5.0
169.12337	23.0
169.62814	1.7
179.05580	2.6
180.04211	1.5
182.02165	11.5
191.05537	2.1
195.06599	15.4
197.04538	21.7
198.00537	1.7
201.38396	1.6
209.06573	2.2
213.11287	32.9
241.00122	2.6
300.66711	1.6
307.13995	13.5
307.83398	1.6
345.09613	2.0
349.14978	100.0
350.15384	10.3
350.19980	1.3
362.30374	1.7
393.08124	2.9
393.12567	3.6
393.17154	20.8
393.22217	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	393.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.55165	0.3
56.82156	0.3
57.03429	0.3
59.01375	27.8
60.01711	0.4
68.78470	0.3
70.19998	1.5
71.01381	4.0
72.72151	0.3
72.99284	0.7
73.02938	1.0
79.95724	7.9
79.96192	0.6
80.96513	5.1
83.01384	1.2
85.02959	2.4
87.00871	3.3
89.02458	0.6
91.01898	2.5
91.41400	0.3
93.03468	2.3
93.51156	0.3
95.01378	0.7
96.96004	72.3
99.00896	0.3
101.02427	5.7
104.84412	0.3
107.05008	1.0
109.68380	0.4
113.02435	2.7
119.01381	1.3
121.02939	4.0
122.97600	0.6
134.03720	1.4
136.01624	0.6
137.96222	0.5
138.97076	4.2
143.03488	0.4
149.02391	0.6
149.06050	0.6
150.97041	1.9
151.03993	24.2
152.04366	1.1
161.04643	0.5
166.96504	1.2
175.03920	0.4
178.02678	0.9
180.98093	0.9
193.05049	3.8
195.06654	0.4
201.11285	0.7
208.94255	0.3
238.98248	0.3
241.00208	100.0
242.00496	4.1
243.61055	0.3
252.89664	0.3
333.15332	0.8
355.10413	0.7
390.04227	0.4
393.04752	4.0
393.08786	4.2
393.17606	1.3
394.04486	0.6
394.09140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
67.21203	0.3
71.01379	1.2
71.19827	0.6
72.99294	0.5
73.02969	0.4
79.95730	3.2
80.96514	2.7
83.01426	0.3
85.02951	0.5
87.00896	1.1
96.96004	100.0
97.95960	0.8
99.00860	0.3
101.02451	1.3
105.84980	0.3
113.02443	0.6
138.97063	0.9
150.97043	0.4
151.04019	1.0
165.05527	1.0
166.96599	0.6
193.05081	0.3
222.99065	0.6
241.00211	45.5
242.00522	1.7
309.49567	0.3
361.02319	1.2
393.04807	42.4
394.05112	4.1
394.09412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36581	1.7
57.03423	2.0
57.96082	1.6
59.01377	87.3
60.01693	2.1
60.85278	1.5
61.98818	4.5
71.01378	36.6
71.62837	1.5
71.63229	1.5
72.99290	1.9
73.02941	29.0
75.00880	2.1
83.01367	6.5
85.02922	7.1
87.00854	5.2
89.02448	29.9
95.01397	3.4
96.96021	9.0
99.00851	4.6
99.08149	21.8
101.02435	29.7
113.02441	10.9
119.03491	8.0
120.99637	4.9
121.02921	4.8
122.03710	4.4
123.00873	4.1
127.07648	7.2
131.03474	2.6
135.04408	1.7
141.09163	2.2
145.08702	53.5
146.09012	2.9
149.02396	6.4
149.04546	6.6
150.03209	34.4
151.11281	4.2
153.05591	2.3
161.02393	1.8
161.04521	3.9
165.05557	33.1
166.99846	5.0
169.12337	23.0
169.62814	1.7
179.05580	2.6
180.04211	1.5
182.02165	11.5
191.05537	2.1
195.06599	15.4
197.04538	21.7
198.00537	1.7
201.38396	1.6
209.06573	2.2
213.11287	32.9
241.00122	2.6
300.66711	1.6
307.13995	13.5
307.83398	1.6
345.09613	2.0
349.14978	100.0
350.15384	10.3
350.19980	1.3
362.30374	1.7
393.08124	2.9
393.12567	3.6
393.17154	20.8
393.22217	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	392.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50426	0.2
58.02964	0.6
58.24576	0.1
59.01365	0.5
61.98823	0.3
65.02422	0.1
69.52788	0.9
75.04008	0.1
82.06613	0.4
83.33701	0.2
84.08196	0.2
97.77586	0.2
100.13951	0.2
102.42434	0.2
116.92879	0.8
116.97282	0.2
118.92099	0.2
128.10814	1.7
130.08731	100.0
131.09068	3.1
140.10815	0.3
153.61119	0.1
166.48584	0.1
178.15813	0.2
190.04359	0.1
253.21822	0.3
256.23608	0.5
311.17566	0.5
348.32669	1.1
392.31686	58.3
393.32043	7.9
393.36353	0.1
393.37503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01375	4.3
65.00323	0.5
71.01373	4.1
71.63219	0.7
72.99298	1.8
73.02948	0.5
75.00871	1.4
78.95902	1.8
79.95731	19.0
80.96503	3.8
83.01391	0.9
85.02950	2.1
87.00845	1.4
87.04489	0.6
89.02441	0.4
91.85999	0.6
95.01356	0.6
95.95223	12.4
96.96002	100.0
97.48158	0.5
98.95591	1.5
99.00853	0.8
101.02449	1.7
110.97577	7.4
111.00895	1.0
113.02427	1.5
117.05542	0.9
122.97594	1.3
123.37797	0.4
129.01910	1.1
135.00858	0.8
138.97060	2.1
141.27534	0.4
148.01668	1.3
150.97079	2.3
152.98491	0.6
154.09694	0.5
163.00337	5.8
164.98509	0.9
166.43527	0.5
170.03712	1.0
173.02454	0.6
177.04053	4.6
180.98149	0.7
188.51253	0.5
197.02396	3.9
198.03210	5.2
199.03558	0.6
201.01912	0.6
209.06129	0.7
213.00804	0.7
214.02672	3.9
225.00757	2.0
226.02710	0.7
227.07561	0.6
233.07578	0.7
238.98759	0.7
241.00005	3.6
242.02249	4.4
246.08243	0.6
253.01369	0.8
253.05026	2.2
256.99741	4.7
263.07654	0.7
269.00864	21.5
269.03769	1.0
270.01340	2.9
281.01727	0.3
281.04489	10.1
282.04910	0.8
297.00275	2.7
298.01144	57.2
299.01416	5.0
313.03546	87.6
313.07080	10.5
314.03940	7.8
314.07535	1.2
363.07425	0.7
392.14163	3.1
392.64398	7.6
392.99078	4.5
393.12170	64.2
393.19086	2.8
393.64151	1.6
394.12762	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	393.0284
Annotation	Kaempferol 7,4'-dimethyl ether 3-O-sulfate
Peak:m/z	Relative Intensity
50.40026	0.4
57.03426	0.5
59.01378	2.2
59.80111	0.4
61.98819	0.9
65.00307	0.8
65.92076	0.5
70.07764	1.8
71.01379	0.6
72.99281	0.8
75.00855	1.1
79.95731	2.3
80.96496	0.6
85.02937	0.9
95.95194	0.5
96.95431	0.6
96.95999	7.7
106.01136	0.4
124.46338	0.5
136.98833	2.3
138.97063	0.7
143.04967	0.5
146.70673	0.5
167.04976	0.5
183.04468	4.3
184.04840	0.5
195.04347	0.9
211.04012	9.4
211.13254	0.7
212.04269	0.9
225.05421	0.6
227.03445	1.6
227.07567	1.1
239.03464	4.9
241.00124	0.6
242.05827	0.6
246.08292	1.1
255.02953	14.8
256.03268	1.5
256.99799	1.2
265.01126	0.6
267.03055	3.8
268.11319	0.6
283.02414	8.2
297.03879	0.9
298.04788	89.9
299.05145	7.7
313.07147	100.0
314.07507	10.1
392.66733	0.5
393.02869	8.2
393.12369	0.8
393.65237	0.5
394.03122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1829
Annotation	Asp Ile Phe
Peak:m/z	Relative Intensity
53.09059	0.9
55.01864	1.1
57.03441	1.3
59.01376	18.1
61.98812	3.2
65.37407	0.8
66.85468	1.0
70.02962	4.0
71.01378	10.6
71.63285	1.3
72.99261	0.8
73.02954	1.1
79.95741	2.7
81.02194	4.9
81.04565	1.2
82.06609	3.6
83.01376	1.1
85.02947	4.6
87.00864	1.1
87.05622	1.4
89.02447	4.5
91.05539	1.0
91.43751	0.9
93.03455	4.0
95.02480	1.6
96.00908	45.6
96.96000	14.6
98.02473	33.2
98.95590	1.7
99.00897	1.5
101.02433	6.1
107.05024	2.0
109.01667	1.6
109.02957	1.5
113.02412	3.2
113.03564	23.9
114.01962	1.6
116.05040	1.4
118.06615	1.6
119.03461	2.7
121.02947	3.3
122.03719	2.2
123.00860	3.3
129.01932	1.4
130.08733	49.5
131.05040	8.9
134.03694	1.7
135.04523	2.9
136.03964	0.9
137.02396	3.5
138.03137	1.2
138.09222	13.0
138.10146	1.5
140.07167	1.4
141.10349	1.8
146.06015	1.3
147.04501	1.4
148.05240	3.0
149.02425	4.6
150.03210	19.1
153.05573	2.8
155.10794	4.5
156.11072	4.9
160.01515	0.9
161.02388	2.6
161.03479	2.4
164.07095	1.2
165.05550	21.8
165.10295	1.1
166.08711	3.8
166.99841	3.6
172.07666	1.0
174.05580	3.4
175.03926	1.3
176.04654	1.4
178.05052	1.5
180.04198	1.7
182.02196	6.2
185.46220	0.9
191.05576	1.3
193.05031	2.1
195.06604	12.7
197.04530	12.5
199.09705	3.7
200.07175	15.3
200.10036	5.9
201.07272	1.4
204.08997	3.6
206.63371	0.9
209.06604	2.6
216.13898	11.2
217.09839	1.2
220.08513	1.2
225.11243	1.7
241.00209	1.7
243.07652	1.2
259.14481	6.7
260.12881	13.0
261.08844	1.4
263.08139	2.0
267.15118	1.2
269.16617	3.2
277.15439	3.3
295.14496	4.4
297.09799	1.5
312.12350	4.4
312.26331	1.3
313.15622	2.2
333.11783	1.5
352.11237	1.4
352.62134	1.0
356.21292	2.0
356.25488	4.7
357.14505	100.0
358.14871	11.9
374.17148	45.6
375.17624	6.2
392.07950	5.0
392.18137	10.8
392.27875	0.9
393.08276	2.9
393.21524	9.6
394.76376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.7
61.98824	100.0
63.96010	0.4
66.67060	0.4
69.59438	2.5
72.55326	0.4
75.65964	0.5
77.47543	0.3
91.58353	0.3
160.31339	0.3
187.99081	0.3
209.60100	0.4
223.11621	0.4
240.46904	0.4
298.01343	1.0
313.03503	2.2
348.52512	0.4
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
59.01377	4.7
61.98825	100.0
62.51982	0.8
62.79032	0.9
92.53417	0.9
96.96011	3.6
98.19895	1.7
136.05196	0.8
146.33040	1.0
162.04654	0.9
357.26068	1.4
392.58099	0.9
393.23004	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	391.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.0
61.87868	0.6
62.39619	0.6
69.48129	1.2
69.48524	4.5
73.92233	0.6
78.95883	3.0
79.95728	1.2
82.30822	0.7
96.32908	1.0
96.96010	1.8
97.15827	0.6
152.99579	21.1
177.19658	0.6
255.23265	100.0
256.23596	8.0
265.02094	0.6
270.55612	0.7
391.22247	11.0
391.32211	1.9
392.22766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37316	4.4
59.01373	96.0
69.09592	4.6
71.00433	10.4
120.21327	4.6
127.95770	4.0
152.99574	18.7
255.23268	100.0
256.23557	11.0
371.95547	4.8
378.17456	4.7
391.22418	8.1
391.32196	35.9
392.32364	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	391.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27427	4.1
59.01371	61.5
66.52699	3.9
71.39309	7.2
77.86018	4.2
78.95866	5.6
96.95982	6.3
114.86762	4.1
126.54062	4.3
130.08710	47.9
152.99562	13.5
201.83902	5.9
255.20660	5.7
255.23274	100.0
256.23752	7.0
256.68396	4.4
338.96481	5.2
347.59604	4.8
391.22458	7.2
391.32080	61.1
392.31641	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73675	2.1
59.01377	2.9
61.98824	7.5
66.15072	2.3
69.65776	10.4
82.02977	6.9
96.96003	6.8
100.04048	2.6
110.02475	37.6
111.02008	8.4
122.02422	3.7
124.04022	2.8
130.08704	8.2
140.03510	4.4
148.04376	75.8
149.04538	6.6
152.03508	7.3
163.03963	3.6
171.35728	2.2
180.06627	5.9
193.88866	2.6
200.05644	14.6
201.06062	2.8
220.93530	2.7
223.49820	2.1
243.06198	100.0
243.08344	4.7
244.06522	7.3
271.44400	2.1
291.59906	2.1
318.21600	2.3
333.13095	3.7
336.80118	2.9
393.15143	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	391.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67751	0.9
57.03447	8.6
59.01379	14.3
60.16585	0.8
61.98810	2.6
67.01887	1.0
68.99796	2.4
69.03454	10.8
69.32238	2.2
69.32648	6.7
71.01379	10.7
72.99306	8.0
73.02930	1.7
76.00796	0.8
79.95729	1.9
83.01386	4.5
83.05016	5.4
84.72313	0.8
85.02948	25.8
87.00868	9.2
87.04485	2.2
89.02442	1.4
95.01363	1.6
96.95990	3.1
97.02949	16.1
99.00864	6.6
101.02420	2.2
111.00856	3.5
111.44386	0.8
113.02425	3.8
113.07585	0.8
115.04018	4.1
129.01927	12.8
135.04491	1.2
137.09718	13.9
141.01923	11.3
143.83986	0.9
148.05281	3.9
155.10764	64.3
156.11084	2.7
159.02927	2.4
161.27371	0.9
173.04507	1.0
178.05055	1.8
181.08708	4.4
191.05614	13.7
199.09741	56.6
200.10072	3.6
209.06581	5.0
248.70728	1.1
268.88104	0.9
297.10153	1.2
312.12231	6.7
373.14954	1.3
391.16016	100.0
392.08264	4.5
392.16193	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	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14311	2.8
52.24892	3.2
57.29929	3.1
59.01376	100.0
61.98825	11.7
71.01369	5.2
71.62471	4.1
85.98844	3.1
89.02446	3.5
95.05016	3.7
119.08659	13.0
132.94078	3.7
137.09685	21.8
137.97598	3.3
171.10242	62.4
176.35553	3.6
185.11807	12.4
193.08495	5.3
197.11798	6.5
199.28755	3.3
207.09998	72.3
208.10251	4.7
219.09982	7.8
245.19130	5.6
250.36079	3.5
253.09366	6.8
267.11014	3.5
273.18683	4.2
287.15927	3.7
291.19653	27.8
309.20667	74.7
310.21082	8.6
313.17819	64.5
314.18198	6.8
331.15048	5.4
331.18765	7.0
367.89584	3.5
390.71756	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	391.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11997	2.6
59.01374	99.1
59.53657	2.6
67.00402	2.9
71.01382	3.6
71.05019	2.9
71.62293	3.3
72.46626	2.7
75.00870	10.2
76.27083	2.8
78.95906	5.6
80.02670	5.9
81.03471	4.7
83.05022	20.9
84.02158	4.3
89.10715	3.1
93.03499	2.8
95.05004	6.8
96.96954	9.7
97.87443	2.9
121.10219	5.9
125.09706	3.6
127.11324	3.7
137.09702	44.8
139.11267	12.0
151.11226	4.6
153.09198	5.1
155.10753	22.8
161.02403	4.1
171.10260	40.5
193.08432	17.7
193.12305	14.8
207.09987	7.1
220.74852	3.1
233.11530	6.0
247.20561	4.7
263.20248	4.8
269.07077	5.6
275.20209	16.9
291.19635	43.3
292.19839	3.5
293.21033	17.6
309.20691	93.4
310.21030	12.0
319.18774	12.3
331.18893	100.0
332.19144	11.0
391.17639	29.8
392.18390	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	391.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91178	2.8
57.03441	3.9
59.01372	69.0
61.80412	3.1
61.98816	13.5
69.03454	4.9
71.01365	4.0
71.41296	5.1
96.96003	5.2
101.02419	3.5
108.31153	3.0
119.08657	13.7
121.10177	5.6
123.13179	3.1
137.09691	20.2
139.11292	5.1
143.13228	3.1
171.10263	57.0
179.10521	4.5
183.10188	3.9
185.11781	15.3
193.08421	5.7
201.11247	5.7
207.10004	79.1
229.11516	2.9
233.11601	4.7
245.19092	7.4
248.18463	3.0
273.18665	5.6
291.19748	16.2
295.16666	5.4
309.20676	100.0
310.21048	4.9
313.17825	84.4
314.18152	9.7
315.70175	3.8
331.18030	5.9
391.20520	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	391.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41196	1.8
57.03429	1.6
59.01375	22.6
59.43889	2.0
61.98841	2.7
63.96231	3.6
69.03451	2.0
71.01361	6.6
71.62939	2.8
72.99306	3.9
74.99133	1.7
81.22021	1.7
85.02949	3.1
89.02436	3.5
96.96000	6.7
108.02153	7.0
109.02969	2.9
112.21365	2.1
119.03490	2.0
120.99644	3.1
121.02941	5.2
123.04537	6.8
129.10341	3.0
135.04518	15.0
135.98375	6.8
136.01628	2.1
136.05295	4.1
136.99190	2.3
137.02466	1.8
138.03214	4.0
145.02956	3.0
149.02400	5.2
150.03214	6.7
151.03906	2.3
162.03201	2.4
163.03995	29.7
164.04768	32.6
165.05411	3.2
167.03453	1.9
175.03934	3.7
176.04742	6.9
177.05568	2.1
178.02733	3.2
178.06325	3.7
179.07193	4.2
191.03485	7.2
191.05547	2.3
192.04259	17.8
193.04895	4.1
196.03796	4.6
199.09801	2.3
204.04242	3.8
206.05853	3.7
207.06610	61.5
208.06993	3.5
210.05241	4.5
211.04048	1.9
211.07603	4.2
212.04716	3.3
213.77193	1.7
219.06599	9.3
224.04845	2.7
225.05569	2.3
226.06372	2.5
227.07118	3.1
235.03958	2.0
237.05295	2.7
237.07631	2.8
238.06261	2.6
239.03273	2.8
239.07124	8.0
240.04236	39.5
241.04945	5.2
249.05627	2.5
252.04216	5.1
254.05714	4.3
255.02966	2.9
255.06557	7.9
256.07233	2.0
265.04959	3.0
266.05658	3.9
267.06595	19.2
268.06946	3.0
269.04410	2.0
269.08105	3.3
270.05206	4.6
270.08731	3.7
271.15677	1.8
277.05017	2.1
279.06638	2.4
280.07404	3.4
283.06183	15.4
283.09183	2.5
284.06491	3.5
285.07532	4.6
294.08853	2.0
295.06061	52.3
296.06476	4.4
297.07532	2.1
298.05115	3.6
298.08441	36.1
299.09048	6.1
300.09958	3.6
309.07800	2.3
310.08380	33.5
311.08679	3.0
313.07111	14.9
313.10791	54.5
314.11078	5.5
322.73557	1.8
325.07291	2.1
325.10739	54.1
326.11084	5.1
328.05997	2.5
328.09442	11.6
340.09256	2.2
343.11826	100.0
344.12183	9.9
355.11484	1.7
361.12888	27.6
362.13071	3.0
372.48074	1.6
373.12851	22.9
374.13181	3.6
391.14221	5.4
391.19293	12.9
392.13565	2.1
392.18091	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98825	100.0
64.58376	0.4
70.46902	0.9
70.47270	1.0
73.49003	0.5
82.97870	0.4
126.32638	0.4
171.10612	0.4
269.00980	0.5
373.46622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67630	0.2
58.02967	0.7
59.01372	2.7
61.98837	0.4
69.57207	1.8
72.89403	0.3
74.88258	0.3
78.28613	0.2
82.06622	0.3
93.22749	0.2
96.95972	0.3
100.21457	0.2
128.10773	1.5
130.08727	100.0
131.09077	3.2
153.02068	0.3
173.54013	0.3
175.86470	0.3
194.85303	0.3
233.90968	0.3
250.41434	0.3
284.05142	0.3
346.31238	0.5
390.30090	59.1
391.30432	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	390.3012
Annotation	Palmitoyl dopamine
Peak:m/z	Relative Intensity
55.12408	0.2
59.01376	2.4
61.98829	0.4
69.60340	1.4
81.03458	0.6
82.93346	0.2
91.05552	0.8
93.03457	1.4
95.01376	0.2
95.05022	3.1
106.94890	0.2
107.05027	1.7
108.02162	1.4
109.02963	0.6
121.02962	0.7
122.03736	4.9
123.04519	58.4
124.01679	0.5
124.04842	2.3
135.04510	4.0
135.05481	0.4
137.02423	1.1
152.07153	1.4
154.02718	0.8
251.05853	0.2
254.24857	4.2
255.25240	0.3
298.24014	0.4
330.18573	0.2
390.30103	100.0
391.30536	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	391.103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03161	1.1
59.01142	1.1
59.01377	16.0
61.98826	7.5
69.46587	7.7
71.01366	4.2
74.02485	1.0
77.48779	1.3
78.95888	2.5
83.01380	1.2
85.02940	1.9
87.00832	1.0
89.02434	2.6
91.01871	1.5
93.03439	3.2
93.33906	1.2
95.05003	1.4
96.96012	9.7
96.96945	4.1
99.00782	1.0
101.02423	1.8
108.02166	33.8
113.02430	1.3
119.03454	1.3
121.02929	5.9
122.03740	13.5
123.00925	1.6
123.04516	85.2
124.04798	2.0
128.03517	1.5
134.03722	3.2
135.04482	1.6
136.01657	5.6
136.07555	1.1
137.02428	1.7
139.03984	1.4
149.02431	46.9
149.06053	1.4
150.03217	93.6
151.03975	5.6
151.07608	1.6
152.01126	3.7
152.07098	1.5
161.04521	1.5
164.01253	1.0
164.04776	9.0
165.05551	100.0
165.67917	1.1
166.05894	5.6
167.03427	5.9
180.04271	7.9
181.04982	1.0
182.08199	1.3
193.05008	4.1
194.08130	1.6
195.02974	38.3
195.06598	46.3
196.06924	2.6
209.04678	1.6
209.06593	2.8
256.07410	10.8
257.07584	1.8
271.09674	12.4
312.69904	1.1
331.11633	2.2
347.80576	1.0
355.15714	1.6
356.13373	3.2
361.12561	1.4
391.09445	10.7
391.14557	13.9
391.42325	1.0
392.10208	1.8
392.14548	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	389.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71318	1.1
56.29185	1.1
57.03442	1.8
58.00606	1.3
59.01373	100.0
60.01714	1.2
60.55883	1.0
61.98836	2.6
63.76489	1.1
64.54900	1.0
69.49319	8.6
71.01375	33.5
71.01759	1.9
72.99298	1.9
73.02937	9.1
75.00864	3.3
83.01393	4.1
85.02945	12.4
87.00876	2.3
89.02435	20.5
95.01388	3.2
96.95996	2.4
98.20599	1.9
99.00883	3.5
101.02433	26.1
107.31254	1.1
109.02908	2.8
113.02441	12.6
118.80704	1.0
119.03493	10.1
121.02985	1.9
131.03516	2.8
134.03743	3.1
137.02440	22.1
137.06088	3.6
143.03474	1.9
149.04597	2.1
149.06049	3.2
152.04788	21.9
153.05595	2.4
159.02980	2.3
161.04547	7.8
167.07117	24.1
168.07532	1.1
179.03481	2.0
179.05658	2.2
184.03761	2.0
193.05040	1.2
194.05792	2.4
197.04532	2.5
209.08212	3.1
212.06883	16.4
213.28928	1.3
227.09225	52.0
228.09579	3.0
281.56970	1.4
303.84253	1.3
323.14063	1.3
329.12518	5.2
389.10901	2.5
389.14590	40.0
390.14862	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	389.1813
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01871	0.9
57.03447	0.6
58.60077	0.4
59.01376	60.2
60.01714	1.0
71.01376	12.2
72.99316	0.8
73.02930	3.8
79.95724	0.8
82.49618	0.4
83.01389	2.1
85.02946	5.2
86.41573	0.4
87.00889	1.1
89.02437	5.3
89.55754	0.4
95.01405	1.0
95.95221	0.5
96.96014	2.2
98.95561	0.6
99.00879	1.7
101.02439	9.2
111.81174	0.4
113.02425	4.4
119.03495	1.7
126.91862	0.4
128.62344	0.4
129.01816	0.5
134.03732	0.5
149.09709	0.5
161.04552	1.5
165.01913	0.5
189.71667	0.4
209.11667	0.6
227.12875	0.5
256.99655	0.8
329.15759	0.6
371.17072	1.1
389.18106	100.0
390.18457	12.8
394.61673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1967
Annotation	Pregomisin
Peak:m/z	Relative Intensity
57.17653	0.5
57.23531	0.6
59.01369	4.2
61.98838	1.2
68.71929	0.6
70.89415	1.4
77.27795	0.6
96.95982	1.0
105.03455	2.4
110.18049	0.5
117.03453	2.1
121.02934	1.0
132.02158	6.9
133.02960	14.6
134.03737	26.7
135.04527	15.3
137.02385	3.1
139.03983	1.2
147.04478	1.1
148.05296	11.8
149.06027	2.4
160.01648	45.2
161.02412	7.6
175.03995	100.0
176.04305	4.6
177.01915	0.6
178.02686	2.4
179.03488	9.9
179.04945	1.2
183.13910	1.7
191.03491	1.0
193.05066	16.3
193.87927	0.6
194.05402	0.7
195.13875	2.5
199.04234	0.6
213.14960	10.2
246.08949	1.0
259.09711	0.9
287.12933	0.7
307.19006	0.8
357.17032	5.0
358.17511	0.7
389.19662	61.5
390.19983	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	389.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	100.0
68.29547	27.1
71.47377	44.4
89.02460	36.1
130.08731	61.5
233.70306	31.9
251.96165	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	389.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01696	1.2
61.59277	0.8
66.70934	0.9
71.39426	1.1
98.19883	0.9
114.92715	0.8
124.68398	0.7
124.94842	0.8
128.34145	0.9
337.49777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
58.00579	3.8
59.01377	100.0
60.01712	1.7
61.98825	5.7
70.00197	4.2
71.01381	67.3
72.01697	1.1
72.99296	6.0
73.02937	1.9
75.92131	1.0
78.95914	1.1
79.58601	1.2
80.21145	1.0
83.01392	1.8
85.02956	11.6
87.00883	6.2
88.98795	3.5
89.02443	97.9
90.02782	1.1
95.01372	4.2
96.96008	9.1
101.02438	33.1
108.02177	1.0
113.02448	27.1
119.03503	32.4
121.75430	1.0
123.04533	2.5
125.02433	1.3
127.05090	1.2
128.03557	2.7
131.03470	4.0
136.07608	1.3
137.02434	2.7
143.03465	6.0
143.97401	1.0
144.33322	1.2
149.04517	3.2
149.06088	1.6
153.05548	1.8
161.04581	6.5
179.05595	21.3
197.04390	1.2
212.06738	1.5
220.24326	1.3
227.09235	4.6
338.06317	1.0
370.83670	1.3
389.10406	1.7
389.14481	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0875
Annotation	5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
56.16524	0.8
59.01369	7.3
61.98837	5.9
71.01382	1.3
71.22309	0.9
71.22668	2.0
72.99299	1.4
78.95918	1.1
79.95730	2.0
91.65829	0.8
96.96004	4.9
109.20439	0.8
123.00887	2.2
142.06622	14.0
143.06990	12.9
149.02469	1.9
151.97473	1.5
153.99039	2.6
169.01414	2.9
172.01404	0.8
173.02434	2.1
185.02361	1.1
186.03320	1.0
188.04758	4.7
189.01959	2.0
194.99492	0.9
195.02983	1.2
201.02025	4.8
212.01160	4.0
213.01936	8.3
214.02756	5.3
215.03447	2.2
216.04288	4.9
217.01427	3.0
222.02267	6.3
223.02623	6.7
224.01953	1.0
227.03526	2.9
228.04341	1.0
229.01384	23.7
229.05031	2.2
230.01782	2.4
231.02994	2.8
232.03647	1.7
241.01288	1.4
243.03001	2.0
244.03752	16.1
245.00897	5.3
245.04010	0.9
249.07834	1.5
255.02795	1.0
257.00922	4.1
260.03259	3.3
272.03247	22.2
273.00427	3.1
273.03461	2.0
273.18460	1.1
275.05615	1.0
282.98846	1.2
283.53421	1.0
287.05618	20.8
288.02795	1.3
288.05865	1.3
300.02774	1.4
300.99844	11.2
315.05087	1.1
316.02155	7.6
328.99252	7.7
331.04684	1.6
344.01675	19.7
345.02243	2.0
345.20724	1.5
352.28366	0.9
359.04034	54.5
360.04327	6.1
374.06400	95.1
375.06693	9.7
389.08771	100.0
389.19327	2.1
390.09140	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.00057	1.2
61.98827	3.7
69.03451	12.4
71.01379	37.4
72.99295	1.5
73.02929	2.0
77.87440	1.2
83.01377	1.2
85.02939	7.4
89.02437	46.4
94.09076	1.2
95.05020	1.7
96.95994	2.4
101.02443	18.7
108.02146	1.2
110.39678	1.3
113.02439	17.1
115.56879	1.2
119.03488	22.5
121.02940	3.7
121.06573	4.9
123.04494	1.2
131.03465	2.7
134.03769	9.3
139.10254	1.6
143.03490	3.6
149.04761	2.0
149.06050	14.5
152.04709	1.2
161.04558	2.8
165.05569	2.5
175.92664	1.1
179.05566	6.3
195.32962	1.2
197.04529	2.9
209.06773	1.6
229.45763	1.4
289.38721	1.2
329.12354	16.8
345.11914	1.6
389.10641	7.5
389.18509	7.2
394.61472	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01682	1.9
61.98826	24.6
65.17744	0.9
69.41561	7.5
92.92775	1.1
116.85915	1.0
137.66505	1.1
179.03542	0.8
227.40797	0.8
253.21658	8.8
379.79303	0.9
387.29279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.4
61.12198	0.6
62.08844	0.5
69.28835	5.4
72.76014	0.5
72.99293	0.9
75.00897	0.6
75.17121	0.6
79.95726	6.9
80.96522	0.8
82.71252	0.6
95.95264	0.5
96.95992	3.1
101.02453	0.6
113.02434	0.6
142.06612	100.0
143.06944	5.3
158.06131	3.5
161.04494	0.7
222.02277	52.1
223.02579	3.1
238.01749	4.4
266.01279	3.7
281.60825	0.6
312.98920	0.5
334.33197	0.6
387.69586	0.7
388.05002	5.0
389.05304	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01369	5.2
61.98827	100.0
62.34435	0.7
62.52906	0.7
62.80152	0.7
71.01378	5.6
72.99304	25.2
75.00869	22.2
76.39422	0.9
83.01394	1.4
85.02946	8.0
87.00851	1.3
89.02430	0.9
95.01370	1.2
96.96010	2.0
98.19859	2.3
103.00424	1.1
113.02452	4.2
115.00420	1.0
130.99889	2.0
133.01445	0.9
140.01152	1.3
155.03577	1.0
188.76804	0.7
229.43474	0.7
314.04568	1.6
315.04803	0.9
328.18027	0.9
329.06802	1.7
330.07123	1.9
330.17578	29.5
330.67715	12.2
331.17944	0.9
340.73730	0.7
356.93347	0.9
359.17667	1.7
388.17816	13.0
388.68256	6.8
389.19482	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	388.2854
Annotation	NAGABA
Peak:m/z	Relative Intensity
55.20256	0.2
57.01662	0.2
58.02965	1.2
59.01367	0.7
69.61034	1.6
81.03452	0.4
91.05522	0.7
93.03425	1.5
95.01388	0.6
95.05023	2.4
107.05011	1.6
108.02145	1.5
109.02963	0.4
121.02982	0.5
122.03729	5.5
123.04513	59.5
124.01646	0.4
124.04829	2.0
128.10835	0.4
134.03725	0.8
135.04521	4.2
137.02429	0.9
149.85538	0.3
150.05479	0.3
150.33575	0.2
152.07172	1.5
154.02693	0.9
178.05051	0.4
252.23315	1.5
388.28525	100.0
389.28860	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	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.2
59.01377	72.5
60.01713	0.9
69.85408	3.2
71.01375	14.3
72.06172	0.7
72.99290	0.9
76.95493	0.6
83.01379	0.6
85.02938	3.0
89.02434	11.9
95.01366	1.2
98.19839	0.7
101.02444	9.4
113.02451	4.7
119.03501	5.5
146.09433	0.7
147.08125	0.8
158.99167	0.6
159.54434	0.6
163.11282	38.2
164.11575	2.5
387.16556	100.0
388.16907	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	387.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
58.00599	0.9
59.01375	64.5
60.01709	0.9
63.01681	0.5
69.49570	3.2
71.01372	12.8
72.01681	0.4
72.99322	1.2
73.02112	0.4
73.02976	0.6
76.81171	0.4
83.01389	1.0
85.02951	3.6
87.00821	0.4
89.02438	14.7
95.01384	1.0
96.96009	0.9
101.02428	9.7
109.79828	0.5
113.02431	5.0
119.03506	4.7
161.04446	0.6
163.11282	5.5
207.10246	13.0
208.10548	1.0
363.66745	0.5
369.15594	1.0
387.16580	100.0
388.16922	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	387.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	1.1
59.01375	82.0
67.79356	0.9
69.68933	4.6
69.69337	1.8
71.01373	15.1
72.99339	1.4
73.21144	0.8
83.01373	1.6
85.02938	2.4
89.02437	15.6
95.01368	1.5
98.20656	1.3
101.02444	11.6
113.02461	6.7
119.03468	7.3
163.11261	16.1
164.11719	1.2
169.44171	0.9
207.10207	3.1
225.11313	1.2
227.05348	1.0
387.16568	100.0
388.16873	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	387.1656
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01881	2.2
57.03423	1.0
58.00586	1.4
59.01374	100.0
60.01709	1.1
69.03456	3.0
69.59333	5.7
71.01377	49.9
72.01711	1.1
72.99311	2.5
73.02941	76.2
74.03315	1.0
75.00892	0.9
79.95749	0.9
80.96473	0.7
82.18310	0.7
83.01385	19.3
85.02947	7.7
87.00886	3.2
89.02437	12.3
89.02917	1.0
95.01424	2.4
96.24374	0.7
96.95999	10.2
97.02963	1.0
97.67675	0.8
98.19882	1.7
99.00892	2.0
101.02436	59.8
102.02803	1.6
113.02438	14.0
113.03125	1.2
114.02823	1.0
119.03510	3.5
119.08655	1.3
121.03022	1.2
121.10223	10.3
121.11040	1.0
125.02464	2.3
131.03532	3.1
136.01711	2.3
137.02393	1.0
143.03510	3.9
148.04041	11.4
149.02449	1.7
149.04724	5.0
151.04005	4.5
155.03516	1.0
161.04581	9.8
163.04106	2.2
163.06380	7.3
164.04839	1.7
165.09198	19.5
166.02725	1.1
166.09590	1.5
175.00381	1.1
176.01073	3.9
178.06400	1.9
179.07124	1.4
181.05139	2.4
183.10297	2.3
190.02814	1.7
191.03493	12.4
191.05106	1.1
205.05147	1.5
242.19576	1.0
301.16653	1.8
327.14529	4.8
328.36145	0.8
335.75934	0.8
345.15439	10.1
346.15942	1.1
355.10898	2.4
370.12897	22.1
370.17160	1.6
387.16776	67.1
388.17419	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	387.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70897	0.5
55.01871	0.9
58.00592	1.3
59.01374	76.9
60.01718	1.0
69.55213	2.6
69.55644	1.9
71.01376	15.0
73.02892	0.6
83.01364	1.1
85.02953	3.8
89.02438	14.3
89.02987	1.0
95.01371	1.8
96.96011	0.8
101.02435	10.3
113.02451	4.9
119.03476	4.6
147.08191	0.6
163.11266	35.4
164.11615	2.6
207.10365	1.0
209.11816	0.8
211.37411	0.7
230.79550	0.6
296.16397	0.7
350.24146	0.8
387.16577	100.0
388.16956	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	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26334	16.4
55.50845	15.6
59.01371	66.8
61.58261	13.6
61.98829	32.3
69.42000	34.9
69.42416	100.0
91.59747	14.8
98.38966	16.9
131.02475	13.7
141.01683	45.6
196.20901	17.2
217.38072	15.9
222.99870	14.3
294.78586	17.4
304.29031	14.5
351.21506	14.1
387.24280	30.5
403.84341	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	387.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01685	0.8
68.01112	0.9
69.64412	5.7
84.95660	0.8
221.18214	0.9
224.53146	0.8
312.67462	0.9
401.30804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1558
Annotation	GS-3
Peak:m/z	Relative Intensity
55.26554	0.5
57.03431	0.4
57.46852	0.5
59.01373	4.6
61.98830	3.2
62.65504	0.4
69.73786	1.9
69.76765	0.4
71.01361	1.3
73.02931	0.7
75.00838	0.5
79.95728	0.6
80.78166	0.4
84.02126	0.4
85.02946	0.7
88.59752	0.4
89.02455	0.7
89.80840	0.4
92.05042	0.5
94.06609	1.7
96.96002	7.4
98.20596	0.6
99.00815	0.5
101.02428	1.1
104.05014	0.6
107.03763	9.7
108.02193	0.7
109.02901	0.7
113.02481	0.6
120.04526	1.5
121.05327	0.7
121.47718	0.4
122.06112	49.9
123.06435	2.0
130.02994	2.9
131.03746	5.0
132.04550	10.5
134.03735	1.1
134.06097	1.8
136.01651	0.7
137.02414	1.9
139.02716	3.0
144.04520	0.6
146.06065	3.0
147.03226	1.1
147.04497	0.6
148.04018	1.5
148.05110	0.4
149.06042	0.5
152.07158	100.0
153.05621	0.5
153.07510	4.7
158.02467	11.8
159.02840	0.9
160.04012	2.5
161.02428	1.0
162.05569	5.0
163.03989	0.8
164.07144	0.7
166.05103	0.7
175.02676	0.5
176.03488	1.8
177.05569	1.1
178.02719	1.5
179.03479	0.7
190.05078	51.7
191.05446	3.3
192.06660	1.4
192.71021	0.4
193.05002	1.8
193.59120	0.4
195.10277	0.8
203.07187	0.8
204.06630	0.4
221.08275	0.7
222.07689	41.3
223.07986	2.2
223.49118	0.5
225.14844	0.6
234.07698	1.6
296.11536	0.7
297.12375	0.7
298.08365	0.7
313.10913	1.7
314.11136	0.5
343.12115	0.5
355.13013	4.0
359.16141	1.4
387.15671	88.6
388.15887	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	387.1446
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
50.63520	1.9
57.03437	3.0
59.01377	26.2
61.98832	7.8
69.26062	21.8
71.01360	11.2
72.99295	2.9
75.92170	2.1
78.25781	1.9
79.95728	4.4
83.01382	2.2
85.02946	6.1
87.00841	3.0
89.02451	5.2
96.96000	32.7
99.00842	3.8
101.02450	6.8
109.02905	11.9
110.87640	2.1
111.00849	3.3
113.02422	5.0
122.03705	2.4
122.06101	6.9
123.00893	6.1
127.05128	9.4
129.10333	2.3
130.08742	3.5
131.05067	2.9
134.03787	3.7
135.04500	2.7
136.01637	5.6
137.02435	100.0
138.03261	12.9
139.03923	2.9
145.02962	4.5
146.03719	6.1
147.04550	14.9
148.05272	9.3
149.06116	10.8
150.03204	5.1
151.00369	2.4
151.03986	4.1
152.07166	13.2
153.05560	21.6
158.03728	2.8
159.04492	20.8
160.01694	2.1
160.05283	17.1
161.02425	10.6
161.06035	9.1
162.03232	6.5
163.03960	3.5
164.07143	10.7
165.01897	7.8
165.05423	2.5
166.02657	3.5
173.02415	7.1
173.05980	2.4
174.03207	8.9
175.03969	6.0
175.07649	7.2
176.04762	7.1
177.05559	87.9
178.06337	23.1
179.06978	3.2
180.04253	6.3
181.05011	3.7
187.04039	11.1
188.04759	15.2
189.05537	3.7
190.05077	5.7
191.03523	10.4
191.05434	3.3
191.07117	25.0
192.04268	3.9
192.07892	8.9
193.05028	2.4
195.06624	3.7
195.10265	4.5
197.06139	2.9
203.07120	73.6
204.07440	4.0
205.05072	6.3
206.05811	17.7
210.05286	7.8
219.06647	5.7
220.07472	5.1
221.08183	75.7
222.08385	4.7
222.12428	13.3
223.10811	8.6
224.06917	24.3
237.05466	3.1
238.06558	2.3
240.13466	2.9
255.06728	2.9
257.09360	3.5
266.05725	3.1
268.07196	3.4
277.04968	2.5
282.05423	6.2
283.06079	16.6
295.06100	3.8
297.07831	2.8
298.08466	13.9
299.09152	2.8
299.12698	3.7
312.09976	5.7
313.07434	2.2
313.10782	57.2
314.11151	7.0
318.94690	2.3
321.07758	2.4
324.06442	3.1
325.10852	2.6
327.08908	2.6
339.08810	7.6
341.13773	2.1
342.10712	2.1
343.11874	20.9
344.20026	3.0
354.11063	5.4
357.13397	15.5
358.13742	2.5
369.13361	26.8
370.13730	4.5
372.11795	2.6
387.14844	39.0
387.23950	2.9
388.14850	3.3
388.18875	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1082
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
59.01378	4.5
61.98842	0.6
65.00320	0.9
70.26212	1.3
70.26572	1.2
71.01363	2.0
73.02932	1.2
77.07108	0.6
77.73219	0.5
79.95715	0.9
85.02926	1.2
88.84348	0.6
89.02422	0.8
89.03944	0.6
91.01879	4.3
96.96001	5.0
96.99309	6.0
98.19959	0.7
101.02401	1.3
108.02151	1.4
109.02948	4.7
113.02417	0.8
117.03450	2.6
121.02890	1.6
123.04521	8.0
129.75214	0.6
134.03728	27.1
135.04399	1.8
137.02391	1.7
145.02933	4.2
146.03717	11.8
147.04520	4.7
148.01692	1.4
148.05225	1.5
149.02287	0.6
149.06050	3.1
151.27852	0.8
153.05562	1.2
158.03714	6.5
159.03172	0.8
159.04501	15.3
160.01637	1.3
160.05032	1.0
161.06064	5.6
163.03958	2.5
173.02364	0.5
173.06020	5.4
174.03162	0.5
175.03949	1.6
177.05460	2.4
178.02664	2.9
187.03905	0.8
187.32103	0.6
191.07118	1.1
193.05042	10.6
194.05670	0.9
195.02902	0.6
203.07036	1.5
206.05798	0.7
207.10240	0.8
221.08084	2.2
239.07066	0.6
241.05025	1.7
249.05548	0.9
250.06325	1.3
256.07376	1.4
265.08615	1.5
266.05823	5.4
267.06549	6.3
268.07199	2.2
269.08124	1.6
271.09750	1.6
277.04938	1.1
278.06131	0.7
280.07248	1.7
281.08188	10.9
282.08908	5.2
283.09570	4.8
284.10489	2.8
294.05103	1.5
295.06091	11.1
296.06393	1.2
297.10962	0.7
309.07516	1.5
310.08386	10.7
311.08765	1.1
325.10770	7.9
339.05087	0.7
343.11707	1.9
354.07288	2.4
357.13452	0.7
369.09735	5.8
387.10724	100.0
388.11108	14.0
410.65497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98251	0.4
70.21151	0.4
70.88176	1.0
74.17183	0.4
88.69968	0.4
96.35584	0.4
100.04037	1.9
127.24701	0.4
148.04373	39.2
149.04742	1.0
237.22157	3.7
253.25342	1.7
266.24811	0.5
280.04086	0.5
280.26425	17.1
281.26797	1.7
294.27969	10.1
295.28268	1.0
308.26016	1.7
338.26984	11.9
338.30920	0.7
339.27264	1.3
342.28375	0.9
386.27301	100.0
387.27597	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	387.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20887	1.4
55.01864	1.7
57.03442	3.7
58.00579	2.1
59.01377	61.6
59.90894	1.4
60.01712	1.6
61.98829	9.5
63.19749	1.3
63.96247	1.8
67.01863	2.2
68.99801	4.6
69.03442	2.7
71.00986	2.4
71.01374	34.7
71.61987	1.6
72.99295	7.0
73.02935	4.9
74.02469	4.8
75.00861	15.8
79.95713	2.1
80.96494	3.2
81.03464	1.5
83.01377	4.3
85.02950	30.2
87.00864	9.5
87.05627	4.2
88.04026	1.9
88.98784	3.5
89.02441	17.9
90.02857	1.4
91.03955	1.9
93.03454	45.5
95.01382	8.0
96.96002	20.6
98.02486	2.3
98.95561	2.3
99.00888	14.0
101.02448	9.7
103.00396	2.2
107.70722	1.3
109.02927	4.2
111.00857	4.2
113.02441	34.5
114.29091	1.4
115.00374	2.5
116.07214	2.1
117.01917	3.9
119.03452	5.1
120.01209	1.9
121.02929	6.6
121.83417	1.6
121.99932	1.5
122.03695	2.9
123.00890	3.1
123.04498	4.0
124.01627	3.5
125.02421	3.9
127.05051	2.7
128.03532	10.1
129.01921	4.0
129.10338	2.6
130.08736	2.0
136.43221	1.6
137.02431	100.0
138.02754	4.3
143.11958	1.7
145.06168	1.8
147.04448	1.6
149.02443	7.1
150.03200	7.3
151.00311	4.7
151.03860	2.1
152.01091	2.3
153.01918	29.1
153.05562	1.9
162.88547	1.6
163.07622	3.0
163.11293	8.6
165.01874	1.9
165.05563	26.0
168.04265	4.9
175.02473	3.5
177.01692	2.4
178.99805	4.4
179.05615	1.5
181.01413	30.3
183.06622	13.5
192.04240	5.0
195.07681	2.3
197.12865	2.2
207.06596	14.3
207.10127	3.8
209.06566	2.7
211.06097	12.4
215.11641	1.5
225.07620	14.0
231.04980	3.5
238.98657	2.4
241.00142	4.2
241.11884	2.1
249.06117	53.9
250.06335	1.8
256.99597	5.6
267.07202	50.3
268.07379	1.7
325.09039	2.1
325.22156	1.9
343.06686	4.8
352.14859	2.2
357.21332	4.6
369.08252	3.5
369.17474	2.0
387.09256	88.1
387.16644	31.9
387.22659	4.6
388.09604	8.6
388.17349	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	387.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20473	0.7
54.72618	0.7
57.03447	0.9
58.02974	0.7
59.01376	19.2
61.98824	1.3
68.04036	0.7
69.03452	1.2
69.47618	5.3
71.01371	12.3
72.99277	1.7
73.02943	2.3
79.95744	2.7
80.96513	1.4
83.01412	1.1
85.02943	4.5
87.00858	1.4
89.02444	8.3
89.03953	1.2
95.05016	1.6
96.96004	100.0
97.02980	0.9
99.00861	1.6
99.08148	2.6
101.02437	9.7
109.02943	2.1
110.47281	0.8
113.02429	5.1
117.03466	5.3
119.03472	3.2
121.02912	2.0
121.36030	0.7
129.01936	1.3
134.03731	62.0
135.04044	2.7
137.02437	1.8
138.97028	2.3
145.08701	10.7
146.03714	0.7
147.04547	5.1
148.05284	2.0
149.06084	7.1
151.11252	1.1
159.03035	1.5
159.04448	1.6
161.04524	1.6
161.05957	0.8
162.02206	1.2
163.11230	1.1
178.02710	5.5
180.06732	0.9
191.05504	1.0
193.05035	35.7
194.05354	2.8
195.10172	3.0
203.08153	0.8
203.14334	0.7
209.06522	1.5
225.14796	2.0
241.00197	9.4
245.09137	1.8
250.06134	0.7
259.01260	31.6
260.01498	1.2
268.07300	1.4
283.09525	2.4
284.10110	1.1
299.12683	1.2
307.13992	9.7
343.08240	0.9
343.11792	12.7
344.12216	1.5
387.09586	76.3
387.24170	3.6
388.10220	8.7
388.17157	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	386.117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.4
57.03450	16.9
58.03771	2.6
59.01371	16.2
61.98830	4.0
66.52546	1.9
67.01893	2.4
68.99813	4.1
69.03447	9.1
71.01383	18.6
71.19374	4.1
72.01706	2.5
72.99327	10.4
73.02929	3.0
78.31168	2.1
83.01380	9.0
84.02165	2.5
85.02442	3.2
85.02946	52.0
86.03264	14.4
87.00872	14.6
87.04517	4.2
88.01218	5.9
89.02452	4.2
89.03926	3.0
96.96007	9.7
97.02960	14.9
98.03277	3.7
99.00870	9.7
100.01202	3.0
101.02451	2.8
111.00873	7.2
113.02439	3.1
115.03992	7.0
117.03457	10.7
118.03793	7.8
129.01941	37.6
130.02295	14.2
134.03729	99.8
135.04070	83.1
135.11928	1.9
136.04280	2.3
136.29872	2.1
137.02405	4.2
138.02728	2.2
141.01949	6.3
142.02249	4.4
149.06073	6.2
150.06390	6.5
159.03004	7.2
160.03319	3.4
161.02061	2.8
175.03990	4.2
176.04333	5.4
178.02690	2.9
191.05588	21.4
192.05913	12.8
193.05029	64.8
193.06760	3.1
194.05391	85.4
195.05638	6.9
209.06656	97.9
210.06995	70.2
210.08963	4.9
211.07080	7.6
238.13728	1.9
262.07935	3.3
299.60287	1.9
341.76428	2.2
359.93094	2.5
386.11728	100.0
387.12430	12.2
387.20578	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	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.23570	0.5
59.01382	5.4
61.98819	2.1
70.87077	1.0
70.87409	0.6
71.01376	1.2
79.95737	0.9
89.02438	1.5
89.96691	0.5
90.12121	0.6
91.04025	2.4
96.96019	2.0
121.02914	0.9
122.03760	1.2
125.02470	0.6
126.03194	0.8
134.03726	1.1
136.05260	0.9
167.14406	3.7
193.05093	0.5
193.15944	1.1
207.17482	1.6
209.06732	0.7
223.20647	2.0
233.15480	0.9
245.12535	0.5
249.18600	8.1
250.18826	0.6
256.99884	0.6
267.19623	100.0
268.19943	10.1
275.16495	12.4
276.16760	1.0
293.17560	70.4
294.17856	6.4
294.41388	0.6
311.18622	12.4
312.18756	1.3
324.75159	0.5
345.85986	0.5
367.21188	8.0
368.21545	1.1
384.65427	0.7
385.22272	71.6
386.22650	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	385.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27153	0.7
59.01378	7.2
60.01707	1.0
61.01793	2.1
61.98828	100.0
70.77172	1.4
98.52971	0.9
120.73928	0.9
123.16402	0.7
124.43356	0.8
137.45084	0.9
206.97311	0.9
248.97672	0.8
260.06662	0.8
325.18665	1.1
346.32321	0.9
349.96329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03440	3.0
59.01378	12.8
61.98817	0.8
68.99780	0.9
69.03467	1.4
71.01375	8.8
71.62899	1.1
72.99304	1.6
73.02956	4.0
79.95744	3.3
80.96510	1.1
83.01374	2.1
85.02946	7.2
87.00864	2.0
87.04509	0.9
89.02428	2.0
96.95999	49.4
97.02946	3.0
98.95586	2.5
99.00863	1.7
101.02418	5.1
106.06615	100.0
107.06954	3.7
111.00842	0.9
113.02425	2.9
129.01921	7.5
134.03706	1.1
136.01659	1.7
137.02477	0.8
138.97099	1.4
141.01923	1.5
146.03609	0.7
147.04523	1.2
150.05589	49.3
150.97115	0.7
151.03987	2.4
151.05920	1.6
159.02917	0.9
161.04570	0.8
166.02690	0.7
177.05515	2.0
181.05043	0.8
191.05566	6.3
194.04555	45.6
195.04852	2.2
209.06638	4.9
241.00261	4.6
254.26921	0.7
256.99814	0.8
277.56946	0.7
313.10648	2.8
342.11896	8.0
343.11978	1.1
347.48019	0.8
368.09644	3.0
368.60065	0.8
369.09763	0.9
386.11072	39.5
387.13168	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Axitinib
Peak:m/z	Relative Intensity
55.01878	1.2
55.47665	0.8
57.03434	3.6
58.67904	0.8
59.01374	41.0
61.98815	1.5
67.01912	1.6
68.99815	2.9
69.03440	1.1
69.64094	2.2
69.64508	3.5
71.01377	19.0
72.99303	5.9
73.02937	2.5
75.00867	19.0
75.35181	0.9
79.95749	1.4
81.03471	1.1
83.01371	1.2
85.02431	1.3
85.02943	23.2
87.00864	7.5
89.02439	4.6
91.05520	10.6
93.03432	1.6
95.01380	5.8
96.96003	12.3
99.00876	11.3
101.02449	1.8
103.00362	2.4
106.06628	1.8
109.02937	1.5
111.00880	2.4
113.02444	24.3
115.00397	1.8
117.01937	4.3
129.01942	2.8
134.03734	6.0
135.04523	100.0
136.04855	3.7
150.05580	1.2
157.01392	1.0
157.32831	1.1
175.02470	2.8
187.28740	0.8
189.04100	1.2
191.05586	0.9
193.05020	4.7
209.06721	4.0
231.05148	6.3
232.05399	0.9
249.06117	64.0
250.06444	3.1
271.06360	0.9
289.82196	0.8
301.10818	1.9
322.63062	0.9
367.10199	2.8
385.11407	74.4
386.11636	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	385.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01374	100.0
60.01701	1.2
66.73897	0.5
68.79938	0.5
69.03468	0.7
69.49337	3.5
71.01377	4.0
73.02934	0.5
79.95740	0.7
85.02945	1.6
87.00880	0.6
89.02442	4.2
96.96005	7.4
97.02953	0.9
98.20710	0.6
101.02441	2.3
106.06652	1.3
113.02430	1.0
119.03506	2.2
129.01955	1.5
134.03743	2.8
148.05266	1.3
150.05624	0.8
161.13367	1.0
162.02315	1.6
178.05269	0.7
179.05635	0.8
184.58195	0.7
191.05580	0.8
193.05121	1.8
203.83513	0.5
205.12292	2.4
209.06750	1.8
222.59508	0.7
241.00420	0.5
281.58224	0.6
312.12396	2.5
385.11673	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24374	0.4
59.01375	100.0
60.01709	1.2
71.01364	1.0
71.08372	0.9
73.02943	0.8
89.02470	0.5
91.90496	0.4
96.96000	2.1
113.02483	0.5
123.06024	0.4
134.03728	0.6
158.69287	0.4
162.02322	1.0
175.37915	0.5
193.05075	0.8
209.06712	0.8
235.06107	0.4
241.00020	0.5
241.51833	0.4
258.52255	0.4
385.11746	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19679	1.4
59.01377	100.0
60.01738	1.4
61.98818	2.7
63.83718	1.5
69.46760	12.3
82.12716	1.5
98.20599	2.8
154.00667	1.7
183.32878	1.7
199.13368	3.6
200.13741	3.2
201.13942	2.5
228.55713	1.5
279.23389	7.8
297.24332	45.5
298.24713	4.8
339.25400	26.8
340.25708	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	383.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59113	0.9
59.01366	5.9
61.01801	2.4
61.98828	100.0
67.47653	0.9
69.65508	6.5
70.80919	1.0
72.39217	1.1
72.99273	1.2
84.38905	1.0
98.20638	0.9
127.49487	1.0
148.04037	1.0
167.53537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03421	1.0
59.01367	8.1
61.98822	0.9
69.62700	0.7
71.00620	0.7
71.01379	7.1
71.05008	6.2
71.61785	0.8
71.62154	0.7
72.99312	1.4
73.02934	1.0
79.95731	11.4
80.95548	0.8
80.96508	11.7
81.31033	0.7
83.01378	1.9
83.05011	1.6
85.02943	3.7
87.00867	4.8
89.02425	2.8
94.98043	1.1
95.01376	0.9
96.96004	69.1
98.95585	1.6
99.00852	2.3
99.08149	1.5
101.02435	4.8
102.36757	0.8
103.00359	1.0
109.27158	0.7
111.00876	8.1
113.02417	2.8
115.00380	1.2
115.92069	0.8
119.03486	1.1
120.64964	0.8
120.95992	1.5
120.99629	4.3
122.97588	1.0
125.06016	2.2
129.01944	5.3
134.03700	4.5
134.32321	1.0
137.02409	2.0
137.06023	1.0
138.97043	7.2
143.07126	16.2
150.97049	1.6
154.96484	0.8
159.02924	2.1
161.06044	0.8
163.03845	0.7
164.04742	1.3
166.96487	3.5
181.04985	2.4
190.46246	0.8
193.05032	4.4
209.06566	1.2
221.09579	1.1
223.06075	1.9
238.98616	10.0
241.00208	37.5
242.00586	1.5
256.99695	27.1
259.01202	1.9
291.50259	0.9
384.58377	0.9
385.07932	100.0
386.08237	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49509	1.0
55.01897	1.8
57.03214	1.1
57.03442	11.7
59.01371	6.8
62.28093	1.1
67.01879	1.8
68.99815	2.3
69.03448	5.0
71.01370	12.0
71.18971	1.8
72.99312	5.3
73.02956	1.2
80.72884	1.0
83.01373	4.2
85.02431	2.0
85.02947	38.7
86.03299	1.0
87.00881	9.9
87.04506	2.6
88.20038	1.1
89.02428	2.2
89.03941	2.2
97.02932	8.7
99.00878	9.4
100.25337	1.0
111.00868	3.9
113.02437	2.3
115.04000	5.4
117.03450	6.8
127.08257	1.1
129.01927	28.9
130.02277	1.7
134.03734	100.0
135.04034	5.6
137.02412	3.4
137.55562	1.0
141.01939	5.7
149.06053	8.8
159.03008	7.3
160.01682	3.1
161.68262	1.1
174.78925	1.1
175.03975	2.7
178.02638	1.8
183.30424	1.0
188.20789	1.2
191.05605	18.7
193.05040	75.2
194.05357	4.5
209.06644	82.9
210.06993	2.3
261.07706	1.1
355.55505	1.2
356.91226	1.1
385.06424	2.1
385.11374	42.6
386.11670	8.2
408.91614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.37632	1.0
59.01374	5.9
61.98814	3.6
68.99803	1.5
69.37584	3.7
69.38010	4.8
74.64640	1.0
80.10972	1.2
96.95978	1.7
119.05067	1.0
121.02950	100.0
122.03304	2.4
147.04488	1.7
149.02458	1.3
174.13553	1.0
181.06538	4.2
191.03500	10.8
199.18925	1.4
225.05528	6.7
241.82600	1.1
246.67262	0.9
251.07050	3.5
251.31058	1.0
277.26544	1.0
289.86536	1.3
291.19525	1.5
295.06107	13.7
309.20691	1.3
311.09198	14.2
311.22379	1.4
312.09518	1.6
313.07196	18.1
314.07379	1.9
339.04944	1.6
339.08704	15.4
340.08981	2.3
347.17932	3.2
357.06485	1.2
383.07663	29.3
384.07996	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	383.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46983	0.4
52.63927	0.4
55.13189	0.5
57.03422	0.5
59.01379	1.7
71.01371	2.3
71.07755	1.0
72.99316	0.7
73.02929	0.9
74.01934	0.4
79.23865	0.4
79.90561	0.4
79.95734	20.2
80.96513	6.5
83.01365	0.6
84.67797	0.4
85.02940	1.5
87.00869	1.8
89.02412	0.8
96.96005	90.7
99.00889	0.5
101.02451	2.3
111.00851	1.5
113.02435	1.9
114.37693	0.4
122.97562	1.0
124.14036	0.4
129.01917	0.9
135.04491	1.3
137.96286	1.1
138.97069	5.0
148.61560	0.4
150.97057	1.2
154.15793	0.4
165.00162	1.0
166.96515	0.5
172.18945	0.4
179.03465	1.1
238.98630	2.5
241.00195	11.0
256.99698	3.8
287.26117	0.4
295.10608	0.8
383.10138	100.0
384.10425	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30255	0.4
56.18695	0.4
59.01373	100.0
60.01711	0.8
61.59770	0.4
61.98826	0.9
69.03452	0.5
71.01381	1.6
73.02938	0.4
74.52676	0.4
78.95901	0.5
79.95741	1.5
85.02956	1.1
87.00859	0.7
87.59793	0.4
89.02467	1.1
95.95248	0.6
96.96007	9.2
98.20607	1.1
99.00883	0.6
101.02410	0.7
109.02961	0.6
111.00755	0.4
114.80113	0.4
119.05014	35.6
120.05381	1.5
129.01952	1.1
134.03712	2.3
139.07608	0.7
147.04486	0.5
148.86922	0.4
160.01651	2.0
175.04056	2.6
191.05714	0.4
193.05124	1.7
199.04413	1.1
204.07007	0.5
209.06517	0.4
213.05827	0.6
218.73737	0.4
241.00127	2.1
255.10611	0.7
256.99582	0.5
295.07666	0.8
301.07327	0.4
308.96982	0.4
319.13855	0.6
383.10391	1.1
383.17267	1.0
399.09653	3.6
400.10114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1377
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
54.41854	0.9
58.00579	1.4
58.99585	1.3
59.01375	31.7
63.55783	1.1
64.20903	0.9
69.54803	7.1
69.55124	1.9
70.31130	0.8
71.01372	25.4
72.99310	1.2
73.02941	3.4
76.95397	1.0
85.02946	8.2
86.52458	0.9
87.00870	23.5
87.02728	2.4
87.07072	0.9
89.02433	26.6
96.95993	2.9
99.00848	1.2
101.02435	16.9
113.02437	10.1
115.05847	1.4
119.03491	10.4
131.05385	1.3
133.06918	55.3
134.07254	1.6
135.04485	0.9
143.03514	1.4
161.04507	4.5
165.00148	7.3
179.03513	1.3
183.02690	0.9
193.05060	0.9
203.07428	3.1
203.51993	1.1
249.06099	18.2
295.12271	4.4
296.09509	3.0
367.28485	1.1
377.93976	1.0
383.13782	100.0
384.09760	1.3
384.14194	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	383.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.9
58.99574	1.0
59.01376	43.6
69.58438	5.4
71.01380	25.7
72.37156	0.7
72.99294	1.3
73.02913	1.1
83.01401	1.1
85.02956	4.5
87.00867	5.5
89.02438	32.9
95.01405	2.9
96.96020	1.6
98.19918	1.5
101.02432	17.5
113.02448	11.7
119.03490	11.9
133.06909	1.0
143.03516	1.3
152.56761	0.8
161.04503	1.3
169.50378	0.9
179.05595	1.2
268.86679	0.7
280.65378	0.8
295.12228	4.9
383.13773	100.0
384.14020	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	381.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.4
71.35494	2.3
76.00855	1.0
79.95744	2.2
84.39006	1.2
84.86311	1.0
96.96000	8.4
111.46291	1.1
190.83167	1.4
241.99051	1.2
293.28387	5.2
337.27493	7.4
337.31073	100.0
338.31421	10.9
364.26782	1.2
381.23151	15.2
381.30005	26.2
382.30338	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	381.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18017	0.7
52.16007	0.7
58.11510	0.7
70.02878	2.5
70.22641	0.6
70.41042	0.6
86.07682	0.6
98.20594	0.9
102.46366	0.7
112.45795	0.6
113.05852	0.7
190.90407	0.6
197.07816	0.8
269.78259	0.9
337.31076	100.0
338.31378	12.2
381.30042	69.4
382.30392	11.3
404.76627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1004
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.28873	0.3
57.03434	0.4
59.01377	3.7
60.20465	0.3
61.98827	2.4
66.38808	0.3
71.01379	12.1
71.62131	0.5
72.99310	0.3
73.02953	1.3
78.95893	0.4
79.95752	0.6
80.96518	0.4
83.01382	0.7
85.02953	2.1
87.00871	0.7
87.02723	0.4
89.02429	1.9
91.99435	0.3
92.02533	0.7
93.03445	0.5
95.01396	0.3
96.96004	9.4
98.95608	1.4
99.00877	0.7
100.00385	2.7
101.02431	3.9
103.14376	0.3
104.20882	0.3
104.39063	0.3
107.03629	2.5
113.02451	1.4
115.00365	13.8
119.03629	1.0
119.05009	2.7
120.01161	0.4
123.04558	0.5
131.03433	0.4
133.03934	0.7
134.04720	100.0
135.04494	2.9
135.05269	0.8
135.06683	0.7
148.06451	0.4
148.07718	0.4
149.04613	0.5
160.06209	0.4
161.04500	1.8
162.07843	8.2
162.58566	0.4
163.08028	0.5
188.05745	1.5
206.06805	31.4
207.07152	2.0
220.06113	2.1
232.04697	0.4
241.00198	0.8
250.05821	4.3
251.11333	3.7
266.08893	4.9
267.09265	0.5
292.30865	0.3
325.08966	0.4
382.05225	3.2
382.09958	35.7
383.05194	1.2
383.10165	6.1
383.15482	5.0
383.20642	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	382.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75987	0.6
58.96660	0.6
59.01376	100.0
60.01720	1.1
69.96414	3.6
76.12172	0.7
76.99378	0.7
90.26817	0.6
134.10019	0.6
207.83902	0.6
221.70367	0.7
402.24521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13260	1.0
59.01377	8.7
61.98827	12.4
65.75271	1.1
68.46828	1.0
69.93264	6.2
78.95900	11.9
85.43287	1.2
96.95983	1.2
96.96970	1.5
98.19888	1.3
126.06982	1.0
130.94814	1.0
137.06088	1.1
150.29494	1.1
152.99583	21.9
170.05812	2.7
174.99251	3.1
181.08755	1.3
199.13292	1.5
217.00275	11.8
218.00610	1.1
233.19041	2.2
249.18510	1.3
251.20212	2.8
255.15898	1.3
277.18054	75.1
278.18396	6.6
279.19638	25.2
279.22723	1.4
280.19971	2.5
291.19836	1.1
295.19122	100.0
296.19476	10.1
319.22797	6.7
345.24197	5.8
363.25436	25.1
364.25595	2.7
381.20834	2.7
381.26419	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
63.99782	1.4
66.89524	1.3
71.62496	1.5
79.95733	10.3
95.95262	1.7
96.96003	79.3
103.52994	1.4
122.97549	3.5
123.24820	1.3
149.09715	4.0
154.36917	1.4
160.89603	1.4
162.19646	1.2
163.11275	1.5
199.24100	1.3
201.07893	1.2
216.01346	1.6
216.35420	1.4
253.08922	1.4
267.23300	2.5
280.70853	1.2
319.26340	3.6
337.27341	3.9
337.31192	1.7
381.23114	100.0
381.33560	7.6
382.23529	11.3
382.33997	1.8
403.05481	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.7
69.03444	7.9
70.09232	6.0
70.09638	4.1
79.95728	11.6
80.96534	2.2
93.73317	1.7
96.96007	77.6
97.93140	4.0
112.29781	2.0
114.93382	3.9
122.97514	4.3
128.93837	2.0
149.09799	2.4
283.26440	4.8
291.26718	2.7
293.28461	35.0
293.31476	3.0
294.28796	4.1
296.49475	2.2
309.28104	2.9
310.57169	2.1
316.12720	2.1
337.27466	50.8
337.31036	8.0
338.27795	4.3
381.23160	100.0
381.29846	10.3
382.23468	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	381.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
61.98824	1.6
71.05009	0.5
71.48872	0.3
71.62713	0.4
78.95903	1.5
83.05037	0.3
95.53881	0.3
122.03788	0.3
127.11259	0.9
133.76964	0.2
138.06859	0.6
151.11267	1.1
152.99564	1.9
153.12863	3.7
155.14388	0.6
163.11256	1.3
165.09222	0.3
165.12828	4.3
166.13301	0.4
169.12413	0.2
170.05836	2.8
174.99205	0.3
179.10762	11.8
180.11128	0.8
181.12329	34.4
182.12642	1.6
192.11545	0.6
195.10222	2.4
197.11812	3.2
199.13379	100.0
200.13719	6.6
210.55199	0.3
215.12886	2.6
217.00304	1.7
229.14478	0.3
244.53337	0.3
271.43243	0.3
277.18152	0.4
288.49866	0.4
302.57550	0.3
306.18460	0.3
345.24493	0.4
357.67761	0.3
363.25357	5.7
364.25882	0.8
381.11307	0.5
381.26437	5.0
381.31064	0.4
382.26855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17244	0.3
59.01367	2.5
61.98835	0.8
70.04265	0.9
70.04663	0.5
71.49594	0.4
78.95901	3.4
79.63145	0.3
90.46526	0.3
96.00970	0.3
96.70853	0.3
98.20522	0.5
101.06063	0.5
109.06625	0.7
137.06071	0.7
138.06879	0.6
149.06114	0.9
149.38391	0.3
151.07668	1.2
152.99570	4.3
164.08478	0.5
170.05836	3.9
181.12358	0.4
192.11504	0.7
193.30835	0.4
199.13333	0.4
204.32216	0.4
217.00310	3.2
233.19107	2.2
235.20523	1.6
251.20059	2.6
259.16907	0.5
261.18460	0.7
269.91617	0.3
277.18063	83.0
278.18390	8.0
279.19623	23.8
280.20059	2.4
295.19110	100.0
296.19482	9.5
306.18503	0.4
345.24197	0.5
363.25409	18.1
364.25589	2.7
381.21365	0.7
381.26404	6.8
382.26617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56541	0.7
55.43042	0.5
71.08061	1.4
76.60157	0.7
79.95735	2.5
84.93889	1.3
95.95200	0.7
96.96007	17.5
99.92577	63.4
100.92587	3.4
100.93364	3.7
107.16750	0.5
115.92074	32.7
116.92849	100.0
117.92854	4.8
117.93578	0.9
122.97595	0.7
127.95716	0.7
129.09373	0.7
151.96866	0.6
171.38258	0.6
191.34155	0.6
248.53282	0.7
255.32500	0.6
293.70157	0.6
294.34634	0.6
319.26303	0.9
337.18320	1.6
369.17258	1.2
381.17358	83.4
381.23077	22.5
381.33673	1.5
382.17599	13.3
382.23465	2.6
395.15335	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78854	0.4
59.01376	100.0
59.63992	0.4
60.01711	1.2
71.01395	1.4
71.62359	0.4
71.62720	0.4
75.31116	0.5
85.02966	0.5
88.72596	0.4
96.96014	1.4
101.02469	1.1
109.00127	0.5
113.02467	0.8
131.90274	0.5
216.86818	0.4
217.18457	0.4
217.20656	0.5
345.15674	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	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.3
55.25672	0.5
57.03462	3.3
58.00600	1.0
59.01376	29.5
60.68644	0.6
61.98825	1.0
69.03462	1.1
69.54954	3.9
71.01379	41.8
72.01713	1.0
72.99311	2.4
73.02945	25.5
74.03255	0.6
75.00871	1.7
79.48590	0.6
81.03476	0.7
81.69601	0.6
83.01385	11.5
85.02948	23.7
86.00097	1.0
86.03323	0.8
87.00884	2.2
87.08138	0.9
89.02438	9.0
95.01400	2.3
97.02962	2.3
99.00874	8.7
101.02440	51.3
102.02767	1.3
111.00862	1.5
113.02448	18.8
113.03239	1.0
115.04026	1.2
125.02467	3.2
129.02014	1.1
131.03522	3.1
143.03503	1.7
149.04553	1.4
157.08894	0.8
159.03004	3.6
161.04552	17.7
162.04910	0.8
165.00157	1.1
177.01862	1.2
191.37053	0.7
233.06674	1.8
249.13411	88.3
250.13708	5.8
293.08698	1.0
294.08066	0.8
381.17609	100.0
382.17899	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	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63832	0.4
55.01881	4.7
55.79341	0.4
57.03450	3.4
58.00597	1.4
59.01376	28.4
61.98827	1.0
69.03452	1.3
71.01379	48.1
71.63007	0.6
72.01689	0.5
72.99308	1.8
73.02942	26.6
74.03289	0.5
75.00868	1.9
83.01386	11.0
85.02947	24.3
86.00082	1.4
86.03287	0.7
87.00870	3.5
87.08140	0.9
89.02444	9.7
90.63660	0.4
95.01368	3.2
96.96046	1.1
97.02953	1.9
99.00878	10.9
101.02436	56.2
102.02801	1.4
111.00884	1.9
113.02441	19.3
113.03236	1.0
114.02778	0.6
115.04014	1.6
119.03479	0.5
121.45020	0.4
125.02442	2.5
129.01933	1.2
131.03496	3.0
141.01945	0.5
143.03485	1.9
149.04521	1.3
152.22807	0.5
157.08733	0.7
159.02966	3.7
161.04549	17.2
161.08257	0.5
162.04865	0.5
165.00180	1.2
177.01920	1.4
180.00360	0.5
191.05688	0.6
198.79080	0.5
233.06689	2.2
244.68581	0.5
249.13419	86.5
250.13725	5.6
273.91278	0.5
293.08911	0.6
293.12415	0.5
294.08035	1.3
351.40723	0.5
381.17621	100.0
382.17972	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	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
56.85462	0.9
58.00591	1.8
59.01377	49.8
59.36769	0.8
60.01709	1.3
70.30997	1.6
70.31355	2.0
71.01378	25.6
72.99322	4.0
73.02934	3.6
83.01377	2.6
85.02946	7.5
87.00851	0.8
89.02439	21.0
89.78265	0.8
95.01367	1.5
96.96022	2.1
97.02918	0.9
99.00884	2.5
101.02440	18.2
113.02450	8.6
114.80344	0.8
119.03471	8.5
127.11233	0.8
133.02971	2.5
135.04521	1.3
143.03453	0.8
155.10760	0.9
161.04535	1.8
177.01912	20.4
178.02289	1.4
179.05573	1.6
201.11256	4.2
219.12317	1.8
235.18985	0.8
291.14304	1.5
316.10391	0.8
317.16089	1.8
363.16586	3.3
367.77475	0.8
381.17621	100.0
382.18066	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	381.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	57.5
61.98816	10.7
66.55970	7.4
69.78422	38.8
71.01376	29.2
72.77263	6.5
78.95904	77.0
85.02956	11.1
87.00871	17.4
88.04010	18.0
89.02436	34.4
96.95996	60.6
96.96942	68.9
98.95578	16.2
101.02434	23.1
106.73766	7.6
113.02430	10.1
119.03436	10.7
119.05010	16.7
120.95461	21.0
130.08722	38.5
135.04488	15.1
136.93979	14.7
137.02414	8.7
147.04509	18.9
150.91664	8.2
179.05589	44.1
201.12428	44.4
219.01407	8.1
250.02541	100.0
268.04471	39.4
327.10718	18.7
343.10800	14.6
363.11703	21.5
381.08475	40.2
381.13773	17.2
381.18497	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	381.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97193	0.9
57.03444	5.7
58.00586	1.5
59.01374	53.4
61.98832	9.6
67.01848	0.9
68.99804	2.0
69.03443	6.4
70.05856	3.1
71.01376	28.5
72.99299	7.5
73.02937	3.7
75.00859	1.9
80.91675	2.0
81.03458	1.0
83.01402	5.6
83.05024	8.1
85.02944	23.3
85.06584	3.2
86.02436	1.1
87.00880	8.1
87.04505	2.8
89.02435	19.9
89.03954	2.0
93.03439	18.1
95.01397	2.4
96.95998	8.3
97.02943	13.7
99.00862	5.9
99.08134	1.1
101.02435	14.9
103.03997	1.3
105.01868	1.1
105.03445	3.0
109.06615	1.9
111.00869	3.5
111.04520	6.9
113.02434	10.9
115.03990	4.3
119.03501	7.2
119.94247	1.1
123.00865	1.1
127.07638	52.3
128.07965	2.0
129.01926	15.9
129.05569	54.6
129.09200	1.3
130.05859	1.3
133.02954	9.0
135.04520	4.6
137.02431	42.1
137.03493	2.0
138.03072	1.0
141.01953	9.1
143.03476	1.0
143.07114	1.5
149.02351	1.2
159.00633	1.2
159.02937	3.0
161.04539	3.0
161.06032	1.3
165.00127	2.2
168.04250	2.4
171.06612	6.4
173.06003	1.3
175.06041	1.0
176.01210	1.0
177.01904	96.6
178.02383	2.2
178.05077	11.2
179.05566	1.2
183.06622	6.0
189.07664	36.8
190.08008	2.8
191.05600	11.0
201.09727	1.1
201.11305	3.3
209.06593	6.7
219.01363	2.1
219.12375	2.1
253.09225	1.2
295.11786	3.6
299.07590	3.6
321.05817	2.9
321.11905	2.5
321.15439	4.3
345.11786	2.4
363.12936	4.1
381.08203	9.9
381.13867	100.0
381.17816	32.8
382.07419	1.6
382.14713	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	381.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58428	0.3
59.01390	1.8
68.26237	0.3
69.03474	0.4
69.63430	0.7
69.63831	1.5
71.01383	1.2
72.99310	0.4
79.95733	22.2
80.96526	1.9
81.34227	0.3
82.55585	0.3
83.05019	0.7
83.93893	0.3
91.25185	0.3
95.05069	0.3
95.95252	0.9
96.54033	0.3
96.96005	100.0
97.06604	1.4
97.95970	0.4
98.20599	0.5
98.95625	0.4
99.08170	1.3
110.00104	0.3
115.00361	0.5
127.11261	0.4
129.09233	0.3
130.88545	0.3
130.89552	0.3
133.05067	0.6
139.11278	1.1
143.07149	0.4
148.40498	0.3
155.10762	1.0
163.77724	0.3
171.85161	0.3
181.08710	0.3
183.10260	7.5
184.10670	0.6
201.11285	4.6
229.67616	0.3
234.62628	0.3
241.00179	0.4
256.99774	0.5
265.18021	0.7
283.19159	0.5
286.04721	0.4
301.07135	1.2
301.20187	14.0
302.20474	1.1
321.20761	0.3
343.13763	0.9
362.42261	0.4
380.61606	2.3
381.15842	81.5
381.60559	1.4
382.15833	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	381.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92530	0.6
68.56379	0.7
71.01342	0.7
71.07755	1.4
72.68784	0.6
72.99287	1.1
73.61407	0.6
75.00872	1.5
79.95719	0.9
87.04494	3.8
90.75932	0.7
95.01376	1.1
96.96009	1.4
110.00108	1.5
111.00879	3.6
113.02451	2.0
136.98790	1.3
139.00385	3.2
140.01147	100.0
141.01460	3.8
153.01891	1.6
155.03490	55.6
156.03854	1.9
156.43098	0.8
165.99120	0.9
168.06525	0.7
225.05554	0.7
284.03293	4.7
285.03552	0.9
286.04620	5.1
299.05600	6.5
301.07138	82.3
302.07471	8.4
323.18637	1.2
381.02957	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	381.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07507	0.4
59.01392	0.4
65.00335	0.6
70.53001	0.4
72.99325	0.8
75.00866	0.6
79.95737	0.4
83.42574	0.4
85.02943	0.5
87.04507	4.7
87.88135	0.4
95.01377	0.7
96.02169	0.5
96.96024	2.8
110.00098	1.0
111.00886	3.4
111.04539	0.4
113.02457	1.9
122.32259	0.5
131.47229	0.4
136.98839	1.4
139.00374	3.4
140.01149	100.0
141.01483	4.1
151.90147	0.4
153.01945	0.7
155.03493	60.0
156.03804	2.6
165.99069	0.8
229.71191	0.8
240.04497	0.5
284.03195	2.0
285.03214	0.5
286.04764	3.6
287.13168	0.4
299.05493	2.8
300.06006	0.5
301.07138	94.4
302.07468	9.0
322.68085	0.7
323.18735	0.8
352.31613	0.5
381.02731	2.8
381.12009	2.2
381.19247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42787	0.1
59.01377	1.4
61.01095	0.1
61.98818	0.3
71.62622	0.2
81.03456	0.4
85.02952	0.1
89.03959	1.9
93.03452	0.2
95.05016	0.3
96.96005	1.1
98.95525	0.2
104.02679	0.7
105.02776	0.2
105.03458	3.7
106.03831	0.2
107.01403	0.2
109.02953	0.1
113.02328	0.1
121.02898	0.2
132.15428	0.1
133.02945	10.0
134.03296	0.5
135.04497	0.3
146.39345	0.1
148.01698	0.5
149.02441	1.0
153.01819	0.1
165.00121	0.2
166.13669	0.1
167.87173	0.1
176.01109	1.3
177.01910	100.0
178.02258	5.5
219.82443	0.1
228.89175	0.1
241.00214	0.2
242.00531	0.2
264.08832	0.2
337.13962	0.1
381.08234	8.5
382.08499	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.0
61.98800	0.9
62.68369	0.5
70.66927	1.8
96.95993	1.0
113.29058	0.5
129.36404	0.5
141.12851	0.9
155.10721	3.8
171.10246	5.2
180.64333	0.6
209.17804	0.6
266.01410	0.7
279.23245	9.1
280.23810	0.7
295.22623	0.6
297.24323	100.0
298.24673	11.0
319.22687	2.8
379.24612	29.8
380.24957	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	379.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83055	19.6
50.89832	18.6
55.87303	22.8
59.01377	25.4
61.95031	19.4
61.98833	22.8
69.66900	49.5
69.67320	100.0
102.25797	20.4
104.98789	18.8
114.50684	22.2
168.46948	20.2
255.76628	19.9
280.66763	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2852
Annotation	Persin
Peak:m/z	Relative Intensity
50.48489	0.7
59.01389	1.0
61.98814	1.4
63.12608	0.7
65.64460	0.8
70.52733	2.9
74.51282	0.9
84.73576	0.9
96.96008	2.4
99.92579	2.6
111.99181	0.9
115.92035	1.4
116.92854	3.3
142.47044	0.8
164.94234	0.8
195.14206	0.9
217.89317	0.8
279.23221	1.3
294.08844	1.3
295.08746	2.1
299.22836	0.8
329.10370	1.1
347.25858	9.2
363.15091	3.0
379.28494	100.0
379.81271	0.9
380.28864	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	379.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.0
58.73075	1.7
65.50175	1.9
70.88573	4.2
73.09755	1.8
74.00622	1.8
83.05035	10.3
83.73200	1.8
96.54091	2.0
147.17526	1.8
195.74161	1.8
272.62689	1.8
288.61148	2.2
335.33170	100.0
336.33429	14.6
368.16278	2.2
379.07065	2.5
379.32120	36.2
380.32263	5.1
381.69357	2.1
393.00854	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	380.1557
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01859	0.8
57.68205	0.5
58.00568	0.6
59.01374	17.9
61.98820	3.7
63.99226	0.5
69.63560	3.2
71.01377	30.9
71.05018	5.7
72.01725	0.7
72.99294	0.5
73.02943	1.3
73.04080	0.8
79.72985	0.4
83.01379	0.9
85.02938	3.3
87.00834	1.0
88.04041	5.0
89.02439	8.8
95.01379	0.7
96.96006	1.8
97.02976	0.5
97.79720	0.5
99.00863	0.9
99.04511	2.7
101.02431	8.2
102.96329	0.4
108.52126	0.5
113.02437	3.8
116.03509	0.8
116.07132	1.2
119.03461	2.2
128.03499	1.0
128.07158	2.3
129.05560	1.2
131.01727	0.8
137.02477	0.5
138.77809	0.6
146.08214	57.3
147.08554	2.8
151.03978	0.6
161.04565	1.5
177.01878	2.9
200.09254	0.9
218.10335	1.3
263.11453	0.8
308.13510	4.9
336.05283	0.8
362.14658	1.4
380.15555	100.0
381.15875	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	380.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19305	0.7
59.01380	2.9
59.31381	0.6
61.98825	100.0
62.98528	0.7
70.36852	2.1
78.95903	3.5
85.32835	0.7
103.56088	0.6
152.99590	5.1
174.99199	0.7
182.04021	0.6
217.00273	2.4
218.91656	0.7
235.49188	0.7
277.18213	1.7
295.19116	4.5
380.20358	8.7
381.20547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.7
61.98824	1.5
62.85411	0.8
71.62913	1.3
72.00906	1.2
72.04541	3.3
74.02470	100.0
75.02804	1.4
118.05093	3.7
152.99608	2.2
163.11302	4.3
205.12312	2.4
217.00270	3.4
290.24796	5.7
291.25146	1.2
292.26450	6.4
318.20639	1.0
318.24411	18.6
318.27881	1.5
319.24692	1.7
336.25406	57.2
337.25854	5.5
354.81226	0.9
380.28046	37.3
381.24149	3.6
381.28104	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	380.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82815	0.2
51.87412	0.3
53.98223	0.3
59.01374	100.0
60.01707	1.1
71.62778	0.4
79.22662	0.2
95.10374	0.3
152.99620	0.5
208.49959	0.3
217.00348	0.9
246.06831	0.3
320.26022	0.8
352.68433	0.3
363.16418	0.3
390.68542	0.4
401.00293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.3166
Annotation	Besarhanamide A
Peak:m/z	Relative Intensity
59.01367	0.7
61.98822	1.7
66.27470	0.6
68.99703	0.5
71.62642	0.8
75.42508	0.5
96.96011	1.6
99.14066	0.5
114.09261	0.9
116.07169	100.0
117.07495	2.9
149.09712	1.4
154.16536	0.5
157.08917	0.5
216.35544	0.5
336.32770	4.1
380.31653	70.7
381.23062	2.6
381.28021	1.0
381.32071	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	379.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	0.6
59.01378	72.9
60.01711	1.3
60.99298	2.5
61.98820	0.7
63.42475	0.6
68.43442	0.6
69.03452	13.6
69.48719	4.0
70.02982	0.6
71.01379	9.5
72.99284	0.8
73.02941	5.1
74.02469	1.7
77.65016	0.7
77.70984	0.7
79.95744	0.9
81.27245	0.7
83.01394	2.9
85.02946	7.6
86.00095	0.8
87.00880	0.8
88.98253	1.0
88.98802	13.8
88.99333	1.1
89.02444	2.0
91.86863	0.8
95.01378	1.2
96.96024	4.1
97.02957	2.8
99.00887	5.2
101.02440	12.9
101.06065	0.7
113.02441	4.8
116.05058	1.1
119.03471	0.7
129.01918	0.8
134.03697	1.0
135.04503	1.1
141.01918	1.2
149.33134	0.6
151.10391	0.7
159.02988	0.9
161.02513	0.8
161.04512	3.7
185.00882	7.3
193.05098	0.8
200.41830	0.7
203.08217	0.8
241.00386	1.2
245.09253	3.8
248.71620	0.6
257.23761	0.6
319.17453	3.6
343.24387	0.7
362.19803	0.9
379.10004	2.3
379.19730	100.0
380.20129	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	379.197
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	0.6
59.01378	72.9
60.01711	1.3
60.99298	2.5
61.98820	0.7
63.42475	0.6
68.43442	0.6
69.03452	13.6
69.48719	4.0
70.02982	0.6
71.01379	9.5
72.99284	0.8
73.02941	5.1
74.02469	1.7
77.65016	0.7
77.70984	0.7
79.95744	0.9
81.27245	0.7
83.01394	2.9
85.02946	7.6
86.00095	0.8
87.00880	0.8
88.98253	1.0
88.98802	13.8
88.99333	1.1
89.02444	2.0
91.86863	0.8
95.01378	1.2
96.96024	4.1
97.02957	2.8
99.00887	5.2
101.02440	12.9
101.06065	0.7
113.02441	4.8
116.05058	1.1
119.03471	0.7
129.01918	0.8
134.03697	1.0
135.04503	1.1
141.01918	1.2
149.33134	0.6
151.10391	0.7
159.02988	0.9
161.02513	0.8
161.04512	3.7
185.00882	7.3
193.05098	0.8
200.41830	0.7
203.08217	0.8
241.00386	1.2
245.09253	3.8
248.71620	0.6
257.23761	0.6
319.17453	3.6
343.24387	0.7
362.19803	0.9
379.10004	2.3
379.19730	100.0
380.20129	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	379.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.1
61.98830	4.7
66.99256	2.7
70.69976	3.1
70.70291	6.0
96.96035	7.5
121.10230	4.0
121.62151	2.8
141.71495	2.9
171.10265	36.6
182.49533	2.9
299.05383	2.8
321.03644	4.3
343.24869	100.0
344.25198	11.3
378.79675	3.1
379.21490	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86071	0.5
59.01376	100.0
60.01704	1.9
61.62945	0.6
61.98832	1.4
68.75323	0.5
69.35912	1.3
69.36316	4.0
71.01380	5.4
72.86077	0.6
72.99290	2.9
73.02931	2.6
79.05552	1.2
79.95707	0.6
83.01396	1.5
84.95130	0.7
85.02959	1.3
87.00835	0.5
89.02454	1.6
93.03492	0.7
96.96007	13.9
101.02436	5.3
107.05006	0.8
109.02922	0.5
109.06608	0.7
113.02460	2.3
119.03488	0.9
121.02961	0.6
123.04528	1.3
133.02980	0.6
135.04517	8.0
136.04910	0.6
137.02448	2.2
143.03523	0.8
147.53145	0.6
149.04555	0.7
153.05585	1.5
161.04582	2.3
179.03481	1.4
181.05095	1.9
187.09761	0.7
197.08034	0.5
199.09717	0.7
240.97672	0.8
241.00203	16.4
291.16028	1.1
297.09778	0.8
319.14059	1.1
327.36655	0.6
335.14841	4.5
336.15100	0.8
341.08728	1.7
343.10394	1.2
361.15219	2.9
379.02933	1.0
379.06787	2.4
379.14301	5.5
379.16730	5.6
380.14026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01881	6.8
57.03445	4.7
58.00588	1.6
59.01376	37.7
59.01672	2.3
69.03438	2.4
69.69492	5.9
71.01378	83.1
72.01716	1.2
72.99285	3.1
73.02943	35.6
75.00849	2.4
80.96555	1.0
81.03440	1.2
83.01378	14.1
85.02945	38.9
85.06590	3.2
86.03252	1.8
87.00861	4.3
89.02435	17.4
93.41611	1.0
95.01368	5.7
96.96000	8.8
97.02930	4.4
97.12829	0.8
98.19888	1.8
99.00870	16.0
99.04521	0.8
101.02437	56.2
102.02785	1.3
104.64856	0.8
113.02442	29.8
114.02798	1.4
115.04000	2.6
119.03462	2.0
121.09821	0.9
121.59240	0.8
125.02449	6.3
129.01944	1.3
131.03462	4.6
131.07111	5.4
132.39780	1.0
135.38077	1.0
137.02411	1.0
139.98622	0.9
141.90437	0.9
142.40477	0.9
143.03476	4.1
144.21684	1.0
149.04539	2.8
150.03235	1.1
155.10722	2.2
159.02962	5.1
161.04536	26.2
165.05510	1.4
165.10519	1.1
191.05609	1.4
199.09816	4.8
202.37770	0.9
233.06645	4.5
241.00195	1.9
247.11847	82.7
248.12196	6.5
293.08737	1.3
293.12238	1.1
335.13406	10.1
379.06918	6.0
379.16052	100.0
380.16330	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	379.1576
Annotation	DMH-1
Peak:m/z	Relative Intensity
59.01355	0.8
59.18798	0.6
61.98818	0.7
68.65013	0.6
68.66940	0.6
69.64335	4.4
69.91718	0.6
70.90283	0.7
82.09109	0.7
84.93874	1.0
96.96008	1.6
99.92577	76.3
100.33914	0.6
100.90466	0.7
100.92589	5.6
100.93343	3.2
108.03803	0.8
115.92067	36.9
116.92850	100.0
117.92876	6.5
131.46954	0.6
279.23361	2.1
281.23856	0.8
317.15808	1.1
335.16830	1.6
347.25784	3.4
367.15750	1.5
375.12543	3.1
379.15775	76.0
379.28470	49.3
380.15973	14.0
380.28842	6.8
393.13553	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	379.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.5
59.01364	2.7
59.62332	0.7
62.20315	0.7
67.01886	1.6
68.99807	2.7
69.03451	8.2
71.01379	9.6
72.99299	6.5
75.00880	1.4
79.95742	2.3
80.96535	0.8
83.01363	2.8
85.02948	22.6
86.03234	0.9
87.00868	7.7
87.04514	2.5
88.22923	0.7
89.02422	0.9
94.91536	0.9
95.01368	1.6
96.95986	2.8
97.02950	12.1
97.06591	10.1
98.19907	2.0
99.00876	6.0
110.49025	0.8
111.00845	2.1
113.02428	2.3
115.04028	4.7
123.08163	4.2
125.09717	75.3
126.10054	4.1
129.01930	13.6
141.01932	8.4
143.10759	1.4
159.03018	2.0
169.08633	2.0
172.48555	0.7
187.09737	64.1
188.10091	3.7
191.05574	9.5
201.27849	0.7
209.06641	2.7
238.98589	1.2
254.08072	2.9
256.99637	2.6
302.04590	0.8
344.21091	0.8
379.16031	100.0
379.61420	1.0
380.16354	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	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.1
56.99863	1.1
57.03435	3.4
58.00575	2.1
59.01373	64.6
61.98823	1.9
69.03439	2.6
69.61294	6.1
71.01376	86.6
72.99293	3.7
73.02942	39.3
75.00871	2.3
79.95731	3.5
80.96511	1.8
83.01384	12.4
83.05019	1.5
85.02946	30.3
85.06583	4.6
87.00867	4.0
89.02438	49.3
95.01385	4.7
96.96004	92.5
97.02950	3.7
99.00871	20.9
101.02438	59.3
102.02737	1.7
111.00913	1.2
113.01684	2.5
113.02444	35.5
114.02718	1.3
115.04004	3.4
119.03481	7.5
125.02453	7.6
129.01892	1.2
131.03499	9.4
131.07126	11.0
138.97069	1.3
143.03471	4.6
148.35683	1.0
149.04555	19.3
155.10722	2.3
159.02943	5.4
161.04550	31.5
179.05550	3.0
179.06992	1.1
191.05566	5.5
199.09743	3.4
217.32710	1.1
233.06599	4.8
241.00223	25.5
247.11842	63.8
248.12158	3.9
251.07481	1.4
281.48608	1.2
293.08807	2.8
293.12164	1.9
320.58185	1.2
335.13464	21.1
379.07028	71.6
379.16013	100.0
380.07071	5.7
380.16339	11.7
398.27664	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
60.67437	0.3
61.98823	0.5
69.70364	1.7
71.01369	2.1
79.95729	7.1
80.96482	1.0
83.01390	0.4
85.02952	1.0
86.82683	0.3
89.02441	1.2
90.98587	0.5
95.01338	0.5
96.96003	100.0
97.02965	0.5
97.06585	0.6
97.95940	0.6
98.04060	0.3
98.19927	0.7
101.02434	1.0
113.02470	0.9
120.99631	0.5
129.01915	0.5
139.11215	0.4
158.31908	0.4
183.10257	1.1
201.11275	0.9
241.00142	0.5
254.08073	1.2
256.99762	0.4
284.03302	1.0
299.05673	1.5
299.18613	3.5
300.18774	0.4
378.62717	0.7
379.14301	47.6
379.61499	0.5
380.10776	1.0
380.15155	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	379.0338
Annotation	CHEBI:70616
Peak:m/z	Relative Intensity
51.22034	0.4
59.01138	0.3
59.01384	3.3
59.81109	0.3
61.98829	0.7
70.35748	0.6
70.36100	0.5
71.01379	3.4
73.02929	0.8
73.90369	0.4
73.94176	0.4
77.78562	0.4
78.95928	0.4
79.95733	3.5
80.96517	2.3
83.01383	0.4
85.02946	0.9
87.00851	1.0
89.02431	1.6
93.03454	3.4
96.96005	100.0
97.95974	0.3
98.48633	0.4
99.00845	0.7
101.02454	2.0
101.70938	0.3
107.05003	0.4
113.02442	1.7
119.03488	0.5
122.97572	0.7
135.04509	0.7
137.02426	5.2
138.02759	0.4
138.97069	7.3
143.03540	0.8
143.04639	0.4
150.97000	1.2
153.10103	0.4
161.04544	0.5
164.98593	0.8
165.05431	0.4
168.98135	0.7
179.03410	0.7
180.98103	1.1
194.39636	0.4
195.33855	0.3
213.56886	0.4
216.05540	0.4
222.99126	1.9
241.00218	36.2
242.00473	1.3
306.07471	0.4
327.39963	0.3
341.10815	1.5
343.12253	0.5
379.03378	47.9
379.07761	2.1
380.03680	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	379.043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.6
61.98814	2.0
64.52591	1.0
69.81916	0.8
70.04999	4.4
70.90992	0.9
71.01371	0.9
83.94813	1.2
96.96020	1.9
117.75053	1.0
138.99574	1.0
156.02116	1.3
157.02908	1.1
158.36830	1.1
181.02946	6.5
182.03683	5.4
185.02376	2.9
198.03159	4.6
225.01852	2.1
226.02625	6.6
237.01921	1.3
253.01376	35.8
254.01843	3.4
281.00922	5.2
282.01660	85.8
283.01978	7.8
297.04001	100.0
298.04321	9.3
364.00674	1.5
379.03152	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0829
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
54.47852	3.6
59.01378	19.6
66.79738	3.1
66.86734	3.0
67.41004	3.7
70.61664	9.2
71.01388	10.7
71.45253	3.4
78.95898	41.6
79.14962	3.3
85.02971	5.1
89.02444	11.4
96.96007	100.0
96.96960	89.8
101.02437	9.1
105.72638	3.6
113.02454	4.2
119.03513	6.8
125.55862	3.2
126.29153	2.9
130.08714	8.4
133.01527	5.2
137.02441	8.2
150.04205	15.5
161.04584	6.1
163.03999	7.0
179.05580	8.1
241.65387	3.5
282.08377	11.6
341.10843	14.0
343.10980	14.0
379.08234	40.8
380.08371	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	379.124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
59.01376	82.6
59.01675	4.2
63.48421	1.9
69.03440	3.9
71.01374	36.4
71.62664	2.2
72.99293	3.0
73.02943	28.4
79.95719	4.6
80.96532	2.4
83.01374	8.5
83.04980	2.3
85.02943	8.2
85.06572	14.1
86.95326	2.1
87.00878	4.4
89.02431	14.0
91.30418	2.1
95.01381	2.1
96.96006	55.9
98.95599	6.4
99.00836	3.9
101.02436	29.3
111.00852	3.2
111.90012	2.0
113.02459	9.5
113.06076	7.3
115.07639	2.7
119.03496	8.5
127.07640	2.8
129.01901	3.0
131.03427	2.9
131.06207	3.4
131.07133	55.4
132.07492	2.1
133.02902	3.9
135.04523	2.1
137.09749	2.8
149.04561	2.6
155.10751	8.1
161.04564	3.5
173.08109	3.4
176.03523	2.0
177.37396	1.8
179.05545	2.7
187.09680	2.6
199.09767	18.1
202.01408	1.7
217.10686	2.4
240.98000	2.0
241.00240	34.1
247.11787	4.8
256.99731	3.0
293.12430	10.7
335.13446	100.0
336.13687	8.6
378.60165	16.2
379.06644	4.7
379.10794	5.9
379.15915	51.0
379.23041	2.5
380.02594	8.8
380.16815	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	379.0124
Annotation	Kaempferide 3-O-sulfate
Peak:m/z	Relative Intensity
53.62287	1.1
65.00324	1.2
68.19721	1.2
69.28925	4.6
69.29343	7.4
79.95724	1.2
80.82088	1.3
87.67523	1.4
97.31831	1.2
110.00100	4.7
136.98810	1.7
137.99585	2.1
152.30540	1.2
165.99030	6.6
187.03926	1.5
200.04649	1.9
203.27507	1.3
212.04745	4.9
214.02673	4.2
256.03845	1.3
284.03229	60.6
285.03766	6.0
299.05597	100.0
300.05893	9.8
315.80670	1.5
340.05719	1.2
379.01117	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	379.0126
Annotation	Kaempferide 3-O-sulfate
Peak:m/z	Relative Intensity
59.01372	1.6
65.00332	2.5
67.01888	2.8
68.99805	1.6
69.03442	1.4
70.52086	0.8
70.52423	2.0
72.45059	0.7
79.95733	1.0
81.03434	1.6
83.01376	3.6
83.80308	0.8
85.02937	2.8
93.03454	5.0
95.01374	10.5
96.96014	2.7
97.02942	2.6
98.95579	2.5
107.01375	3.6
117.03445	4.8
119.05014	11.2
123.00869	9.7
124.01637	2.8
125.01613	1.5
125.02449	16.5
132.46530	0.9
135.00850	0.9
140.60643	0.9
145.02927	2.4
151.00356	2.6
153.01926	100.0
154.02220	2.7
165.01929	0.8
168.99997	0.8
178.99814	2.5
193.01382	4.1
205.01437	1.2
275.68753	0.8
279.02872	2.8
281.04153	1.6
297.04031	2.2
299.05579	47.6
300.06000	4.3
379.01221	66.0
380.01505	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	379.0338
Annotation	CHEBI:70616
Peak:m/z	Relative Intensity
56.91327	0.3
57.03450	0.6
59.01374	14.9
61.98825	4.5
65.03954	0.5
69.03452	0.5
70.51369	1.0
71.01376	3.3
71.88813	0.3
72.99300	0.8
73.02928	0.8
73.04060	0.4
74.99007	0.4
75.00889	0.7
78.91873	0.4
79.18452	0.3
79.95723	0.7
80.96498	0.6
81.27706	0.3
82.03004	0.4
83.01401	0.6
85.02940	1.4
87.00867	1.4
87.04522	0.3
87.05605	0.3
89.02474	1.8
93.03448	47.7
94.03789	1.7
96.00909	1.5
96.95992	7.9
97.02945	1.2
99.00866	0.7
101.02453	2.5
108.02162	0.7
109.02938	0.4
109.06584	0.4
110.02515	0.4
113.02428	1.4
113.03574	1.9
115.03963	0.8
119.03494	0.9
119.05018	0.5
119.14063	0.3
123.04505	0.6
125.06094	0.4
127.05112	0.4
128.03539	0.7
129.01935	1.0
130.06145	0.4
130.08728	0.8
134.03734	1.1
135.02998	0.8
135.04546	1.7
137.02429	100.0
138.02754	4.5
138.05540	0.4
141.01953	0.5
147.04512	0.6
153.05592	0.5
161.04578	1.0
164.07135	0.9
165.05566	0.7
165.79739	0.4
176.03595	0.6
179.03513	0.4
187.06142	1.3
187.09729	1.2
191.05566	0.6
193.05063	0.5
199.09805	0.4
200.07135	0.3
215.06693	0.4
241.00195	11.1
242.00514	0.5
258.15671	0.4
262.07053	0.5
267.07193	0.4
297.06219	0.8
301.08319	1.1
318.10913	1.0
319.14215	1.6
332.12253	0.4
335.14386	0.7
345.10699	0.4
362.13376	1.8
378.16379	0.7
379.03159	1.0
379.07047	2.2
379.12076	0.6
379.16602	6.8
380.14804	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71654	0.4
59.01376	1.7
61.98828	100.0
63.10613	0.4
65.34694	0.4
71.62082	0.5
78.95915	1.8
87.39017	0.4
96.96025	0.7
106.95982	0.4
152.99612	1.5
157.56587	0.4
171.00720	1.2
175.94899	0.4
252.68414	0.4
275.20209	0.7
378.18845	7.3
379.19400	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.3
60.06234	1.4
61.98828	34.4
71.62951	2.2
72.04530	6.5
74.02470	100.0
75.02827	2.1
78.95896	4.4
86.01940	1.4
96.96032	2.0
118.05048	2.6
120.22351	1.6
141.80472	1.6
171.04529	1.6
207.99284	1.5
290.24915	5.5
297.24319	4.4
316.22845	13.6
317.23059	2.4
334.23834	59.6
335.24094	7.2
378.26520	26.8
379.26608	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	378.301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08878	0.3
58.02983	0.5
58.54969	0.3
59.01380	0.6
61.98817	0.7
71.46925	0.6
83.05060	0.4
96.96011	0.4
114.09274	2.7
116.07169	100.0
117.06821	0.4
117.07513	2.3
181.01430	0.3
186.10318	0.3
188.52448	0.3
210.28769	0.3
253.36617	0.3
279.84097	0.3
332.29459	0.3
334.31073	2.1
378.30084	65.7
379.30414	9.8
383.18738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0124
Annotation	Kaempferide 3-O-sulfate
Peak:m/z	Relative Intensity
57.03418	1.5
59.01362	4.6
59.82603	1.1
65.00310	1.7
65.03941	1.3
65.89971	1.2
67.01883	1.3
68.99807	2.9
69.03459	1.2
69.29830	9.3
73.88372	1.1
79.95737	7.4
80.96503	2.4
81.03444	1.6
83.01376	2.8
85.02943	4.1
87.00875	1.3
93.03452	7.0
95.01385	6.4
95.95227	1.5
96.96004	35.0
97.02917	1.8
101.35625	1.2
105.42081	1.3
107.01368	1.4
107.04994	1.4
108.02168	26.3
109.02951	23.4
110.00089	3.9
110.17303	1.2
110.62846	1.1
111.00841	2.6
113.02458	1.7
117.03466	2.8
119.05012	6.9
123.00867	8.3
125.02467	6.0
129.01868	1.5
129.90381	1.3
133.02943	53.7
134.03239	1.2
135.00914	1.7
135.04488	2.6
136.98839	2.2
137.02434	65.0
138.02756	2.9
153.01927	45.0
154.02243	2.0
162.25961	1.1
165.99112	6.6
171.10158	1.9
185.06027	1.3
187.04103	1.4
192.00688	2.1
193.01315	1.8
200.04703	1.9
211.04057	1.7
211.13434	1.2
212.04771	4.7
214.02658	3.5
214.99995	1.5
241.00096	1.6
246.08443	6.2
246.58435	8.0
247.08347	2.3
253.05130	1.4
256.03629	3.0
256.99661	3.3
271.06079	40.6
272.06454	4.9
281.04514	2.6
284.03238	73.0
285.03513	6.2
299.05573	100.0
300.05994	9.1
343.21167	8.9
344.21494	1.4
379.01227	94.9
380.01514	9.5
380.11273	12.3
396.41998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
59.01376	28.5
61.98816	1.1
69.12891	1.0
69.43579	7.7
96.96004	1.9
98.20730	1.0
99.08131	1.1
113.09708	2.2
183.13846	2.6
191.08318	1.0
195.13887	18.0
224.19788	0.9
267.35928	1.1
277.21686	15.5
278.22122	1.6
295.22739	100.0
296.23065	9.9
317.20944	2.5
369.81146	1.0
377.23032	36.6
378.23434	4.9
404.10590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16923	0.6
57.03425	0.7
59.01375	29.4
61.98835	0.7
63.75139	0.6
96.95984	1.3
125.09683	1.0
155.14449	1.2
171.10251	29.7
172.10587	1.1
183.10193	2.2
195.13768	0.9
225.75264	0.8
235.37822	0.7
251.23761	1.5
277.21692	32.0
277.24747	1.6
278.21973	4.1
295.22745	100.0
296.23074	11.3
317.20947	7.5
318.20941	0.9
377.23059	36.6
378.23306	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	378.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98823	100.0
65.03062	0.3
66.91228	0.3
70.19515	0.9
70.19918	0.6
71.01381	0.6
77.23617	0.3
79.72192	0.4
79.95711	0.5
80.48554	0.3
85.02949	0.5
89.02454	0.8
95.13882	0.3
96.95999	2.0
98.20615	0.5
113.02466	0.6
115.15900	0.3
123.04507	0.4
124.08673	0.3
125.06061	0.5
135.04523	0.8
137.02385	0.4
153.05583	0.7
163.26813	0.4
187.06192	0.6
331.11838	0.4
378.16678	0.8
379.07132	3.0
379.12451	0.9
379.16574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97898	1.1
59.01374	12.4
61.98827	28.4
64.73833	1.3
68.49542	1.3
71.51651	1.5
77.38303	1.1
83.05029	4.4
85.06584	3.5
99.08150	1.8
104.88621	1.3
111.04480	2.1
117.93891	1.2
129.05579	21.7
171.10228	4.7
172.46622	1.2
196.86493	1.6
218.21622	1.2
219.97850	2.0
277.21713	12.6
293.21173	1.5
295.22757	100.0
296.23126	9.4
317.20700	5.9
361.20163	1.6
377.23026	25.4
378.18433	1.9
378.23135	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	377.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	19.9
69.03448	0.8
69.84013	1.8
69.84407	1.9
90.16404	0.8
95.05019	1.9
98.20508	1.6
125.09698	1.1
141.12859	1.0
171.10257	37.0
172.10677	1.7
182.26164	0.7
183.10266	1.6
191.07083	0.9
195.13904	1.1
206.28221	0.8
249.22531	1.0
268.43393	0.9
277.21701	39.3
277.24728	1.9
278.21976	3.8
295.22754	100.0
296.23105	9.7
317.20941	35.7
318.21338	4.6
333.22815	1.2
361.19931	4.1
377.22971	32.0
378.23190	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	377.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86793	0.5
59.01372	4.0
61.98840	0.5
71.01379	3.0
71.63560	0.6
73.02942	1.1
75.00885	0.8
78.95875	0.6
79.95722	4.2
80.96506	2.2
83.01394	0.6
85.02944	3.0
87.00851	0.4
89.02445	0.4
95.95236	1.8
96.96002	99.5
97.50232	0.4
99.00863	0.8
101.02418	1.8
111.00877	0.4
113.02432	1.4
120.99625	0.6
122.97549	0.8
127.07628	1.9
134.03741	0.7
135.04497	0.7
137.02431	0.8
138.93979	0.4
138.97055	1.2
139.00465	0.5
150.97052	1.1
153.12799	0.8
175.04065	0.5
179.03398	0.5
180.98070	1.2
181.52164	0.4
198.43649	0.4
209.06665	0.7
234.00829	0.5
241.00198	5.0
249.06174	0.7
293.94650	0.4
304.28970	0.4
347.11459	1.3
377.09067	100.0
378.09247	10.1
399.06085	0.5
402.64020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1422
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01372	0.4
61.98821	1.4
71.62302	0.4
73.02938	0.3
76.61795	0.3
84.69940	0.3
84.93437	0.3
84.93887	0.7
89.29860	0.3
95.03414	0.3
96.96001	0.7
99.92579	80.0
100.92590	5.3
100.93355	2.6
114.94963	0.3
115.92070	36.4
116.92850	100.0
117.92869	6.0
131.91568	0.4
132.92358	0.5
142.94363	0.4
170.56468	0.4
277.21634	1.5
278.21893	0.3
279.22272	0.5
290.06161	0.5
299.06049	0.7
308.07196	2.2
315.14175	0.4
333.15201	0.8
359.13055	0.9
360.13492	0.5
373.11078	2.4
374.11716	1.0
377.14221	42.6
378.14432	8.8
378.19424	0.4
391.12238	3.6
392.12439	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
66.23051	0.4
68.99817	0.8
70.47218	1.5
96.96007	0.7
132.02164	0.9
137.91559	0.4
154.04237	0.5
157.02904	0.8
169.02963	0.5
181.02913	4.2
182.03682	5.2
183.03990	0.5
185.02461	1.4
198.03198	4.1
210.03049	0.5
225.01808	0.9
226.02669	7.2
237.01825	0.8
253.01390	26.3
254.01836	2.6
265.01367	0.7
281.00928	3.8
282.01663	79.8
283.01990	7.3
297.04004	100.0
298.04370	10.4
298.07739	0.6
341.23285	1.0
363.66904	0.4
376.99658	6.9
378.00146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.6
61.98825	100.0
71.62020	1.7
79.84789	1.3
93.86102	1.3
96.96003	5.3
105.01626	1.2
114.31708	1.5
227.37569	1.3
272.04330	1.3
310.93509	1.3
334.22217	1.4
377.19742	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	376.2853
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.24803	0.5
54.85894	0.5
58.02963	0.9
59.01373	1.3
61.82148	0.6
61.98828	1.7
69.57793	4.0
82.72969	0.5
93.66956	0.6
114.09237	2.7
116.07169	100.0
117.07512	2.7
135.91042	0.6
138.12643	0.5
268.52426	0.6
321.48053	0.6
327.52322	0.6
376.28510	61.9
377.28900	8.7
396.02136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12056	0.6
57.85245	0.5
58.88770	0.5
59.01124	0.7
59.01374	7.1
60.01685	1.0
63.02394	0.6
65.00320	10.0
67.01884	4.0
68.99809	1.9
79.01881	0.9
79.95773	1.2
80.96499	0.8
83.01360	2.0
83.36544	0.6
83.74098	0.6
89.00327	1.4
91.01882	0.9
95.01382	1.4
96.96015	0.9
98.19844	1.9
107.01398	7.4
111.00880	3.3
117.03474	7.4
123.00879	3.9
126.23640	0.7
133.02974	1.8
135.00870	2.5
151.00374	9.7
151.60486	0.6
155.10818	1.1
157.02945	0.8
159.04544	1.1
167.04982	0.7
169.06548	1.3
173.06052	0.9
176.98280	2.0
178.99849	20.1
180.00226	0.8
183.04501	5.6
185.02415	10.6
186.02747	1.2
187.04105	0.6
195.04477	1.4
197.06056	3.0
199.03967	1.0
207.04488	1.5
211.04044	1.8
223.03903	2.0
225.05569	1.8
228.04305	0.7
230.26779	0.6
231.86047	0.7
237.05843	0.6
239.03517	2.2
251.03441	1.9
267.02924	2.3
268.03696	2.5
269.04459	9.6
270.04752	0.7
282.01563	1.5
286.31717	0.6
295.02359	0.9
297.04013	100.0
298.04385	10.4
341.19754	0.8
376.27838	4.3
376.99689	61.7
377.28018	1.6
378.00067	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	376.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65922	0.5
59.01366	1.6
63.78418	0.5
69.69246	2.2
69.69655	1.3
71.55642	0.5
79.95737	1.9
80.96530	0.9
87.04507	3.5
96.96003	100.0
97.95943	0.7
98.19982	1.0
145.54448	0.5
157.02963	0.8
167.05122	0.6
171.88770	0.5
195.04500	2.4
197.06088	0.9
207.04526	1.7
211.04030	1.4
212.29715	0.5
213.05508	1.9
223.04001	7.0
225.01907	2.5
235.03967	2.1
237.01920	3.0
239.03398	0.7
246.08302	0.8
250.02582	0.6
251.03447	27.2
252.03807	2.5
253.01436	0.6
256.99786	1.0
279.02945	86.8
280.03305	9.3
297.04007	82.8
298.04379	8.7
366.72791	0.6
376.99686	6.3
377.16077	0.9
377.99710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.01375	59.8
61.98822	5.2
62.91136	1.0
69.03433	2.2
71.01374	11.3
71.63358	1.9
73.01164	21.9
73.02962	2.0
79.95731	4.1
80.96534	1.7
83.05022	6.8
85.02946	4.5
86.02483	2.1
87.00877	2.9
87.99877	1.6
89.02444	1.6
90.80133	0.9
96.96004	32.0
97.02950	3.5
97.06651	0.8
98.01927	4.6
101.02465	2.3
105.66845	0.9
109.06601	0.9
111.00869	1.6
111.08150	1.9
113.02456	1.8
113.06139	0.9
113.09707	4.5
115.04003	69.2
115.07626	2.0
116.04371	1.5
120.01237	1.0
120.99646	2.0
127.05839	1.3
129.01923	2.5
129.67107	1.0
131.34216	1.0
133.03026	1.2
134.03777	1.3
135.04500	1.9
137.09715	1.1
138.97067	2.0
139.11279	8.3
149.02481	1.4
150.03214	2.1
155.07143	83.5
155.09012	38.8
156.07431	4.4
156.09320	2.7
160.01947	2.6
161.02434	3.0
164.07138	1.5
165.05550	3.1
173.10039	26.5
173.11566	1.3
175.00391	1.0
175.14897	20.8
179.03488	1.6
181.10580	1.8
183.13878	1.2
184.10750	1.4
185.11832	4.1
190.02701	1.7
191.05684	2.6
193.05072	2.3
193.15887	5.1
195.06561	1.1
200.47095	0.9
205.05038	2.8
209.06686	3.1
211.17064	1.3
217.12668	3.2
227.14708	5.8
228.17122	1.1
237.14938	21.1
237.17131	1.7
238.15335	2.6
241.00281	4.2
253.12634	12.1
255.16002	25.6
256.16486	2.1
260.13248	6.3
261.13284	1.0
271.13675	8.3
289.14764	100.0
290.15161	9.7
296.09116	1.6
300.10678	1.8
305.31042	1.0
353.06558	1.3
358.17053	4.8
375.60242	1.4
376.10229	3.4
376.17975	48.8
376.22397	4.9
376.59485	1.3
377.09088	12.6
377.16263	16.1
385.11441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48390	0.5
55.26866	0.5
57.03440	0.7
59.01093	0.8
59.01376	14.7
61.98811	0.9
71.62927	0.6
81.43499	0.5
93.03459	0.7
97.06598	0.7
105.38673	0.5
123.08172	0.7
125.09705	3.2
141.12881	1.1
149.09702	1.8
167.14378	0.5
177.12854	0.7
185.11827	9.2
186.12073	0.5
191.06845	0.9
197.11801	2.0
217.00302	1.4
247.20604	1.3
249.22217	1.1
266.12479	0.5
293.21207	100.0
294.21524	10.9
315.19382	33.6
316.19748	3.4
320.17236	0.5
335.46240	0.5
375.21466	6.8
376.21765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.7
59.01376	79.9
59.50433	0.5
60.01707	1.1
61.66717	0.4
63.60732	0.4
68.46981	0.4
73.02960	0.6
98.19843	1.3
125.09746	1.0
127.11282	4.2
139.11336	0.6
153.12862	1.8
155.10771	8.3
157.12335	7.0
167.10791	0.9
183.13826	0.6
185.11862	2.3
187.13379	4.4
249.22212	0.5
311.25870	1.6
313.23804	5.6
313.27118	0.9
314.24249	0.6
315.25348	5.5
316.25739	0.6
335.45450	0.4
357.26450	2.5
375.27478	100.0
376.27783	12.9
386.26758	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23914	0.3
55.42716	0.3
59.01373	2.2
59.19291	0.4
61.98820	0.5
66.00969	1.3
68.99829	0.3
70.46587	0.7
71.01385	1.6
73.02943	1.9
78.00969	0.6
78.95901	11.5
82.04111	0.7
85.02914	0.4
89.02428	1.9
90.00964	0.5
101.02447	1.8
107.03635	4.0
108.02019	5.4
110.98526	10.3
113.02438	1.7
119.03525	0.6
126.03089	1.5
131.03471	1.2
133.01555	44.8
134.01895	1.1
150.04201	100.0
151.04646	3.0
152.99495	0.5
161.04573	0.9
167.01152	0.6
179.05595	1.3
192.99057	2.0
215.03235	0.4
225.01668	9.0
226.02032	0.5
278.94943	0.4
341.10831	3.8
376.06577	30.4
377.07834	4.6
397.92291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03448	0.7
57.05414	0.2
58.00589	1.6
58.04520	0.2
59.01376	42.3
60.01717	0.6
60.46389	0.2
70.47643	0.4
70.48008	0.5
71.01377	21.8
72.01722	0.3
72.99309	1.6
73.02961	1.2
83.01396	1.6
85.02942	5.3
87.00885	0.8
89.02438	19.1
90.02769	0.5
95.01375	1.8
96.95963	0.2
98.20007	0.2
99.00893	0.7
101.02439	12.9
102.02750	0.2
105.47414	0.2
113.02440	8.0
117.33606	0.2
119.03487	5.7
119.04295	0.3
120.03885	0.2
131.03438	0.3
143.03482	0.4
149.04591	0.4
183.13927	0.7
195.13893	9.0
196.14171	0.5
213.14944	3.5
214.15295	0.3
357.19049	0.6
375.20181	100.0
376.20532	11.6
376.24213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	54.4
61.98821	2.5
70.51838	2.3
70.52218	2.6
95.05009	2.9
96.95981	3.5
109.06587	1.5
121.10229	27.8
125.09782	1.5
146.50648	1.2
149.09746	1.6
154.65503	1.3
156.03705	1.3
171.10255	62.4
172.10643	4.5
174.99237	2.4
177.16582	2.8
183.13942	3.6
185.11777	2.2
207.10022	1.6
211.13481	1.4
217.00291	10.4
231.21117	6.0
253.09395	2.4
275.20129	91.5
276.20496	11.6
278.11307	10.0
293.21198	100.0
294.21530	10.5
297.18536	1.9
315.19370	56.5
316.19803	5.4
329.17349	1.5
359.18341	8.9
360.18991	1.3
374.66156	2.6
375.21326	47.4
376.21622	7.4
389.82767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	32.1
61.98817	1.7
69.33051	2.5
69.33458	4.7
71.01385	1.0
73.58642	0.9
95.05017	30.3
96.05312	1.1
96.95990	5.3
98.20690	1.7
99.92572	1.1
121.10184	1.0
140.83965	0.8
149.72252	0.8
150.29395	0.9
171.10260	2.8
174.99242	3.1
195.13867	10.9
196.14249	1.6
198.58098	0.9
205.12250	1.4
208.68243	0.8
211.13387	1.7
217.00252	12.2
223.13390	8.6
246.12317	13.8
247.12675	1.6
256.13101	3.0
275.20068	9.2
276.20596	1.4
278.11319	77.0
279.11700	6.3
293.21191	100.0
294.21481	11.5
315.19385	22.5
315.25058	1.2
316.19766	2.8
338.12253	6.5
338.19156	1.0
368.28406	0.9
375.16461	1.2
375.21329	10.9
376.21332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.0
59.01375	38.0
61.98822	2.1
70.76421	2.6
83.04322	0.8
95.61433	1.0
96.95989	1.1
97.06601	1.3
98.19935	1.0
111.08168	1.0
113.09717	18.1
121.06566	3.7
121.10208	3.5
122.03371	0.9
139.11282	2.3
167.10773	3.1
168.58157	1.0
171.10258	12.8
174.99229	2.0
179.10739	2.1
183.10274	1.1
195.13910	2.8
217.00319	7.3
231.21193	1.6
232.92653	1.0
247.09436	1.7
247.20673	1.5
249.10983	2.5
249.22125	2.6
272.13934	1.6
275.20123	17.6
276.20605	2.1
293.21207	98.1
294.21542	11.9
315.19373	100.0
316.19724	9.9
335.19211	1.0
375.21436	14.5
376.21854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57523	1.4
69.57944	1.1
74.93226	0.4
74.99062	2.6
80.61347	0.6
93.00113	0.9
98.20628	0.8
104.99057	0.4
149.01022	0.6
156.32782	0.4
159.08452	10.9
161.06410	3.0
192.98088	1.1
209.01250	2.3
217.07295	1.1
275.05963	0.9
277.07455	2.9
289.07516	1.7
291.09079	96.7
292.09198	14.9
293.06775	0.4
309.10107	0.9
324.28656	0.4
324.40317	0.4
357.13647	2.2
359.15323	100.0
360.15475	17.4
375.18472	9.8
376.18707	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70525	0.8
54.64177	0.8
59.01091	1.6
59.01374	26.0
61.98812	1.7
66.70503	0.8
71.62943	0.9
71.63319	1.2
74.02457	2.5
75.00869	19.0
95.09391	1.0
104.23604	0.9
114.05613	1.5
242.13548	0.9
277.21686	100.0
278.22083	10.4
293.17715	1.1
339.27271	1.9
375.20578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20618	1.4
53.29402	1.3
59.01374	18.3
61.98816	3.1
66.80318	1.5
71.63203	1.9
74.58547	1.3
75.00862	11.1
78.41364	1.6
84.01544	1.4
84.51818	1.4
96.95993	3.9
104.32310	1.5
122.03752	3.5
141.34702	1.5
200.26936	1.5
221.15347	1.5
275.20172	1.9
277.21692	100.0
278.22012	10.7
293.17786	4.5
340.28540	4.0
375.28995	10.5
376.29169	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
56.54657	1.3
57.03439	2.3
58.00585	3.0
59.01377	100.0
61.98827	2.0
67.61026	1.1
68.93521	1.1
69.03461	2.1
71.01379	53.4
72.99302	3.0
74.99100	1.4
75.00864	1.1
79.95750	3.3
83.01394	1.6
85.02941	11.6
87.00889	3.6
89.02441	56.5
89.72246	1.1
90.02792	1.2
94.98272	1.5
95.01388	3.0
95.05011	6.1
96.96011	5.4
97.06589	3.6
101.02438	29.1
107.05024	7.9
113.02437	18.2
114.58687	1.2
115.07646	5.5
119.03492	28.8
121.33979	1.2
131.03577	1.5
133.10138	1.2
134.03687	1.1
135.08150	1.3
136.05302	2.9
136.99239	1.6
139.11295	4.4
143.03528	3.7
149.04533	1.3
149.09705	1.4
151.11278	50.0
151.63007	1.1
152.11604	2.6
161.04494	1.7
164.08403	3.3
167.10739	2.5
169.12328	3.6
177.09196	8.3
179.05586	5.4
185.11774	4.3
191.72929	1.1
193.12335	5.3
193.78694	1.2
195.10246	98.6
196.10640	5.7
211.13345	3.4
213.11287	16.1
255.12296	1.7
353.59842	1.2
375.16376	4.0
376.08771	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27353	0.7
58.75101	0.6
59.01375	12.2
61.98832	1.0
64.56464	0.6
71.01377	11.1
71.41676	1.0
71.42014	0.8
80.91674	4.8
86.69150	0.7
96.95998	1.4
102.56596	0.6
127.07585	1.0
157.77057	0.6
164.08385	0.8
174.99219	3.1
177.09181	3.4
190.09955	1.9
192.11562	8.4
193.12126	0.8
205.12350	3.0
207.13918	2.0
215.93088	0.7
217.00281	10.8
218.09503	2.0
220.14656	40.3
221.15431	100.0
222.15782	8.2
235.13414	1.8
236.10503	84.5
237.10904	6.0
275.16693	0.6
284.57861	0.7
293.17563	45.9
294.17761	4.8
318.09628	3.8
321.15677	1.1
374.99368	1.2
375.17865	12.4
376.18027	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	375.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97644	0.5
51.59851	0.6
52.45005	0.5
61.98822	1.4
69.38302	3.6
74.99078	2.5
87.60922	0.5
93.00156	1.1
98.20615	1.1
100.29089	0.5
149.00900	0.6
159.08456	9.6
160.08464	0.5
161.06354	3.4
192.98122	0.6
209.01213	2.3
217.07225	0.8
275.05948	0.8
277.07480	2.7
289.07520	1.2
291.09076	93.8
292.09207	13.5
309.10138	0.7
357.13660	2.0
357.66177	0.7
359.15308	100.0
360.15497	16.7
375.18436	9.4
375.29276	0.6
376.18619	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	(+)-Neoolivil
Peak:m/z	Relative Intensity
58.58703	1.6
59.01371	8.8
61.98823	2.5
62.72661	1.4
69.28949	17.5
71.01385	4.1
72.99292	2.6
73.02947	2.3
79.85812	1.6
79.95731	7.8
83.05036	2.1
85.02945	2.4
93.03483	3.6
95.01421	2.0
95.95240	7.0
96.96008	40.4
101.02444	4.2
108.02178	2.8
109.02958	7.3
120.99648	2.1
121.02977	6.8
122.03746	14.7
123.00881	7.4
123.04536	2.9
124.01638	5.0
129.01927	2.4
130.08716	1.7
131.09311	1.5
133.02969	3.2
134.03748	12.2
135.04535	3.7
136.01698	3.9
137.02469	3.6
138.03232	2.6
146.03731	10.1
147.04605	2.5
149.02444	30.2
149.06065	7.5
150.03220	95.1
151.04025	11.7
161.06119	5.3
164.04807	11.6
164.07149	1.6
165.05554	100.0
166.05946	4.5
168.04343	3.0
171.10291	2.3
175.03999	8.6
176.04671	2.5
179.07149	12.0
180.04256	7.3
181.04947	2.1
183.06584	2.8
183.10326	2.6
189.05492	1.9
190.06219	2.3
191.05464	1.8
191.07071	3.2
193.05064	5.8
195.06619	44.5
222.40077	1.5
241.00284	4.3
243.51033	1.7
267.06583	2.7
279.06638	3.7
282.08960	2.8
294.08932	2.4
297.07916	3.0
297.11407	3.8
312.10040	6.2
327.12314	32.7
328.12744	5.2
330.11087	7.6
331.11844	3.7
333.15421	2.3
345.13336	17.6
346.13797	3.5
358.14847	1.9
375.07458	8.7
375.10556	4.6
375.14127	25.0
375.20514	3.0
375.60452	3.6
376.14923	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	375.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10384	2.6
55.01877	3.0
56.49998	2.4
58.00584	7.6
58.80322	2.3
59.01378	90.3
62.68475	2.5
69.66934	13.8
71.01376	68.1
72.99300	6.5
73.02943	5.5
85.02943	13.8
87.00873	9.6
89.02440	100.0
89.02995	5.5
95.01398	4.8
96.96007	4.6
98.19918	5.0
101.02426	32.9
113.02443	27.5
117.03437	8.7
119.03491	34.9
119.04996	4.2
121.02977	3.0
133.02924	6.3
135.04506	3.8
143.03462	7.6
145.01845	3.8
145.02940	45.7
146.03784	12.0
147.04518	14.0
149.02423	12.9
149.04587	3.3
150.03178	15.6
150.04240	4.0
153.01941	3.3
161.02441	47.4
161.04544	10.4
162.03224	54.9
163.03542	3.4
164.04762	5.4
165.05563	36.8
177.05573	30.9
178.05913	3.2
179.05614	16.7
180.04289	7.0
188.39285	2.7
195.06607	26.2
327.10825	3.0
339.12723	8.1
357.11981	15.5
375.10172	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30698	3.1
57.39648	3.4
59.01374	100.0
61.98819	15.8
63.14708	3.4
71.01376	62.2
71.62385	5.5
72.99294	6.2
73.02932	4.0
75.00886	4.0
78.95894	4.0
79.95726	8.6
80.68969	3.4
85.02947	20.6
85.10072	3.4
87.00863	7.3
88.98812	5.8
89.02441	83.2
95.95221	6.9
96.00941	3.8
96.96003	50.6
98.95581	10.9
101.02438	34.4
103.84966	3.4
113.02440	24.3
119.03501	29.8
121.02967	4.3
121.06589	5.6
123.03255	6.2
123.04490	3.4
123.90186	3.3
129.01955	8.2
138.05617	22.5
139.05916	16.0
143.03511	6.4
148.04382	3.4
149.02541	3.7
154.06216	4.3
161.04506	13.3
174.99174	6.7
177.01845	8.0
179.05605	46.9
183.06587	9.9
183.70041	3.3
184.06291	4.6
198.24330	4.8
203.08282	3.5
209.06589	9.8
210.06970	5.4
217.00291	16.0
217.02109	4.2
256.99707	13.9
295.11929	3.4
315.13373	4.0
375.07510	5.2
375.12134	15.1
375.17078	4.3
376.09549	4.7
376.15308	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	375.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18805	0.5
53.93921	0.5
54.13240	0.6
59.01366	2.7
61.98824	100.0
63.54084	0.5
69.50676	3.9
71.01398	0.8
74.99104	0.7
75.53436	0.5
79.95728	0.7
85.03004	0.5
96.96017	1.0
98.19896	1.0
101.02439	0.7
110.83265	0.5
128.97285	0.5
135.59657	0.6
139.00325	0.7
151.11264	1.1
153.09198	0.7
190.07607	0.5
195.10291	1.7
360.12332	0.7
375.14444	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	375.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55432	2.5
59.01373	100.0
61.98820	20.2
63.91763	2.7
67.23649	2.7
69.07500	2.2
69.26836	21.7
69.27246	6.3
71.01379	53.4
72.99283	5.1
74.02476	3.1
75.00858	3.8
77.15517	2.5
79.95724	5.9
83.01395	3.3
85.02936	16.3
87.00861	5.8
88.04031	2.8
88.98772	4.5
89.02437	71.6
93.40223	2.6
95.95213	5.1
96.96007	29.8
98.20649	5.1
98.95571	4.0
99.00922	3.4
101.02440	29.4
109.06575	3.7
112.72344	2.9
113.02434	20.1
118.35313	3.1
119.03498	28.3
121.06528	3.9
128.03496	3.6
129.01895	3.8
131.03441	4.4
135.04497	3.2
137.02422	5.5
138.05589	9.2
139.05920	7.9
139.07590	5.8
143.03455	5.7
149.04546	2.8
151.03963	3.5
153.89381	2.7
154.06195	3.8
161.04460	7.6
177.01804	7.4
179.05592	46.8
183.06607	7.4
191.05510	3.8
209.06592	9.0
210.07057	4.1
217.00272	6.4
256.99655	2.9
265.96832	2.6
286.00781	3.0
336.57135	2.7
375.07379	5.1
375.12912	17.1
375.16754	2.7
376.15634	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	375.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
57.03444	13.6
58.00572	1.6
59.01374	30.9
67.01870	2.1
67.05524	1.5
68.99801	3.2
69.03458	8.9
69.55518	7.2
71.01379	26.8
72.99300	9.2
73.02940	7.7
74.69688	1.1
75.00825	1.2
79.95735	8.3
83.01366	6.9
84.02152	1.5
84.95111	2.6
85.02943	44.6
86.03287	2.1
87.00870	16.1
87.04510	3.5
89.02439	4.8
93.07096	1.6
95.01368	1.8
96.96001	15.4
97.02944	16.6
98.95587	2.6
99.00870	9.1
101.02412	10.3
111.00858	6.3
113.02447	8.1
115.04010	6.3
119.03467	1.1
119.05070	1.0
121.06559	2.9
129.01929	30.7
130.36142	1.0
136.19881	1.0
136.27759	0.9
138.97086	1.0
139.07635	68.0
140.07967	2.1
141.01917	13.6
145.04987	1.2
150.97334	0.9
159.02980	7.0
159.66823	0.9
161.04509	5.4
171.10222	3.8
182.71053	1.0
183.06612	11.5
191.05588	18.9
209.06638	55.6
210.06955	2.2
235.07959	1.1
241.00179	4.4
256.99759	2.2
331.13763	1.3
331.17386	1.2
333.15436	2.0
357.11871	1.3
375.12814	100.0
375.16635	9.0
375.58475	1.3
376.09589	1.6
376.13193	8.8
376.17105	1.3
395.10312	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	6.2
59.01377	94.1
71.01381	70.8
71.25423	5.3
72.99299	5.0
73.02943	5.1
78.95889	4.3
85.02964	13.1
87.00878	10.6
89.02440	100.0
95.01411	4.1
96.96021	4.6
101.02434	32.3
108.57193	2.7
113.02428	26.3
117.03448	10.0
119.03506	37.1
119.05032	4.9
121.02950	3.4
122.03732	3.3
123.04581	3.3
131.03520	4.6
133.02892	4.5
143.03461	5.5
145.02953	46.8
146.03712	11.4
147.04497	10.3
149.02467	15.3
149.04460	4.4
150.03189	15.0
150.04213	6.1
161.02435	40.7
161.04559	8.3
162.03217	50.2
163.03575	7.2
164.04747	5.6
165.05571	34.1
170.68842	2.7
177.05545	29.3
179.05672	16.4
180.04317	13.5
195.06622	30.1
207.08691	6.1
283.18668	3.0
339.12866	15.8
357.11823	9.7
375.10324	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	374.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55347	4.1
58.70756	3.2
59.01375	75.5
61.98519	5.7
61.98826	100.0
69.60062	3.1
71.57622	3.8
72.20951	3.6
82.75968	3.9
96.95991	12.7
115.47520	3.5
128.48903	3.6
174.99429	4.5
196.46228	3.2
217.00238	11.5
374.15805	3.7
374.52054	3.3
375.21619	4.6
381.82349	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	374.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11750	1.7
59.01376	17.0
59.28289	2.2
60.42136	1.7
61.98825	100.0
79.95732	2.2
91.26001	1.8
92.42286	2.1
96.96002	8.5
207.73958	2.0
217.00218	4.9
229.75090	1.8
264.98080	2.0
374.15598	2.5
386.42169	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34210	0.2
57.17494	0.2
59.01375	8.9
60.99073	0.3
61.98838	1.6
69.41788	2.2
73.72363	0.4
77.16142	0.2
84.73490	0.2
85.66711	0.2
96.96009	0.9
98.19833	0.5
101.06087	0.9
112.92419	0.3
124.07648	0.4
138.65428	0.3
165.10156	0.3
171.65276	0.3
174.99210	1.6
189.10365	0.4
194.92601	0.3
217.00288	4.5
232.10886	9.4
233.11421	0.5
289.17932	1.5
290.18768	2.2
316.16684	1.1
318.17984	0.4
358.21521	1.0
374.24429	100.0
375.24759	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	374.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.35501	1.0
61.98827	5.2
63.75364	1.0
71.61672	1.2
78.95912	1.4
79.95711	1.1
88.78056	0.9
96.96004	21.0
97.09470	1.0
110.50611	1.2
127.47461	1.0
131.51375	1.0
136.08899	1.1
156.93721	1.3
174.99237	3.5
181.01398	1.3
193.15991	2.1
194.92769	1.4
217.00313	13.9
293.17538	2.3
314.27078	1.5
373.25818	1.1
374.15936	9.3
374.65915	3.8
374.99173	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	375.0719
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
57.03446	1.1
59.01369	9.4
60.55385	1.0
61.98823	3.7
70.47928	3.7
71.01367	4.2
75.00858	2.5
79.95710	3.7
79.99025	3.6
85.02935	2.1
89.02430	3.0
96.96011	6.5
96.99316	3.0
98.95607	1.2
101.02448	1.4
107.13925	0.9
119.03539	1.2
120.99644	1.4
124.98784	8.5
125.23909	1.0
149.02426	1.3
151.97511	18.3
152.98242	2.8
153.99103	0.9
161.02455	1.7
161.09416	1.0
166.94540	1.1
166.99863	1.1
168.71870	1.0
169.01424	2.0
174.03227	2.8
177.01949	3.8
179.96991	1.6
186.03247	1.3
189.01842	1.7
190.02692	1.8
201.01845	1.4
202.02686	4.6
213.01965	1.1
213.14882	1.2
214.02710	2.0
218.02182	18.3
219.02448	1.6
225.50214	1.1
229.01357	1.8
230.02295	6.2
245.00793	1.3
246.01669	2.9
258.01669	2.8
274.01160	3.2
289.03516	2.4
302.00632	15.1
303.01080	1.6
312.99692	1.3
317.02933	15.6
318.03400	1.9
330.00125	41.5
331.00592	3.0
345.02472	97.7
346.02875	11.9
360.04837	68.5
361.05042	8.1
374.68790	2.5
375.07162	100.0
375.20215	8.6
376.07437	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	375.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63484	0.7
59.01383	4.6
61.98826	100.0
66.90643	0.8
71.01394	0.9
71.24424	0.7
71.62730	1.1
72.99304	0.8
74.02464	4.3
74.99122	1.1
75.00858	2.3
78.88184	0.8
79.95739	1.8
83.01374	0.8
83.05030	1.6
85.02945	1.3
96.92605	0.8
96.96004	4.4
101.02431	1.1
111.08136	1.4
116.05061	1.3
120.99619	1.5
129.10338	3.9
130.08733	1.9
136.99107	0.7
145.05063	1.3
171.11406	1.9
174.85799	0.9
217.00235	1.9
222.10356	0.9
224.14700	0.8
242.11829	1.9
272.88867	0.8
331.14648	1.7
340.21045	1.6
360.05106	1.2
374.61679	1.2
375.07129	0.9
375.20386	1.2
376.18823	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	374.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.63388	0.5
57.03441	6.5
57.18411	0.6
59.01371	5.6
68.99818	1.8
69.03446	2.7
69.88773	0.9
69.89164	1.7
71.01376	7.1
72.99300	3.0
73.02923	0.6
79.90792	0.6
83.01395	3.0
84.02135	0.9
85.02946	23.9
87.00874	6.6
87.04504	1.4
89.02425	1.0
96.96010	1.9
97.02940	4.2
99.00854	4.4
101.02416	1.2
110.02414	0.6
111.00877	2.6
113.02438	1.5
115.03974	2.9
122.02451	0.8
122.68301	0.6
123.03256	21.7
124.03635	0.8
129.01932	20.0
138.05598	100.0
139.05980	4.5
141.01955	2.7
159.02992	4.1
162.20229	0.6
164.03510	1.8
182.04541	0.6
191.05579	10.1
191.56062	0.5
198.40063	0.7
209.06642	89.9
210.06937	4.0
259.01270	0.6
374.11081	10.6
374.15491	1.6
375.11288	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93101	0.8
52.72710	0.8
66.03471	3.9
66.66558	0.8
71.36659	1.9
76.34955	0.7
82.02972	7.5
94.02923	1.3
96.04539	0.8
104.53419	0.8
110.02467	42.0
111.02006	14.4
111.02757	1.8
117.01896	1.1
122.02464	3.8
124.04009	1.3
130.08730	76.0
131.09068	3.2
138.05582	1.3
140.03537	4.2
152.03537	5.9
153.03017	2.9
160.24586	0.8
200.05618	20.1
243.06181	100.0
244.06523	5.6
320.85269	0.8
334.28586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.1
55.19833	1.5
57.03429	6.0
59.01377	100.0
60.01712	2.2
61.98822	2.3
67.05508	3.1
69.50556	3.7
69.50961	9.9
71.01375	57.1
72.99301	3.3
73.02943	18.9
75.00844	2.1
77.72939	1.5
79.95731	6.7
80.96510	3.7
82.79124	1.7
83.01385	12.2
85.02948	29.9
86.00095	3.8
87.00877	15.3
87.04496	5.6
89.02442	19.2
95.01369	3.4
96.96002	91.8
97.02942	2.1
99.00861	6.7
101.02441	39.8
111.00892	2.2
111.04530	28.8
113.02447	23.2
118.98085	4.2
119.03463	8.2
123.04475	2.7
125.02419	2.4
129.01909	6.4
130.56924	1.6
134.03706	3.1
137.02412	2.2
137.06102	2.5
138.97055	2.1
143.03519	2.6
143.71719	1.8
149.09705	3.7
159.02939	4.9
161.02383	1.7
161.04523	14.8
165.04262	3.9
167.10751	11.0
179.05658	2.2
191.05588	2.9
209.06590	5.4
224.68262	1.7
239.12749	4.0
241.00166	13.1
299.25449	1.6
329.16086	11.7
356.11282	2.8
373.11401	38.9
373.14990	69.5
374.05505	25.2
374.10501	2.5
374.15891	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	373.186
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.64544	0.7
55.01870	1.8
57.03427	0.9
58.00584	3.1
59.01375	100.0
59.98965	0.8
60.01711	1.6
69.47622	0.8
71.01379	52.1
72.01718	0.9
72.99311	3.6
73.02944	1.8
74.89409	0.7
78.00455	0.8
79.95699	0.8
83.01384	4.3
85.02944	11.4
87.00903	1.9
88.57909	0.8
89.02438	59.1
90.02748	1.4
95.01364	4.0
96.95966	2.0
99.00850	1.2
101.02435	39.1
102.02837	0.8
108.02136	1.4
109.02955	1.5
113.02449	20.9
119.03493	31.4
123.00832	2.3
123.04519	1.2
127.13204	0.9
131.03468	2.6
132.04526	2.7
133.70642	0.8
134.06128	1.7
135.73056	0.7
143.03482	3.5
147.04514	2.2
149.04507	2.0
151.03987	0.9
152.07173	5.2
161.02380	1.2
161.04498	2.5
162.03191	1.4
163.03993	2.9
169.23096	0.8
177.05611	0.9
179.05598	4.4
188.04846	1.0
189.16093	0.9
193.04980	1.5
193.12329	7.7
194.12691	1.0
208.06067	1.3
211.13329	1.4
242.02144	0.7
297.12021	0.9
298.08405	2.5
313.10788	6.7
314.11179	0.9
325.10968	1.1
341.11368	3.0
343.11771	2.0
358.10281	1.3
373.13019	13.4
373.18567	46.1
374.13428	1.7
374.18881	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	373.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.7
59.01374	15.1
69.38350	1.0
69.38753	6.6
89.91899	0.8
93.03456	1.5
96.95998	1.7
98.20568	1.5
102.87279	0.9
121.10234	12.9
123.08150	1.3
125.09710	6.6
147.08115	1.9
185.11778	10.4
191.06775	1.1
197.11781	3.2
207.09998	3.4
211.13361	1.9
223.13318	1.3
225.00117	0.8
236.14275	0.8
245.19086	7.8
285.12061	0.9
291.19626	55.8
292.19983	6.9
311.16013	1.0
313.17819	100.0
314.18179	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	373.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32525	0.4
59.01376	6.1
71.01373	0.9
71.63486	0.6
72.90501	0.5
79.95715	0.6
80.05056	1.8
85.02956	0.4
89.02426	0.7
91.15587	0.4
94.06615	3.5
96.95953	2.4
101.02418	0.6
104.05053	8.8
106.06675	0.7
107.03764	5.2
108.04546	8.8
120.04539	0.9
122.06112	40.3
123.06450	1.5
124.07663	2.3
130.08662	0.4
132.04541	82.1
133.04901	4.4
134.06099	3.4
139.02763	1.6
144.04561	1.3
146.11095	0.4
148.04036	6.0
150.05609	1.8
152.07155	96.6
153.07504	4.8
160.04057	0.8
162.05531	0.5
166.05043	0.5
176.03513	10.0
184.71307	0.5
187.48329	0.4
188.03502	2.2
189.04108	0.7
190.05138	0.6
208.06113	4.1
239.11861	0.6
269.12915	4.7
273.12421	6.9
274.12787	0.8
288.84540	0.5
290.06592	0.4
297.12399	30.5
298.12708	4.0
313.11914	4.7
320.10593	0.5
323.10526	0.4
341.11374	100.0
342.11697	13.2
342.15897	0.5
358.54694	0.4
373.14032	20.3
374.05792	0.5
374.14377	3.1
377.23618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1285
Annotation	Shinjulactone C
Peak:m/z	Relative Intensity
54.40121	0.9
59.01381	7.6
71.01378	3.2
75.00851	1.1
78.40510	0.7
79.95731	1.1
85.02926	1.6
87.48377	0.8
89.02429	3.2
91.01852	1.2
96.95995	2.9
101.02415	1.5
103.90404	0.9
109.02940	13.1
111.00883	1.1
113.02458	2.0
119.03487	1.3
121.02943	16.8
122.03802	1.6
122.06118	1.8
123.00852	1.0
123.04535	3.1
124.01642	1.9
127.89006	1.1
132.04538	3.3
134.03735	3.4
135.04500	2.3
136.05293	3.8
137.02432	3.3
146.03737	10.2
147.04521	40.1
148.05290	7.1
149.02394	1.4
150.03206	6.3
151.03967	2.9
152.07133	3.1
158.03671	1.7
159.04510	14.1
160.05275	13.6
161.02390	3.4
161.06091	13.0
162.03140	2.7
162.06859	1.7
163.04012	4.5
164.04842	4.2
168.04195	1.5
173.06116	1.0
175.07619	12.5
177.05585	4.3
178.06328	3.8
193.04994	1.1
193.08662	2.3
252.07825	1.2
253.08685	1.3
254.05753	0.9
268.07343	7.7
269.08093	4.6
283.09744	14.0
284.10471	23.3
285.10901	2.0
297.11520	2.9
299.12775	9.1
313.11014	1.6
329.13913	100.0
330.14252	11.3
341.11447	3.0
343.11774	1.0
372.62570	2.7
373.12952	26.9
373.18378	2.7
374.13141	2.9
374.19220	0.9
393.17505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.2
59.64142	0.5
62.43778	0.5
65.76575	0.5
71.01368	2.1
73.02934	1.1
73.36245	0.6
79.95737	0.8
83.01372	0.8
85.02925	1.0
85.71690	0.5
89.02403	1.1
96.00938	0.6
96.96005	1.6
98.20626	1.6
99.00883	0.5
101.02409	1.3
107.70287	0.5
109.02956	0.9
111.21954	0.5
113.02444	0.9
119.80945	0.5
121.02926	0.8
135.98325	2.4
145.02939	3.0
146.03596	0.7
149.02406	2.8
159.04480	0.6
160.01631	1.0
169.02927	0.7
173.02448	0.5
185.02434	1.2
186.03159	1.0
187.55228	0.6
193.05049	0.6
193.06596	0.7
195.08110	1.7
197.06012	0.9
209.06068	0.7
210.06810	0.7
211.07545	2.6
221.06035	2.7
222.06870	1.1
223.07558	2.9
224.04747	3.0
225.05562	2.3
238.06273	3.0
239.07106	13.0
240.07381	1.3
248.04739	0.7
249.05493	4.8
250.06343	3.1
251.07101	3.6
252.04135	1.8
253.04918	1.9
253.08754	0.6
254.09425	1.0
265.05035	1.5
266.05844	6.6
267.06561	30.9
268.06836	3.3
277.05005	4.5
278.05826	4.4
279.06537	5.7
280.07349	3.9
281.08057	1.2
282.08826	2.6
293.08066	2.6
294.05536	1.1
294.08942	3.1
295.06082	92.6
296.06454	9.0
297.07755	1.6
309.07690	5.5
310.08414	51.8
311.08682	5.8
325.07370	4.2
325.10748	100.0
326.07440	1.3
326.11139	13.4
340.09445	2.4
355.11780	1.4
358.10367	1.1
373.12863	21.4
373.22101	1.3
374.13354	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	373.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84054	0.6
59.01373	21.8
61.98816	1.7
71.01382	3.4
71.62743	0.9
72.99287	0.7
73.02958	1.0
82.19350	0.7
85.02934	1.3
87.00900	0.9
89.02430	1.4
96.00859	1.0
96.96005	2.8
99.00867	0.8
101.02441	2.0
102.36954	0.8
103.30782	0.7
109.02938	1.2
113.02504	1.0
121.02943	0.7
135.04570	1.1
135.98354	1.4
137.02504	0.9
145.02931	2.4
146.03734	1.8
149.02432	4.0
149.06192	0.7
161.04587	1.6
164.04860	1.2
165.05566	0.9
173.02478	0.9
185.02464	1.0
186.03261	1.0
193.06541	0.7
197.05989	1.6
202.51988	0.7
211.07616	3.1
221.06018	2.1
222.06706	1.2
223.07635	2.4
224.04764	3.0
225.05551	3.2
229.65573	0.7
237.05652	1.7
238.06314	4.2
238.11707	0.6
239.07111	13.8
240.07550	1.2
249.05589	4.5
250.06224	3.5
251.07065	4.6
252.04164	2.0
252.07706	0.9
253.04968	2.3
254.09479	0.8
265.05109	1.0
266.05832	5.8
267.06583	31.1
268.06943	3.3
277.05081	4.5
278.05643	4.2
279.06577	6.9
280.07294	3.2
281.08139	1.9
282.08759	1.6
293.08133	3.0
294.05322	2.1
294.08957	3.4
295.06085	94.0
296.06418	10.8
297.07724	1.4
298.08148	0.9
309.07635	5.8
310.08432	53.3
311.08682	5.2
325.10751	100.0
326.07275	1.3
326.11063	13.7
340.09326	2.5
355.11850	1.6
373.12863	25.2
373.22427	1.3
374.13260	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	373.1136
Annotation	Citrifoside
Peak:m/z	Relative Intensity
54.41970	1.1
56.27162	1.0
59.01373	18.4
61.98831	3.0
71.01379	13.9
71.26286	1.7
71.26633	1.1
72.99306	6.2
73.02941	2.2
73.04054	1.4
75.00873	3.0
82.02987	1.5
83.01395	2.4
85.02971	4.5
87.00881	3.4
87.05665	1.0
88.04061	2.8
89.02422	7.4
95.01409	1.9
96.00930	2.3
96.95995	10.5
98.02472	2.0
98.95618	1.7
99.00884	2.0
101.02429	8.0
108.02164	31.8
109.01732	1.9
109.02948	14.8
111.00878	1.0
113.02450	2.9
113.03581	3.0
119.03529	2.1
121.02966	3.0
122.03726	6.6
123.00900	5.4
123.03239	1.7
123.04537	18.5
124.01669	6.7
127.05166	4.3
128.03531	5.9
129.01961	1.8
130.08743	6.3
132.02202	2.5
133.02959	1.4
134.03737	8.4
135.04552	1.7
136.01694	2.1
137.02473	3.7
137.06070	6.2
138.05562	5.9
139.04037	1.7
144.07797	1.2
145.06206	4.7
148.01738	2.5
149.06093	2.5
150.03215	36.6
151.03947	3.8
153.01942	1.8
153.05550	6.1
162.03270	1.2
163.03992	1.8
164.01146	2.4
165.01912	32.0
165.03191	2.1
165.05528	10.5
166.02704	11.5
167.03540	4.0
169.05043	5.3
175.03976	1.2
177.02000	3.3
178.02696	32.0
178.04199	1.7
179.03398	3.9
180.04149	1.2
181.05040	30.5
182.05386	1.7
193.05032	100.0
194.05424	4.5
195.03015	2.1
197.12981	4.2
209.06628	4.9
210.07776	2.4
211.06064	22.8
212.06534	1.2
214.08521	1.0
235.06204	1.0
241.00252	2.0
241.11897	7.8
259.01352	1.1
315.10999	1.6
323.13513	1.7
328.07950	8.6
329.08472	1.2
336.68274	1.1
338.13525	5.3
343.10284	80.2
344.10565	7.6
355.10513	18.5
355.16275	4.8
356.10788	1.6
356.14868	1.9
373.07712	6.0
373.11578	49.5
373.17151	5.1
374.11893	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	373.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.09725	0.5
57.03436	1.4
59.01377	10.7
61.98816	0.9
67.92454	0.4
71.01382	6.7
71.62360	0.5
72.99300	1.7
73.02938	1.2
73.04053	2.2
74.02471	2.1
79.95737	2.8
80.96515	2.0
83.01389	1.9
85.02943	7.8
85.06620	0.8
86.26128	0.5
87.00845	2.5
89.02441	3.1
89.77668	0.5
90.92365	0.4
95.01415	0.5
95.05017	0.8
96.96004	82.7
97.02946	1.4
98.95580	1.3
99.00889	1.2
101.02447	3.7
102.05650	0.6
104.03545	1.2
109.02998	0.6
111.00848	1.3
113.02467	2.1
115.04088	0.5
115.05077	0.6
115.08765	0.8
119.03510	0.8
122.97602	0.8
123.03254	8.9
123.04114	0.6
123.04536	0.9
124.01632	0.5
124.04070	0.4
125.02415	0.9
128.03514	1.6
129.01944	4.5
129.10339	2.4
130.08661	0.5
131.07149	1.3
132.04858	1.1
135.04483	0.6
136.07660	0.7
137.02423	2.0
137.06088	0.6
138.05598	36.8
138.97060	3.0
139.04022	1.5
141.01929	0.8
141.10359	1.0
149.06136	0.6
149.09734	5.3
150.97055	1.0
151.03961	1.5
152.04755	0.8
153.01923	1.3
153.05586	0.5
157.02650	0.5
159.02960	1.0
164.03473	0.7
164.98544	0.6
165.01930	0.8
167.07025	0.7
168.06641	0.7
169.05038	4.2
178.02719	1.7
179.03506	0.7
180.00645	1.8
180.98044	1.2
181.01395	1.4
181.05072	1.3
182.02150	0.5
186.12485	1.2
191.05539	2.4
193.05043	2.7
195.02982	4.4
195.06580	0.5
196.03740	1.2
197.04413	0.7
198.99112	1.0
207.81361	0.6
209.06647	17.4
211.05902	1.0
218.10394	0.5
238.92441	0.6
241.00262	4.0
242.18716	0.9
259.01416	2.6
277.11948	0.7
293.12299	1.1
343.19827	2.4
358.08966	0.7
373.11642	100.0
373.21213	6.7
374.07724	1.2
374.11774	8.0
374.15665	0.8
374.20850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0926
Annotation	Casticin
Peak:m/z	Relative Intensity
56.74036	0.4
59.01357	1.4
61.78894	0.4
61.98824	0.8
65.00295	1.5
70.99226	0.8
85.81324	0.4
88.42595	0.4
94.36310	0.4
96.95967	0.8
96.99295	0.6
110.00070	1.2
111.00122	0.4
111.00858	1.4
120.26577	0.4
123.00863	1.3
136.98795	3.6
137.99562	0.4
139.00345	0.6
151.00322	1.1
161.02382	0.5
161.99536	1.4
164.98283	1.5
165.99045	1.2
178.99902	0.6
182.54495	0.4
183.04442	0.8
185.02362	1.7
186.03006	0.5
187.00288	0.5
189.01878	0.4
189.99089	0.5
197.02405	0.6
199.04008	0.6
200.04784	0.6
201.01874	0.9
203.03473	1.1
210.03278	0.4
212.04726	0.8
213.01932	5.0
214.02649	0.5
215.03357	0.6
216.04286	0.5
217.01448	0.7
225.01921	1.5
226.02711	0.5
226.99727	0.6
227.03423	2.2
228.04327	2.6
229.01355	1.4
230.02171	1.0
231.02699	0.4
238.02763	0.5
241.01373	10.3
242.02043	2.4
242.99384	2.5
243.02899	0.8
243.06584	1.3
244.03638	0.8
245.00790	0.6
245.04408	0.6
255.02995	2.3
256.03732	6.5
257.00888	3.0
257.04117	0.7
258.41168	0.4
269.00891	5.1
270.01303	0.7
271.02493	0.9
271.06036	0.9
272.03271	3.5
282.01648	1.3
283.02405	1.5
284.03311	3.2
285.00381	24.1
286.00644	2.3
287.05557	1.1
297.00360	9.7
298.00797	1.1
299.01831	1.3
299.05563	1.9
300.02750	10.9
301.03043	0.9
304.02203	1.7
310.01108	0.8
311.02011	1.2
312.02756	4.0
312.99878	8.7
313.03253	0.8
314.00317	0.9
314.04041	1.0
315.05072	16.5
316.05408	2.1
325.03558	1.4
327.01300	0.6
327.04932	0.9
328.02200	11.6
329.02637	1.0
342.03784	0.7
343.04544	45.8
344.04865	4.8
357.06149	0.8
358.06897	95.5
359.07224	12.2
373.09241	100.0
374.09586	12.8
374.14218	0.9
398.77493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0928
Annotation	5-O-Methyloxyayanin-A
Peak:m/z	Relative Intensity
58.32051	0.4
59.01374	3.4
61.98828	1.2
62.32310	0.6
63.02391	1.0
65.00320	0.6
69.89753	0.9
69.90092	2.6
71.01353	1.6
72.90681	0.6
72.98936	0.6
72.99304	6.1
73.02937	0.6
75.00875	4.3
79.95734	1.4
83.01390	0.8
85.02934	1.8
87.00854	0.6
89.02402	0.7
93.03448	1.5
96.96012	2.6
97.03004	0.5
101.02448	0.6
107.01357	1.5
108.02164	4.5
109.02953	0.9
113.02387	0.6
119.01355	1.1
121.02967	0.7
123.00875	1.3
134.03700	0.6
135.00871	5.4
136.01662	9.0
137.02446	6.4
147.00854	1.1
148.01692	0.7
149.02440	4.2
149.50856	0.5
151.03955	0.6
161.02394	2.1
162.03206	7.5
163.00362	23.9
164.01147	3.5
164.02417	0.6
173.02448	0.9
174.03169	1.2
176.01125	1.3
177.01955	1.2
183.04433	1.0
189.01888	5.8
193.12233	0.9
199.03978	1.4
201.01968	0.8
202.02672	2.0
203.03349	0.7
209.13695	0.6
211.03998	3.5
214.06313	0.8
223.04066	0.8
227.03545	3.0
229.05049	0.7
239.03461	3.8
241.05019	1.0
242.05620	0.5
243.02808	0.8
251.03476	0.5
253.04898	0.9
254.05682	0.9
255.02959	6.9
256.03577	1.0
259.60400	0.5
267.02957	2.9
268.00082	0.8
269.00583	1.0
269.04535	1.3
270.05072	0.7
281.04626	0.8
282.05356	0.9
283.02475	12.1
284.02875	1.2
295.02466	5.6
297.04007	2.1
298.04794	9.1
298.07935	1.0
299.05121	1.1
309.04181	0.9
311.01959	15.4
312.02206	1.6
315.18875	6.3
315.68869	2.8
316.19083	0.6
325.03464	0.8
326.04282	33.7
327.04709	3.9
331.93753	0.7
341.06622	100.0
342.06964	12.3
343.04510	0.7
373.09259	38.3
373.19241	4.2
373.25980	0.9
373.69666	2.4
374.09668	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	373.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20819	0.6
59.01336	3.3
60.78889	0.8
61.98798	1.6
63.02368	0.8
69.58147	5.1
71.01331	2.9
71.04987	0.9
72.99309	10.6
75.00861	10.5
85.02937	3.4
87.00845	1.3
91.28413	0.7
93.03380	1.0
95.01333	1.9
96.95974	1.5
102.78880	0.6
108.02122	1.1
113.02405	1.7
113.51839	0.7
115.00332	0.7
119.01378	1.0
121.02897	1.7
130.99815	0.9
134.99895	0.8
135.00865	8.2
136.01619	0.8
137.02426	1.1
146.02049	0.8
147.00813	1.3
151.03912	1.1
163.00356	31.0
164.00870	1.3
178.02641	1.6
183.04350	1.4
193.04941	1.3
195.04460	0.8
199.03937	1.1
207.20494	0.9
211.03905	2.8
221.08093	2.6
227.03438	1.9
228.03966	1.0
230.32059	0.7
239.03484	3.5
243.45584	0.9
255.02895	4.3
263.16467	0.8
267.03049	4.4
269.04510	1.8
280.03751	2.2
282.05258	1.0
282.99338	1.3
283.02463	24.1
284.02911	3.2
297.03998	4.4
298.04782	18.8
299.05197	2.1
311.01953	37.1
312.02332	3.6
313.07083	7.6
314.07449	1.0
315.18848	14.4
315.69012	5.2
325.03403	3.5
326.04263	14.4
327.04721	1.6
341.06619	100.0
342.06912	11.2
373.09247	32.5
373.14105	1.2
373.19305	8.5
373.69498	1.2
374.09531	3.5
374.19012	0.9
379.94467	0.8
385.45502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74374	3.4
59.01373	15.6
60.31221	3.3
61.84364	3.4
61.98825	100.0
65.92642	3.3
71.61983	8.0
73.64944	3.1
83.01402	10.4
86.76785	3.5
107.37048	3.8
119.08787	3.7
151.04022	4.1
228.92230	4.0
315.25308	7.8
340.06516	4.3
372.15219	10.3
373.21072	10.5
373.27463	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	373.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01089	0.9
59.01376	15.9
61.98826	1.0
69.03441	1.9
69.07724	0.5
69.27136	2.6
69.27562	2.3
70.01270	0.4
71.01379	8.8
72.99297	1.8
73.02948	1.6
73.04039	1.0
73.58504	0.5
74.02491	0.8
79.95735	2.1
80.96522	1.6
83.01389	2.1
84.04547	0.5
85.02948	7.5
85.06583	2.4
87.00871	5.4
87.04500	0.8
89.02435	6.0
94.06644	0.7
95.01382	1.0
96.96004	100.0
97.02947	3.3
98.19896	1.3
98.95634	0.7
99.00873	2.8
101.02438	4.1
102.05627	1.8
109.02934	3.9
109.06551	1.4
111.00886	0.7
113.02457	2.8
113.06097	1.4
115.00349	1.6
115.03994	0.8
119.03478	2.4
119.05018	1.5
120.99618	0.7
121.02923	2.4
122.03758	0.9
128.03532	3.7
129.01924	3.1
129.03833	0.8
130.08737	1.0
131.07124	8.6
132.04829	0.8
133.02957	0.6
135.04536	2.6
136.04039	0.7
137.06075	7.5
138.05606	3.2
138.06503	0.6
138.09282	0.7
138.97070	1.4
141.01938	2.0
146.04620	0.7
147.04434	0.6
148.05199	0.7
149.06082	7.3
149.09718	0.6
151.03949	0.8
152.07152	2.4
159.02989	1.0
161.02402	1.9
165.00197	1.0
167.07028	0.6
168.98116	1.2
169.05002	0.6
175.02428	1.2
175.03952	1.4
177.01894	2.3
181.05046	13.6
189.05612	0.6
191.05603	1.9
193.05014	1.4
206.02161	0.7
209.06598	2.9
211.04276	1.5
211.07169	1.3
212.53180	0.5
219.02942	2.6
233.04524	1.7
237.03995	3.7
240.97960	1.0
241.00212	15.1
242.00513	0.7
242.18730	0.7
243.17088	0.8
244.17316	0.8
259.01257	33.3
260.01523	1.0
274.98978	1.6
277.03638	2.7
293.06949	0.5
293.12399	9.3
315.40390	0.5
323.07779	2.4
337.05640	7.6
338.06067	0.8
372.21335	1.0
373.08023	60.7
373.11624	18.8
373.20975	3.1
374.05533	2.5
374.08817	2.5
374.11728	2.1
386.30185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94862	0.5
57.03447	0.7
59.01379	6.9
59.69379	0.5
61.98830	8.0
71.01379	4.3
71.40989	0.5
71.41319	1.0
72.99309	0.9
73.02928	0.5
74.02422	0.4
79.95734	3.6
80.96510	2.3
83.01382	5.0
85.02940	5.3
87.00864	1.5
88.92892	0.4
89.02445	1.3
95.95243	2.1
96.96008	73.9
99.00896	0.7
99.04515	0.7
101.02451	2.9
106.72492	0.5
108.02168	1.5
109.02977	1.2
111.00916	0.7
113.02445	1.2
114.05624	0.7
121.02951	2.1
122.03738	3.3
122.97594	1.0
123.04530	14.5
127.05114	0.5
128.03569	0.7
129.01935	2.7
134.03731	1.0
135.04532	2.9
136.05266	0.8
137.02443	2.0
138.97070	1.6
150.97070	1.0
151.03966	0.9
157.17436	0.5
159.03004	1.0
160.84167	0.6
161.02408	1.4
164.98477	0.8
167.03517	2.5
177.04024	1.1
179.03523	1.0
180.98064	0.8
191.05446	0.8
191.07106	0.5
193.04967	0.5
209.06636	15.2
210.07014	1.0
241.00224	4.4
244.57512	0.6
256.99774	1.0
371.10147	100.0
372.10449	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	371.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38420	1.0
53.39196	1.0
55.01867	1.4
57.03430	3.3
59.01380	9.0
70.04813	3.4
71.01374	9.4
72.99311	1.0
73.02935	3.2
75.00872	1.0
79.95726	10.1
80.96516	15.1
83.01395	4.6
84.02172	1.2
85.02950	14.1
85.70143	1.2
87.00867	8.3
89.02439	2.0
89.12802	0.9
90.86764	1.1
94.98067	1.0
96.96004	59.3
97.02969	1.0
99.00864	4.2
99.04525	1.0
101.02470	4.5
101.48898	0.9
102.05595	2.1
103.00345	1.4
108.02139	1.5
111.00887	13.5
113.02440	3.6
115.00341	1.3
120.95984	1.5
121.02933	1.1
123.04503	2.5
127.00355	1.5
128.03508	3.2
129.01920	13.6
134.03745	1.3
135.04518	8.9
137.02449	1.0
138.05588	1.0
138.97050	4.3
154.96539	1.0
159.02946	3.9
161.02380	3.0
161.04503	1.3
164.08405	16.9
165.09100	0.9
167.03477	2.8
179.03517	5.8
209.04811	1.5
209.06639	45.9
210.06993	3.4
210.99182	1.7
237.70924	1.0
238.98633	15.2
241.00159	8.8
256.97012	1.8
256.99716	34.4
275.49606	1.0
281.97510	1.2
366.56955	1.1
371.10077	100.0
372.10519	10.9
372.21292	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03444	7.9
58.00599	1.5
59.01375	33.6
60.01734	0.5
63.95218	0.3
67.01898	0.5
68.75692	0.3
68.99824	1.2
69.03465	1.3
70.62608	0.7
71.01378	21.0
72.99305	3.2
73.02953	1.9
75.00867	4.2
75.01228	0.4
83.01382	3.1
84.02163	2.1
85.02945	38.6
86.03310	1.1
87.00868	10.7
87.04542	1.0
89.02438	21.1
89.08696	0.3
90.02785	0.7
91.05529	0.4
93.03439	0.8
95.01383	2.5
96.96005	4.5
97.02399	0.3
97.02969	1.4
99.00869	4.9
101.02440	9.2
101.03078	0.6
102.30565	0.5
102.52618	0.4
103.00372	0.6
107.05043	0.6
109.02973	0.4
111.00869	3.0
113.02442	12.0
115.00370	0.6
115.04020	0.9
117.01960	0.9
119.03490	7.3
121.02946	23.1
122.03306	0.8
122.58886	0.4
128.03506	0.5
129.01936	16.3
130.02235	0.5
130.08743	0.7
131.03494	1.1
133.02974	2.5
134.03789	2.0
135.04517	19.4
136.04857	1.1
141.01944	1.9
143.03476	0.8
147.08145	0.6
149.04567	0.5
149.06052	0.4
151.00311	0.8
159.02988	3.9
161.02431	6.8
161.04565	1.3
162.02419	0.9
166.02708	0.9
175.02492	0.8
179.03491	10.3
179.05582	2.9
180.03793	0.5
181.05022	1.2
191.05539	1.2
191.07126	5.9
192.07494	0.6
193.03461	0.6
193.05037	1.3
206.29071	0.3
208.07336	1.6
209.06641	100.0
210.06985	4.6
223.09706	2.4
231.05060	0.7
241.00223	0.9
249.06123	6.1
249.08450	0.6
311.10834	0.4
353.08591	1.5
371.09735	36.3
371.13388	2.7
372.10150	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	371.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01375	100.0
60.01711	0.9
62.33740	0.3
63.30212	0.4
70.46583	1.2
71.01362	1.7
72.99345	0.4
73.02950	0.4
83.01369	1.0
85.02946	3.4
87.00888	1.3
87.88784	0.4
89.02443	1.1
96.96012	0.8
97.02955	0.6
101.02468	0.7
111.00851	0.5
113.02432	0.7
115.01956	0.4
116.10567	0.4
119.03496	0.7
121.02958	0.8
128.03598	0.4
129.01895	2.3
130.08725	5.6
133.02968	0.8
135.04520	2.4
136.11330	0.4
140.07222	0.7
145.06226	0.6
159.02940	0.7
161.02448	1.0
163.11285	1.7
167.03497	0.4
179.03557	1.5
180.10345	1.9
195.09859	0.4
197.12941	0.7
199.18106	0.5
209.06647	13.0
216.23979	0.4
223.10999	0.5
241.11922	0.6
243.17070	0.4
267.36002	0.4
269.10172	0.6
310.21146	0.5
354.20193	2.0
370.61035	0.4
371.09570	2.9
371.17264	4.2
371.21915	0.6
372.10742	0.9
372.16968	0.7
372.21280	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61016	0.7
55.01879	1.5
57.03451	1.5
58.00588	2.0
59.01375	100.0
60.01712	1.0
61.98807	1.1
63.02388	0.9
69.03455	0.7
69.54714	5.1
71.01378	38.4
72.99313	2.4
73.02942	31.5
75.00858	3.2
79.95717	0.6
83.01378	9.7
85.02944	12.9
87.00868	2.2
89.02441	18.0
93.03519	0.7
95.01408	3.1
96.96007	4.0
97.02975	0.8
98.19842	0.8
99.00883	2.7
101.02438	29.2
102.02751	0.8
113.02438	22.1
113.03232	1.1
114.02820	0.7
116.05076	1.2
119.03512	5.2
120.99723	0.7
121.02949	17.0
123.00884	1.2
123.04516	1.1
125.02502	1.0
129.01978	0.8
130.08690	3.2
131.03535	2.4
134.03729	12.6
134.98170	0.6
135.04515	2.1
143.03511	2.2
146.02530	1.4
149.04800	1.2
149.06059	11.8
151.00372	5.0
152.01091	1.0
152.04836	0.7
155.03586	0.9
161.04538	4.1
162.02298	1.3
166.02679	4.4
167.03523	1.5
167.07161	1.1
179.03632	0.7
179.05548	0.8
203.08282	1.9
206.04506	0.9
209.05016	0.9
209.06586	4.3
249.06140	12.2
291.13535	0.9
311.11334	16.0
311.14703	0.8
312.11804	1.4
329.12402	9.2
330.13043	0.8
371.09787	17.8
371.13348	1.6
371.17630	0.9
371.23227	2.0
372.10306	1.6
372.15549	1.5
372.21655	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	371.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01379	4.9
62.42630	0.3
67.33031	0.2
70.01378	1.4
71.01385	2.5
72.99307	0.7
73.02938	0.8
73.43347	0.3
75.00872	0.4
79.95731	4.2
80.96514	2.4
83.01376	2.8
85.02943	2.4
86.00122	0.3
87.00872	0.6
87.76898	0.3
89.02434	0.3
95.01333	0.3
95.47918	0.2
95.95250	1.0
96.96006	83.5
97.02943	0.5
97.95945	0.4
98.95559	0.7
99.00862	0.7
101.02445	2.0
103.01659	0.3
104.87055	0.3
113.02439	0.8
121.02958	0.8
122.97591	1.0
123.00938	0.3
129.01923	0.7
130.08740	0.9
132.87289	0.3
138.97055	2.1
150.97081	1.9
164.98587	0.5
180.98163	1.1
191.05626	0.5
196.09821	0.4
198.99138	0.5
225.00648	0.4
241.00208	4.0
246.08347	0.7
256.99759	0.4
275.10526	1.5
275.60559	0.6
327.19238	0.8
370.63150	2.0
371.13760	100.0
372.14124	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	371.1707
Annotation	Aurantiomide A
Peak:m/z	Relative Intensity
55.71734	0.5
57.03445	0.8
58.00589	1.1
59.01376	84.4
60.01709	0.9
60.31082	0.5
68.00008	0.5
69.03470	1.9
69.35988	4.2
71.01376	6.6
72.99313	1.5
73.02956	1.9
79.01898	1.1
79.95739	1.6
80.96513	0.7
83.01391	2.0
85.02946	5.0
87.00862	0.8
89.02425	4.8
91.01885	1.3
95.01398	0.7
96.95999	4.4
97.02935	1.0
98.95589	1.0
99.04544	0.6
101.02423	3.9
103.03999	2.9
107.01383	2.4
109.02969	0.9
109.06573	0.8
113.02486	1.2
119.03510	1.0
121.02939	1.2
125.02444	1.8
130.08739	0.7
135.00864	5.4
151.00366	1.9
163.11276	5.1
166.02693	12.6
167.03479	11.8
167.07083	0.6
180.06691	0.6
207.10225	14.5
208.10617	0.8
209.04750	0.8
209.06619	1.0
311.07468	0.9
370.60559	2.5
371.09680	3.3
371.17053	100.0
372.17453	14.7
388.25909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03439	8.0
59.01377	11.7
68.99810	1.2
69.03483	0.9
70.36958	0.8
71.01381	9.7
71.39381	1.8
72.99296	4.3
73.02948	1.5
75.00873	6.4
78.05927	0.6
78.47324	0.7
83.01382	2.9
84.02155	2.1
85.02942	31.3
86.03260	0.9
87.00867	11.8
88.16228	0.7
89.02451	4.4
89.99298	0.7
95.01365	2.1
97.02950	1.7
99.00871	6.6
101.02455	2.1
103.00378	1.3
111.00861	3.4
113.02441	11.2
117.01913	1.6
119.03496	0.8
121.02947	37.0
122.03284	1.3
129.01933	15.9
133.02966	1.3
134.03740	1.0
135.04520	19.8
136.04892	1.2
141.01970	1.8
159.03006	3.8
161.02420	6.2
175.02477	1.4
179.02271	0.8
179.03528	8.8
191.05551	1.0
193.03549	1.6
209.06644	100.0
210.06990	5.7
231.05270	0.9
249.06110	8.6
353.08661	1.7
371.09784	41.3
372.09958	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	371.0979
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
50.48189	0.7
53.43568	0.6
55.01865	0.9
55.71738	0.7
57.03428	2.1
59.01377	17.3
64.80221	0.9
67.01880	1.3
68.99821	2.2
69.03461	2.0
70.77707	1.6
70.78076	1.5
71.01377	17.2
72.96074	0.7
72.99302	4.7
73.02928	2.9
75.00870	16.5
81.03454	1.2
83.01369	1.4
85.02950	20.3
86.03325	0.8
86.53911	0.7
87.00870	6.5
89.02439	4.8
91.04001	0.9
93.03465	1.8
95.01389	4.8
99.00870	9.9
103.00374	2.1
109.02957	0.8
111.00874	1.7
113.02448	24.5
114.02776	1.2
115.00349	1.4
117.01909	3.5
121.02948	100.0
122.03288	4.5
129.01950	2.1
131.03513	0.8
157.01495	1.1
175.02499	2.7
181.41164	0.8
189.03992	1.1
200.38506	0.7
206.52708	0.8
231.05090	6.3
234.49097	0.7
249.06122	74.7
250.06436	5.2
353.08792	1.8
364.22250	0.8
371.09793	64.8
372.10046	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	371.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57986	0.5
55.01890	0.6
56.71891	0.4
59.01368	5.3
61.73221	0.4
61.98811	1.5
69.03445	0.6
69.65833	2.9
71.01373	3.1
72.99297	0.9
73.02917	0.8
75.00880	1.0
79.95734	4.7
80.96516	2.6
83.01386	4.3
85.02946	2.7
87.00888	0.7
89.02406	0.6
93.03450	0.9
95.95232	1.0
96.96005	71.9
98.95601	2.5
101.02434	1.5
108.02176	5.1
109.02951	15.9
111.00853	1.0
113.02428	1.1
115.05486	1.4
119.04996	2.4
121.02927	2.9
122.97572	0.7
123.04515	1.2
129.01912	0.9
129.03435	0.6
130.04178	0.6
130.08734	1.3
131.04999	1.1
134.03741	0.9
136.01608	1.0
136.05270	1.3
137.02400	0.8
138.97046	2.5
145.02937	3.1
146.03728	14.8
147.04532	10.2
148.04845	0.7
150.97023	1.4
151.03947	1.8
158.03694	4.3
159.04503	16.6
160.04858	1.2
161.02460	0.8
162.03180	2.8
164.98682	0.7
170.41014	0.5
173.06021	0.5
174.03224	2.1
175.03986	13.2
176.04395	0.8
177.05560	2.2
178.02664	0.7
180.98055	0.7
190.60100	0.5
193.05099	0.6
193.08545	0.5
198.06747	0.5
198.99149	0.6
209.06561	2.1
211.07553	2.7
219.03018	1.5
222.06586	1.4
225.05499	1.0
229.84966	0.5
239.07140	4.2
240.07837	1.2
241.00276	2.8
246.08310	2.2
247.04625	0.5
247.08208	0.6
249.05986	0.6
250.06271	0.8
251.07137	1.5
252.07837	1.5
256.99829	1.1
267.06586	8.7
268.07364	72.3
269.07693	7.4
275.10440	0.9
276.11255	1.3
283.09729	100.0
284.10071	11.9
327.08691	6.3
327.19211	1.6
328.09222	0.8
371.13809	78.0
371.23941	1.6
372.14160	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	371.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03446	3.4
58.00604	1.2
59.01374	23.6
65.29047	0.5
67.01894	1.3
68.99813	2.4
69.03436	1.6
69.12231	0.5
70.01881	1.2
70.02267	1.2
71.01376	22.6
72.39503	0.5
72.99295	4.1
73.02943	3.2
75.00870	20.1
81.03458	1.6
83.01369	3.2
85.02946	24.9
86.03310	0.6
87.00877	8.5
89.02431	5.3
93.03442	1.9
95.01379	6.4
96.96011	2.0
99.00871	11.2
101.02448	2.5
103.00368	2.9
109.02985	0.7
111.00887	1.6
111.04462	0.8
113.02441	28.5
115.00365	2.2
117.00659	0.5
117.01925	3.2
121.02944	100.0
122.03273	3.7
129.01918	2.3
134.03729	2.0
149.06032	0.8
157.01454	1.0
161.02501	0.7
167.03456	0.8
175.02463	2.6
177.04063	1.4
181.31036	0.5
189.04001	1.3
193.05083	0.6
195.05095	1.5
209.06604	2.1
231.05075	7.3
243.06902	1.7
249.06117	71.3
250.06483	4.3
253.62410	0.5
311.08084	0.6
311.11380	1.9
316.46213	0.5
329.12570	0.5
353.08911	1.8
371.09790	64.3
372.10162	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	369.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70598	0.2
59.01400	0.4
67.27426	0.3
71.01389	0.6
71.01750	0.5
71.02065	0.3
79.95728	1.3
80.96513	0.4
82.37777	0.2
85.02926	0.4
95.95257	0.5
96.96004	100.0
97.95940	0.5
101.02438	0.4
241.00237	0.5
256.99704	6.2
257.99915	0.3
369.12192	53.5
370.12466	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	369.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50240	0.3
59.01381	2.0
71.01383	1.4
73.02945	0.4
79.95734	3.4
80.92892	0.3
80.96510	2.4
83.01380	0.3
85.02953	1.2
87.00882	0.4
88.28037	0.3
95.95222	1.6
96.96002	91.2
97.95919	0.4
101.02433	1.2
101.16093	0.3
109.27931	0.3
122.97585	1.5
138.97057	2.5
150.97041	1.3
154.42189	0.3
164.98602	0.7
168.98088	0.3
180.98085	1.2
198.99120	0.7
241.00212	2.5
241.52649	0.3
297.69351	0.3
369.12180	100.0
370.12506	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	369.3003
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
59.01367	1.1
61.98818	0.8
62.14631	0.6
69.63027	3.0
69.63458	1.9
71.01389	0.7
84.04406	0.7
85.15956	0.7
87.00854	2.0
92.92786	1.9
105.01929	2.3
135.31116	0.7
193.12383	1.2
253.21675	1.2
262.47504	0.7
263.03574	0.8
281.24905	2.5
299.52881	0.7
305.28561	0.9
307.30038	63.2
308.30380	9.0
325.31216	1.7
351.28995	18.5
351.86301	0.8
352.29416	3.1
369.30063	100.0
370.30371	14.4
387.19287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03445	3.9
59.01094	0.6
59.01376	10.5
60.99305	0.5
61.98830	0.3
67.01871	0.6
67.32973	0.3
68.03937	0.4
68.99805	1.2
69.03455	1.7
70.19946	1.4
71.01373	10.3
71.05032	0.4
72.99306	2.3
73.02927	1.1
74.68331	0.3
79.95735	1.6
81.95355	0.5
83.01392	3.5
84.04544	0.6
85.02945	9.8
87.00882	1.6
87.04515	1.2
89.02428	6.6
91.56822	0.3
95.01369	0.6
96.95989	3.0
97.02950	2.8
98.95609	0.8
99.00878	3.6
99.04536	0.4
101.02433	3.9
102.98573	1.7
111.00883	2.2
113.02450	3.2
115.00356	0.6
115.03999	2.0
116.05052	100.0
117.04662	0.4
117.05402	4.3
119.03474	2.9
120.43346	0.3
121.02939	0.9
129.01935	13.7
130.02274	0.6
134.03731	0.5
134.06078	0.5
135.04524	0.8
138.97002	0.5
141.01924	2.3
147.11807	2.0
159.02969	2.3
161.02368	0.5
161.04543	0.4
162.02281	4.4
167.69150	0.4
173.04478	0.6
176.01129	1.0
177.01482	0.7
178.05072	16.7
179.05444	1.2
184.01996	0.9
191.05589	13.0
191.10756	1.2
192.05994	0.9
199.04346	1.4
209.06639	5.0
221.14110	0.4
241.00264	0.9
241.12746	0.8
241.28488	0.4
369.59860	2.8
370.11398	7.6
371.11536	1.2
371.17068	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	369.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93729	0.4
53.93617	0.4
57.03416	0.5
59.01377	5.4
61.98840	1.1
68.93037	0.4
70.64804	1.0
71.01373	3.7
72.99310	0.5
73.02927	0.8
75.64278	0.4
79.95732	3.2
80.96495	2.2
83.01371	0.6
85.02952	2.1
86.62070	0.4
87.00862	1.0
88.98776	0.5
89.02427	2.3
95.95232	1.3
96.96003	97.8
99.00882	0.5
101.02457	2.6
107.05032	0.5
110.97572	30.8
111.00861	0.5
113.02446	2.5
120.05287	0.6
123.00848	0.5
133.02945	0.8
134.04720	0.6
135.04546	1.0
138.97044	0.7
142.08839	0.4
159.30840	0.4
161.04514	0.4
170.08377	0.4
171.80193	0.4
175.76483	0.4
188.11342	0.4
191.05576	1.0
237.09805	1.5
238.98701	0.5
241.00203	4.9
256.99628	1.2
272.61746	0.4
281.09262	0.5
363.55505	0.5
369.04904	100.0
370.05222	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07102	0.7
54.02505	0.7
55.01853	0.9
57.03439	3.4
59.01374	11.3
61.56336	0.7
61.98827	1.4
67.01898	0.8
68.99818	1.2
69.03451	3.8
70.30486	1.8
70.30875	1.6
71.01378	8.7
72.99294	3.9
73.02935	2.0
77.03970	2.8
79.95728	5.4
80.96519	0.9
81.95341	0.7
83.01368	4.2
85.02954	10.5
87.00879	4.2
89.02421	1.4
89.03988	1.2
90.39439	0.8
93.03467	1.8
95.01419	0.9
95.05025	5.5
95.95241	1.7
96.96004	15.5
97.02953	5.0
98.95597	1.1
99.00871	4.0
101.02452	4.1
105.03452	16.9
109.02934	2.4
111.00870	3.0
113.02453	3.5
115.04009	1.3
121.02940	2.5
122.03780	1.4
123.04521	34.9
124.04884	1.3
129.01913	9.2
130.08740	1.4
132.02150	1.0
133.02945	100.0
134.03275	3.8
135.04478	1.7
139.04004	2.7
141.01938	3.3
146.08255	1.1
149.02428	14.8
150.03226	3.8
151.03995	10.1
152.61281	0.8
155.03502	1.2
159.02951	1.8
165.09198	1.8
173.04550	1.8
177.01912	32.9
178.02228	1.5
179.03403	1.1
191.05582	8.5
192.05806	1.1
194.02238	0.8
195.02960	10.2
207.10207	1.1
209.06694	1.0
222.02315	1.1
223.11642	0.9
233.06743	1.1
238.74153	0.7
241.00395	0.7
249.03972	1.8
256.99860	0.9
277.23044	0.8
348.86707	0.8
351.07141	1.2
368.59738	9.2
369.08215	19.4
369.15445	11.2
369.19269	0.9
369.59830	1.6
370.08603	1.7
370.15536	1.0
370.19492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
61.24087	1.4
61.98822	2.9
68.66097	1.3
70.94116	1.1
71.61940	1.6
77.01402	1.4
79.95744	1.7
96.96014	12.6
132.02168	22.1
134.02792	2.4
134.03728	21.2
137.02419	4.4
139.04056	1.6
139.23859	1.3
149.06039	5.8
160.01656	65.5
161.01958	1.9
175.03990	100.0
176.04353	4.5
178.02711	15.2
193.05046	27.3
194.05443	2.2
207.41647	1.4
331.23413	1.7
368.64255	2.1
369.14688	2.7
369.23029	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	368.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.2
59.01378	3.2
61.98835	0.6
70.76074	0.3
70.76434	0.4
71.01376	2.0
71.61145	0.2
72.01746	0.3
72.99295	0.2
73.02940	0.6
73.51460	0.2
74.99129	0.2
79.95722	0.2
80.96522	0.2
85.02942	0.5
87.00867	0.3
88.45243	0.2
89.02458	1.6
93.03449	0.3
96.95999	1.1
101.02435	1.3
113.02448	0.7
114.42284	0.2
119.05018	100.0
120.05355	5.0
127.05138	0.4
130.04242	1.7
131.04993	0.6
133.02975	0.3
144.04558	0.8
145.06165	0.4
156.99582	0.2
158.06049	0.8
161.04544	0.5
165.05469	0.3
179.05554	0.6
188.07147	4.0
189.07469	0.4
206.08258	0.9
223.10780	0.3
235.11838	0.3
236.12120	0.4
248.07719	1.0
256.99646	0.2
360.39636	0.2
368.13333	12.7
368.21335	1.5
369.08389	0.9
369.13464	1.6
369.17615	0.6
369.21390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94344	0.7
57.03435	1.9
59.01371	3.7
59.50204	0.7
61.71419	0.9
61.98801	0.9
70.04978	0.7
71.01382	2.7
74.02428	0.7
79.95736	7.1
80.96513	3.1
82.63872	0.8
84.04536	19.2
85.02960	1.3
87.00854	0.9
96.95999	39.3
99.02731	2.3
101.02449	1.3
111.00862	1.4
120.01173	0.9
129.01971	0.8
130.08705	1.7
134.03749	1.0
137.09734	1.5
138.97064	2.7
161.02055	1.1
162.02289	100.0
163.02576	3.4
176.04378	0.8
193.05118	0.9
239.11095	3.7
241.00201	6.8
256.99728	2.5
268.07440	1.1
307.98920	0.7
323.09290	1.7
337.03384	1.2
338.11462	1.0
339.08612	4.4
354.10962	3.2
367.59082	1.0
368.09567	5.0
368.59604	1.6
369.12286	25.4
369.22812	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	368.3167
Annotation	Semiplenamide F
Peak:m/z	Relative Intensity
51.18105	0.7
52.96736	0.7
61.98812	1.6
69.58948	2.9
69.59376	1.7
73.96538	0.7
98.19946	0.9
112.53716	0.6
130.08727	100.0
131.09097	3.3
156.60451	0.6
239.23819	0.9
312.78430	0.6
324.32571	4.6
368.31647	55.1
369.27609	1.3
369.31985	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	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21258	0.6
55.01880	4.4
57.03442	4.7
58.00589	1.8
59.01376	34.1
67.28479	0.6
69.03436	1.5
69.58630	1.6
69.59043	2.3
71.01379	52.0
72.01716	0.7
72.99307	2.8
73.02944	29.1
73.06591	0.7
74.03284	0.9
75.00842	1.7
75.86594	0.6
81.03468	1.1
83.01382	12.6
85.02949	28.1
86.00092	1.3
86.03277	0.7
87.00861	2.4
89.02446	10.6
93.29391	0.6
95.01376	3.1
96.96014	2.6
97.02961	2.7
97.33809	0.5
98.20580	1.4
99.00880	12.2
101.02437	60.5
102.02773	1.5
107.17997	0.5
111.00869	1.9
113.02447	22.9
114.02808	0.8
115.03982	1.3
119.03614	0.6
119.05025	13.7
125.02455	3.8
129.01915	1.2
131.03511	3.2
134.03712	2.1
143.03523	3.2
143.07199	0.6
157.07713	1.6
157.78506	0.6
159.02979	5.0
161.04543	20.7
162.04898	0.8
163.03978	10.3
173.33089	0.6
182.29672	0.6
193.05049	1.7
208.99051	1.7
219.07761	0.8
233.06596	2.8
235.11841	99.9
236.12184	6.8
293.08823	0.9
331.89343	0.6
367.16043	100.0
368.16394	9.6
373.02728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96156	3.3
59.01364	14.2
61.98824	100.0
70.82345	6.2
75.53047	3.1
95.06409	3.0
95.62523	3.3
96.96005	11.1
125.48130	2.9
142.56841	3.3
249.22215	5.5
293.21216	8.9
331.24701	3.7
367.08881	4.3
367.16452	6.3
367.25119	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	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12811	0.3
54.08747	0.4
59.01373	1.4
60.46835	0.4
61.98817	0.9
70.52683	1.1
85.23254	0.4
87.00851	1.1
98.20579	0.5
105.01942	4.4
109.08414	0.4
114.37415	0.4
127.07574	0.4
192.63846	0.4
200.40672	0.3
279.23254	100.0
280.23621	11.6
305.28564	1.3
349.27368	0.5
367.24719	1.3
367.28711	1.9
368.28723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15673	0.2
58.00604	0.2
59.01376	6.0
61.98815	0.6
68.34686	0.2
70.19858	0.4
70.20243	0.4
71.01373	2.8
72.51533	0.2
72.99291	0.3
73.02941	0.4
79.95722	0.4
85.02935	1.1
87.00861	0.5
89.02431	2.6
93.03442	0.5
95.01346	0.2
95.22301	0.2
96.95995	1.4
99.00870	0.2
101.02448	1.8
102.05589	0.3
109.78690	0.2
111.00875	0.2
113.02437	1.0
117.03461	0.2
119.05017	100.0
119.95614	0.2
120.05354	5.8
127.39002	0.2
128.03522	0.5
128.84358	0.2
130.04240	2.3
131.05003	0.6
133.02914	0.2
143.03442	0.2
143.26541	0.2
144.04529	0.8
146.04495	0.3
157.07619	0.2
158.06050	1.5
161.04523	0.4
163.04013	0.2
164.04333	0.2
165.05414	0.2
177.01785	0.2
178.88203	0.2
179.05550	0.3
188.07132	4.9
189.01895	0.3
189.07417	0.3
206.08206	0.8
248.07701	0.7
249.76694	0.2
256.99689	0.2
281.10559	0.3
296.94995	0.2
368.13428	8.4
369.08206	0.9
369.12436	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45887	0.3
58.40445	0.3
59.01374	3.4
71.01381	0.3
71.21065	0.5
79.95728	1.1
85.02959	0.6
87.00871	2.1
93.03448	0.5
96.95989	3.0
99.00872	0.9
101.02432	0.7
101.22451	0.3
111.00917	1.4
117.03480	0.3
119.05019	100.0
120.05354	5.0
120.99630	0.9
134.03743	0.8
135.04575	0.4
147.04530	0.4
160.01628	0.4
163.03996	76.0
164.04352	4.1
173.00883	0.5
175.03947	0.6
176.04691	0.4
191.07103	0.3
193.05090	0.6
212.73448	0.3
235.06076	0.7
256.99722	0.3
367.09894	0.6
368.09525	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	367.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26171	0.2
56.31758	0.2
59.01379	0.9
61.98820	0.4
71.01391	0.5
71.63078	0.2
75.00871	0.4
79.95730	5.1
85.02953	0.4
95.95232	1.4
96.96004	100.0
97.95914	0.3
119.05005	0.4
124.01650	2.3
125.02037	0.4
126.02162	0.2
129.01904	0.3
134.03702	0.9
139.03992	1.7
140.04396	0.2
141.04521	0.3
149.06140	0.4
150.97095	0.3
160.01637	1.2
165.04625	0.2
168.98070	0.4
175.03986	0.9
193.05075	0.7
194.77910	0.2
225.00674	1.8
233.08044	0.3
241.00206	0.9
243.98862	0.2
256.99713	3.0
272.03256	0.3
285.07645	1.5
287.08276	0.6
308.75745	0.2
367.10614	49.6
367.60828	0.3
368.10971	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	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57952	0.4
52.16313	0.4
52.19294	0.5
55.01876	4.0
57.03448	3.0
58.00593	1.6
59.01375	29.9
61.98819	0.9
69.03452	1.5
69.31083	4.6
71.01378	49.3
71.05039	0.7
72.99303	2.0
73.02941	26.1
73.06590	0.5
75.00870	1.5
83.01375	10.3
85.02946	25.3
86.00087	1.2
86.03286	0.7
87.00871	3.0
89.02444	11.3
95.01361	3.5
96.96008	1.0
97.02946	1.9
98.19878	0.8
99.00871	10.3
101.02437	53.5
102.02773	1.5
111.00887	1.3
113.02441	21.8
114.02763	0.7
115.03987	1.4
119.03549	0.9
119.05019	25.3
125.02454	3.1
129.01891	1.0
131.03481	2.7
143.03464	2.2
145.06113	0.5
149.04529	1.7
159.02974	4.9
161.04550	18.7
162.04977	0.8
163.04002	2.6
172.84874	0.5
188.07220	1.1
191.05612	0.7
194.78909	0.5
202.36339	0.5
205.34645	0.5
233.06671	2.0
235.11841	93.8
236.12163	6.0
245.53630	0.5
279.10648	0.8
325.39703	0.5
367.16040	100.0
368.16681	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	365.2691
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
54.40215	0.5
55.68367	0.4
59.01378	0.7
70.37154	1.4
84.39876	0.4
85.06582	2.6
111.29688	0.4
136.25684	0.4
151.72226	0.4
199.13356	3.3
257.52417	0.5
261.18588	1.3
279.19629	19.0
280.19995	1.6
347.25818	5.5
348.26544	0.7
365.26920	100.0
366.27274	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2691
Annotation	Officinoic acid B
Peak:m/z	Relative Intensity
55.01868	0.5
59.01370	0.8
68.56621	0.3
69.27402	0.4
69.27811	2.7
71.05016	0.5
71.17583	0.3
71.45428	0.3
78.96500	0.3
98.20649	0.6
119.48394	0.3
119.74086	0.3
153.12822	0.7
154.15950	0.3
155.14400	0.9
163.11237	1.0
165.12819	2.4
181.12318	1.4
199.13374	28.9
200.13673	2.2
209.11826	0.3
249.35878	0.4
278.37756	0.3
290.22409	0.3
339.09045	0.3
347.25894	4.0
348.26031	0.6
363.25333	0.5
365.26901	100.0
366.27240	14.5
366.31946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2646
Annotation	(5Z,8Z)-tetradecadienoylcarnitine
Peak:m/z	Relative Intensity
51.87914	0.7
57.03426	0.8
57.60946	0.6
59.01376	1.6
60.99302	2.7
61.98822	1.9
66.07485	0.6
69.47266	3.1
69.47704	2.5
69.76338	0.7
72.00913	3.4
72.04541	4.4
74.02469	100.0
75.02789	1.4
78.40967	0.7
83.05056	1.0
84.04559	2.3
97.06593	0.8
97.15826	0.8
104.03532	25.0
119.40488	0.7
129.20071	0.7
139.41438	0.8
205.19411	0.8
261.22189	4.6
262.22641	0.9
271.64340	0.7
279.23187	1.2
290.24789	3.7
292.26419	3.6
293.51270	0.7
304.26410	17.3
305.26788	1.5
318.24353	16.9
318.27869	1.1
319.24670	2.4
336.25421	41.7
337.25757	5.2
366.26443	85.2
367.26822	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32587	0.3
59.01369	1.3
61.98823	0.5
63.26606	0.3
64.30235	0.3
69.82484	1.8
71.01373	1.2
72.99278	0.5
79.95733	2.7
80.96513	2.1
83.01390	0.7
85.02953	0.8
87.00873	0.9
93.73078	0.3
94.08635	0.3
96.96003	100.0
97.95930	0.5
98.19920	0.4
101.02438	1.7
113.02429	1.3
119.05019	0.5
125.02448	0.4
133.83131	0.3
133.85448	0.3
138.97101	0.8
166.96555	0.6
181.33228	0.4
186.64717	0.3
196.69409	0.3
222.99141	0.6
241.00209	53.3
242.00636	2.1
367.03336	46.2
368.03790	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	367.1027
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
52.63133	0.9
57.03436	5.1
57.26639	0.9
59.01367	7.1
60.77191	1.0
61.98828	1.3
67.68675	0.8
68.99801	1.4
69.03466	5.4
71.01385	8.4
71.63023	1.5
72.99294	1.8
73.02939	1.2
79.95738	37.9
80.96516	4.1
82.57155	0.9
83.01387	3.8
85.02950	5.2
87.00876	12.9
89.66823	0.9
95.95234	9.6
96.96007	57.9
97.02946	4.9
99.00878	3.4
101.02429	2.3
105.03479	1.1
111.00874	8.7
117.03465	3.0
120.99640	2.8
123.04485	4.2
129.01933	9.2
130.08719	3.1
132.02185	11.3
133.02960	7.6
133.05054	2.4
134.03735	100.0
135.04056	5.3
137.02444	2.3
138.97038	1.9
141.01949	6.6
147.04495	3.1
148.05319	2.1
149.06070	23.5
150.06438	1.2
159.02974	5.8
160.01649	44.7
161.02092	2.9
173.16183	0.9
175.03996	46.1
176.04572	5.1
177.01892	1.2
178.02702	3.6
186.06857	1.5
191.05557	7.2
191.07170	5.6
193.05040	81.7
194.05298	5.9
201.09241	2.4
203.06941	1.1
204.07886	2.0
217.08656	6.5
220.03642	1.3
221.10110	1.2
225.00790	0.9
233.08160	9.2
235.06059	13.3
239.11209	5.5
241.00195	5.3
245.08139	1.4
247.06078	3.1
256.99719	4.6
261.07669	3.8
263.09229	1.5
265.07095	1.7
273.07733	1.5
275.05515	1.0
287.05328	1.3
335.07654	3.5
355.07013	1.5
367.10336	15.9
368.09607	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80896	0.2
59.01372	3.9
71.01382	0.6
71.62819	0.2
72.71970	0.2
73.02951	0.3
74.99112	0.5
79.95741	0.7
80.51070	0.2
85.02948	0.6
87.00874	2.5
89.02441	0.3
91.05502	0.3
93.03471	0.5
95.95229	0.3
96.95993	2.1
99.00887	0.6
101.02428	0.4
111.00871	1.6
113.02425	0.3
117.03486	0.4
119.05019	100.0
120.05356	5.4
120.99637	0.9
133.02998	0.3
134.03719	0.8
136.99110	0.2
145.02969	0.4
147.04536	0.6
149.06079	0.2
154.99806	0.3
160.01634	0.3
161.02391	0.2
163.03995	75.5
164.04338	4.7
169.82973	0.2
172.53662	0.2
173.00900	0.2
175.04018	0.6
176.04718	0.5
191.07117	0.4
193.05034	0.6
205.05128	0.4
235.06041	0.9
307.17700	0.3
367.10114	0.4
367.14673	0.4
368.09506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
50.34803	2.1
52.48665	2.5
59.01381	35.0
61.98818	5.2
71.01331	2.5
71.62299	2.6
72.85923	2.4
91.43082	2.3
96.52006	2.5
96.96000	11.1
103.25485	2.4
171.95676	2.6
200.94525	3.0
201.02527	7.0
261.22198	5.8
274.14005	2.5
291.19745	3.6
303.23273	47.1
304.23404	6.0
305.21140	46.3
306.21536	6.1
347.22351	4.3
365.18927	5.9
365.23251	100.0
366.23627	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	365.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99352	1.0
57.03444	10.5
66.29632	1.1
68.99821	2.6
69.03455	8.0
70.47381	4.2
71.01381	8.7
72.99297	7.2
83.01360	3.1
83.05041	10.6
85.02942	22.7
87.00868	10.5
87.04517	2.7
97.02941	19.8
99.00883	7.3
109.06586	2.8
111.00851	2.1
111.08151	94.7
112.08473	4.1
113.02459	2.5
115.04012	4.9
129.01933	15.0
129.09209	2.8
133.94896	1.2
141.01939	12.5
159.03018	2.6
173.08168	91.5
174.08537	3.7
191.05653	11.2
192.05856	1.7
209.06587	2.8
225.19359	1.1
347.13019	1.5
365.14465	100.0
366.14832	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	365.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64847	0.6
55.01866	0.8
57.03432	2.6
59.01373	28.3
60.01719	0.9
67.01862	0.6
68.99805	0.7
69.03452	0.9
69.25766	5.3
71.01376	17.2
72.99303	4.3
73.02929	3.2
75.00865	16.5
75.01286	0.9
75.08961	0.6
78.44162	0.7
83.01367	1.1
85.02942	19.0
86.03272	0.6
87.00871	4.7
89.02431	4.5
95.01370	5.0
96.95984	3.5
97.02933	0.9
98.20660	1.3
99.00877	9.0
101.02452	1.7
103.00357	1.6
109.02943	1.2
111.00867	1.1
111.08147	1.1
113.02441	22.7
114.02723	0.7
115.00365	1.6
115.07639	100.0
116.07977	3.9
117.01924	3.2
129.01920	1.6
137.12810	0.6
145.07715	2.4
157.01401	0.6
159.05551	0.7
159.09314	1.0
160.06409	8.3
161.07190	17.9
173.08257	1.0
173.10765	0.9
175.02449	3.0
175.08745	10.0
176.09114	1.2
177.15125	0.6
185.10768	0.7
187.08736	2.3
189.06683	19.1
190.07016	1.4
201.10315	3.7
203.08257	7.8
203.11844	4.9
204.08473	0.8
205.07155	1.0
207.16035	0.6
215.30524	0.6
222.08553	0.6
223.08203	0.8
229.09810	8.6
231.05072	2.5
249.06116	17.9
250.06488	1.1
263.42145	0.6
267.07172	2.7
277.11874	1.9
305.11383	32.1
306.11749	2.7
323.12390	1.1
326.70969	0.6
347.13461	3.4
365.14453	75.3
366.14697	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	365.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
58.00576	2.0
59.01374	42.3
60.01706	0.7
61.98822	6.1
69.45596	1.3
69.45979	4.7
71.00988	1.2
71.01374	20.3
72.99290	4.8
73.02951	1.7
79.95736	1.3
83.01392	1.5
85.02946	5.8
87.00893	1.3
89.02435	20.6
95.01359	1.9
96.96004	8.7
97.02917	1.1
98.95585	5.6
98.96245	0.8
99.00842	1.1
101.02428	14.4
104.68574	0.7
108.02116	0.9
109.02929	3.7
111.08105	1.4
111.97910	0.6
113.02432	7.9
115.07619	1.5
119.03498	6.5
123.04482	0.7
125.02406	1.0
129.01913	0.9
134.03735	1.3
134.49225	0.7
139.11284	3.3
141.01836	0.8
141.12769	0.7
142.98758	0.6
143.03458	0.8
147.04596	0.6
152.01134	0.9
153.01888	1.7
157.12270	1.2
159.04474	2.6
160.01665	0.9
161.02336	0.8
161.04507	0.7
161.07230	0.7
164.07166	1.4
165.07436	1.0
167.10750	6.8
173.08208	0.7
175.03944	1.4
185.11795	22.6
186.12204	2.4
193.05061	1.6
197.84306	0.6
203.03500	1.3
203.12849	2.3
211.67915	0.6
223.59418	0.6
258.20859	0.6
285.04059	0.8
303.05368	0.8
305.11542	0.9
365.08066	8.4
365.18118	100.0
366.06165	2.4
366.18417	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	365.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03447	2.0
58.00574	0.6
59.01376	15.4
62.58016	0.4
69.03432	0.6
69.64615	2.2
71.01374	12.1
72.99306	1.1
73.02946	2.1
83.01379	2.5
83.05020	1.3
85.02943	5.7
86.00083	0.7
87.00877	2.0
89.02441	6.5
95.01368	0.8
97.02946	1.2
99.00874	1.7
101.02439	8.8
109.06579	0.5
111.00903	0.5
111.08152	6.7
113.02436	4.3
115.04043	0.4
119.02777	0.4
119.03463	2.7
127.11281	2.1
129.01924	1.6
131.03481	0.4
139.11308	0.5
141.01942	0.9
151.08751	0.4
151.09967	0.4
151.69688	0.4
155.10768	1.4
157.12328	8.2
158.12663	0.6
171.13922	0.6
173.08167	6.7
179.05620	0.4
185.11789	1.7
187.13409	0.8
191.05618	0.9
199.13312	0.8
203.12857	20.5
204.13213	1.9
245.14001	0.4
261.78192	0.4
297.09250	0.4
347.17249	0.7
365.14606	6.0
365.18149	100.0
366.18463	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03439	1.0
58.00580	1.4
58.19662	0.5
59.01375	40.1
60.01701	0.7
61.98832	5.2
66.97776	0.5
69.03445	1.0
71.01376	20.7
71.62918	0.4
71.63317	0.6
72.01699	0.7
72.99301	5.0
73.02942	1.2
75.00829	0.9
79.95711	0.6
83.01384	2.0
85.02957	5.9
87.00871	1.3
89.02435	19.8
95.01389	2.1
96.95998	8.9
98.95586	5.2
98.96238	0.6
99.00893	1.4
101.02434	14.4
108.02165	1.1
109.02947	2.6
111.08134	1.8
113.02446	7.3
115.07655	0.8
119.03483	6.4
125.02426	1.0
128.75012	0.6
129.01917	0.6
129.10332	0.5
131.03514	0.8
131.07126	0.5
132.02174	0.5
134.03722	1.1
139.11279	4.4
139.52412	0.4
141.11900	0.5
141.12842	0.7
143.03418	0.6
152.01135	0.7
153.01918	2.1
153.62163	0.5
157.12352	0.6
159.04509	1.2
160.01649	1.0
161.02364	0.9
164.07076	1.1
165.07446	0.7
167.03540	0.6
167.10756	6.8
173.08157	1.6
175.03946	1.3
185.11810	22.8
186.12277	2.1
187.12714	0.9
189.06714	0.9
193.04974	1.0
203.03432	1.2
203.12851	2.2
209.06557	0.5
234.16916	0.6
241.00214	1.0
269.08578	0.7
291.18942	0.6
301.61960	0.5
303.04929	0.8
305.11313	1.2
326.08221	1.3
329.58423	0.5
365.08286	6.5
365.18134	100.0
366.05945	2.8
366.18439	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	365.033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80657	0.4
59.01358	1.0
65.00307	0.7
71.58612	0.6
72.99291	0.9
75.00871	0.7
82.00591	0.5
92.25275	0.3
92.82732	0.4
96.95988	1.0
96.99299	0.5
104.32052	0.3
110.00090	24.0
111.00359	0.4
116.98299	3.7
123.00822	1.2
124.98781	0.6
129.04915	0.4
134.96649	0.4
136.98799	0.9
137.99588	10.8
141.99022	1.4
151.00278	0.5
163.03966	0.7
165.99063	28.1
166.99361	1.5
176.29607	0.4
178.06232	0.4
178.99838	2.7
213.05560	1.0
214.06258	0.8
232.75923	0.4
241.04993	0.4
242.05759	1.7
246.05283	1.2
270.05301	53.4
271.05688	5.5
285.07654	100.0
286.08008	10.9
315.18912	1.3
315.69281	0.5
365.03302	7.4
365.15179	0.7
366.03610	0.7
366.19638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07965	0.6
58.46658	0.6
59.01384	3.2
60.20881	0.7
62.08228	0.6
71.01385	0.9
71.28678	1.6
72.99294	2.8
75.00868	12.6
80.69151	0.6
80.99828	0.7
85.02918	1.0
96.96010	1.8
108.65307	0.7
110.00079	2.2
113.02439	0.8
118.57529	0.6
121.02975	1.6
123.00887	0.7
124.01640	1.8
128.36832	0.6
134.76695	0.6
137.02301	0.7
137.99580	4.6
139.04015	1.6
151.00314	0.9
152.01157	0.8
165.99065	5.7
169.06499	1.0
197.06046	1.1
211.07663	1.1
213.05623	0.7
214.06216	1.6
225.05542	2.1
226.06297	10.8
227.06662	1.0
228.04314	2.0
229.08568	0.6
241.05023	0.8
241.08611	0.8
242.05879	3.1
243.06517	2.2
253.05063	10.2
254.05656	1.3
255.06625	2.1
257.50513	0.7
269.04459	2.2
270.05304	43.8
271.05673	3.7
285.07666	100.0
286.07996	10.4
337.18347	2.1
365.03329	17.2
366.03625	2.4
366.18661	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84612	0.3
59.01376	3.3
61.98836	0.6
71.00985	0.8
71.01382	1.2
73.02934	0.5
79.95736	3.1
80.96524	1.8
81.58564	0.3
85.02948	1.0
85.54089	0.3
87.00880	1.0
87.46723	0.3
89.02439	1.2
89.65867	0.4
92.74647	0.3
96.96004	100.0
97.02973	0.4
97.95919	0.4
99.00840	0.4
101.02438	1.2
113.02416	0.9
118.04241	0.3
121.02942	0.7
123.04519	1.1
129.05461	0.4
133.02948	0.7
135.04509	1.2
138.97099	0.9
141.09189	0.9
143.80350	0.3
147.04475	0.5
165.05562	1.8
166.05881	0.5
166.96548	1.0
173.08138	0.5
177.01884	0.5
185.08130	0.8
190.99077	0.3
241.00212	28.0
242.00468	1.2
259.01236	1.4
285.09766	0.7
335.04257	0.5
365.05420	70.3
365.14011	2.1
366.05762	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	363.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	33.1
61.98827	7.1
63.40764	3.8
71.53539	6.1
71.53886	5.6
73.02926	4.0
80.33755	3.8
83.05035	4.7
93.11099	3.9
95.05018	4.9
96.96011	8.7
101.02413	4.4
129.09177	6.8
155.10742	14.1
163.11319	4.7
171.10150	20.6
185.11821	12.4
196.05209	10.4
197.11781	15.4
209.11823	86.9
218.97270	4.7
227.12834	19.2
268.03671	8.8
283.06039	10.5
289.18195	4.4
291.19601	17.9
309.20673	37.0
311.37820	4.8
327.21677	100.0
328.22107	14.2
363.25549	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2173
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.45322	0.6
52.17347	0.6
53.15528	0.6
57.03444	1.4
59.01370	6.5
61.98815	2.1
70.87811	0.7
71.01383	1.4
71.05005	0.7
73.02944	1.8
81.03446	0.8
83.05012	2.5
85.02933	3.9
95.05022	1.0
96.96009	1.8
97.02979	0.9
97.06602	1.1
99.04510	2.1
107.05030	1.7
109.02975	0.9
109.06586	2.4
111.04482	1.1
112.53046	0.7
121.02901	1.0
123.04512	3.2
125.02443	1.5
125.06051	0.9
127.03992	0.9
127.33735	0.7
135.04544	1.3
137.06050	3.1
140.04747	1.0
149.09703	3.2
151.03983	3.9
151.07671	3.6
153.05554	1.0
169.05067	6.1
170.43765	0.7
172.03745	8.7
175.07648	2.4
178.06332	5.2
193.08719	2.9
195.06606	1.4
206.16072	0.7
211.09715	0.9
213.07661	0.8
327.21805	2.7
363.21744	100.0
364.22040	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90867	8.5
59.01375	41.4
61.98851	9.7
69.58277	62.6
73.29837	9.0
75.78368	10.4
80.96447	7.6
86.92101	9.5
87.95393	8.9
96.95960	9.3
97.46214	7.3
98.19931	11.2
101.73482	10.3
105.94064	8.6
108.13071	8.6
118.50797	7.8
159.94890	9.4
363.25229	100.0
363.29086	13.6
364.25470	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	363.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45045	3.6
57.26313	3.5
57.42210	3.4
59.01375	11.7
61.98827	100.0
64.31737	3.6
69.30454	34.0
71.01375	3.7
73.51706	3.6
96.96056	3.8
136.29292	3.5
167.18204	3.7
174.23210	3.5
201.80853	3.5
265.21564	6.0
363.19897	5.6
363.25110	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	363.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30427	1.4
50.38503	1.4
53.19190	1.7
53.40498	1.3
54.57414	1.4
59.01143	1.5
59.01381	19.0
70.07820	1.3
71.62897	2.6
73.29099	1.5
96.96025	1.8
98.57757	1.4
102.61706	1.6
121.17004	1.5
150.38052	1.3
185.47182	1.6
240.35966	1.5
281.24826	100.0
282.22409	2.0
282.25052	9.6
363.25186	30.1
363.29340	2.8
364.25558	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	364.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36599	0.5
59.01376	100.0
60.01699	1.7
70.30895	1.1
70.31288	1.3
71.01391	1.5
73.02950	1.0
79.95740	1.1
82.03040	0.5
83.01386	0.5
85.02952	1.0
94.43634	0.5
96.95994	5.8
98.95609	0.7
99.08150	0.5
101.02441	1.0
107.15802	0.5
111.08167	1.3
113.02425	0.8
173.08191	0.8
182.98860	0.5
202.02708	3.0
215.54807	0.5
221.34129	0.5
294.33279	0.5
364.07867	6.1
365.03183	2.6
365.08826	2.5
365.14072	1.1
365.18359	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.3
60.99287	3.2
61.98812	2.1
69.40217	1.0
71.62405	1.2
72.00909	4.0
72.04530	4.2
74.02467	100.0
75.02753	1.2
83.05018	1.2
84.04534	3.5
95.11493	1.1
96.96066	1.0
104.03532	27.6
121.58759	1.0
199.13516	1.2
201.02567	2.1
216.04254	1.3
259.20581	2.6
279.19638	2.4
280.20047	6.9
288.23361	1.2
290.24887	3.8
302.24838	12.4
303.25104	2.1
316.22806	15.1
317.23044	2.1
334.23834	51.3
335.24258	5.8
347.26004	1.4
364.24939	84.8
365.25134	12.2
374.21823	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2853
Annotation	Melophlin P
Peak:m/z	Relative Intensity
51.00761	0.5
51.39015	0.5
58.02981	3.2
59.01369	3.1
84.04535	9.3
85.02954	0.6
100.07681	7.5
102.05596	72.0
103.05931	1.7
103.77642	0.6
118.96929	0.5
261.22150	1.0
278.24911	1.4
283.26370	0.9
318.27905	1.9
320.29507	2.1
346.27402	2.4
364.28522	100.0
365.28976	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01366	1.3
65.00320	0.8
69.03458	0.3
70.02379	0.3
70.55733	0.3
71.01410	0.3
71.07757	0.5
71.08070	0.3
77.75606	0.3
85.02950	0.6
94.00630	0.9
95.01400	0.4
96.02162	0.4
96.96008	0.7
97.02922	0.3
110.00099	1.2
111.00867	0.6
111.08143	1.0
122.00060	1.5
123.00871	8.4
124.01657	7.6
125.02009	0.5
127.07614	0.4
128.01170	0.4
129.01956	0.6
133.95692	0.3
134.03702	0.4
135.50365	0.3
138.03221	0.3
142.37685	0.3
149.99568	7.8
151.00362	8.9
152.01140	4.1
160.01656	0.7
164.01175	0.5
165.01817	1.0
173.08171	1.1
175.03957	0.7
178.99843	8.1
180.00220	0.5
181.37926	0.4
182.06947	0.3
188.52954	0.3
191.05646	0.4
193.04893	0.5
198.06816	0.3
201.05589	0.8
213.05527	0.7
214.06328	0.4
224.04723	3.2
225.05373	0.4
239.07089	1.1
242.05861	1.1
252.04210	2.5
257.08249	0.5
267.06622	2.8
270.05301	24.1
271.05707	2.0
285.07654	100.0
286.07993	11.0
365.03262	6.3
365.14505	1.2
366.03586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43651	0.6
55.01862	0.8
57.03432	2.2
57.74162	0.6
59.01087	1.0
59.01371	12.6
59.82074	0.5
61.98817	2.9
67.01877	1.9
69.03437	1.8
69.64645	3.5
71.01374	8.0
72.99303	2.0
73.02940	1.9
83.01373	1.5
85.02943	12.8
87.00877	2.7
89.02444	1.6
96.96022	3.3
97.02926	2.0
99.00869	2.0
101.02447	3.6
109.06591	5.3
111.00837	1.3
113.02435	1.2
115.03988	1.0
119.03527	1.1
120.99667	1.1
127.07639	100.0
128.07959	4.1
129.01927	5.4
141.01935	2.1
142.10648	0.7
146.08177	0.9
159.02966	2.3
161.04538	0.8
171.06612	51.9
172.06969	2.5
183.10353	0.7
191.05583	11.1
191.07155	1.2
201.11311	0.6
209.06633	17.2
241.00296	0.9
363.03586	1.3
363.12885	20.5
363.16696	12.7
364.12585	0.9
364.16406	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	363.1294
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01881	1.3
57.03450	6.9
59.01373	9.2
67.96023	1.2
68.99821	2.5
69.03459	6.9
70.93682	3.6
71.01369	11.4
72.99307	9.3
73.02950	2.4
83.01386	4.3
84.58214	1.3
85.02944	28.1
87.00862	10.3
87.04517	4.0
88.41072	1.4
89.02418	1.4
95.01418	1.4
96.96027	7.9
97.02937	14.7
99.00861	7.1
109.06571	11.1
111.00864	4.3
113.02436	2.3
115.04016	3.7
122.50023	1.2
125.52913	1.2
127.07645	100.0
128.07991	4.3
129.01933	16.7
133.72981	1.5
141.01938	10.6
143.54425	1.2
153.05533	1.4
159.02998	3.7
171.06612	37.5
172.06844	1.5
173.37697	1.3
191.05618	13.5
195.06865	1.2
201.11279	1.7
209.06621	12.7
345.11780	2.6
363.07642	10.9
363.12881	90.6
363.17529	30.7
364.13232	8.2
364.18341	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	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05701	0.2
59.01374	100.0
60.01711	1.1
69.41882	1.3
71.01373	1.7
73.02946	1.0
77.38301	0.2
79.95732	0.2
85.02970	0.7
85.81264	0.2
89.02448	0.9
96.96007	0.6
101.02430	1.4
109.02954	0.6
113.02427	0.9
115.34046	0.2
119.03540	0.3
122.34725	0.2
144.72717	0.2
153.01938	0.6
161.04691	0.2
171.10217	0.2
193.05447	0.2
210.03201	0.2
232.32822	0.2
304.11960	0.5
322.13104	0.7
363.17090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49334	0.4
55.01873	1.5
57.03446	3.2
58.00591	0.9
59.01374	15.1
63.76045	0.5
67.01909	0.6
68.99818	0.8
69.03461	2.4
69.89025	2.8
71.00990	0.9
71.01379	14.1
72.99306	16.5
73.02936	4.9
75.00854	0.6
79.95721	3.2
80.96512	1.8
83.01381	3.7
84.32510	0.4
85.02947	10.8
86.00096	0.9
87.00872	2.3
87.04499	0.5
89.02460	2.5
95.01375	1.0
95.95248	1.6
96.96004	80.0
97.02953	3.8
99.00840	3.0
101.02446	11.0
109.06592	2.1
111.00843	1.6
113.02439	4.9
115.04015	1.0
116.68581	0.5
119.03453	1.1
119.88557	0.5
122.97542	1.0
127.07642	19.7
128.07976	1.1
129.01944	5.1
131.51245	0.5
138.97086	1.5
141.01926	2.5
150.03198	0.5
150.97044	1.8
151.40355	0.6
153.05516	0.6
155.10753	0.8
159.03015	1.2
164.98573	0.6
166.35760	0.5
171.06616	7.3
180.98088	1.6
183.10242	1.9
191.05611	2.4
194.87904	0.5
201.11324	3.0
209.06606	5.4
241.00174	3.8
328.22446	0.7
345.15787	1.7
363.07513	87.0
363.12643	13.1
363.16644	100.0
364.07919	8.4
364.12915	1.1
364.16931	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	363.0177
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
52.90226	0.3
56.39990	0.3
59.01372	1.0
71.22820	0.7
79.95734	0.4
94.34019	0.3
96.95972	0.8
101.02454	0.4
102.88974	0.3
104.62248	0.3
111.10621	0.3
113.02395	0.5
127.64289	0.3
172.05254	0.7
195.04538	1.3
196.05273	36.9
197.05603	3.0
198.03165	0.7
211.04070	0.6
212.04720	1.0
223.03915	0.5
224.04730	2.7
224.41396	0.3
240.04248	8.8
241.04567	1.0
250.72517	0.4
267.02942	0.4
268.03726	38.6
269.04083	3.3
283.06085	100.0
284.06427	11.7
284.09592	0.6
299.01001	0.5
363.01718	5.8
363.12228	0.4
364.02261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01376	5.0
61.98843	0.5
70.76787	0.9
70.77161	0.9
71.01363	2.4
72.99310	0.5
73.02937	1.3
73.04061	0.6
79.95734	2.8
80.96519	1.0
85.02946	1.6
87.00918	0.5
89.02419	0.9
94.09339	0.4
95.95246	1.2
96.96004	88.0
99.00865	0.4
100.62121	0.4
101.02434	2.2
111.44490	0.4
113.02448	0.9
120.99633	2.4
127.07623	0.6
130.08760	1.6
161.35219	0.5
171.10214	0.6
190.40938	0.5
241.00218	1.8
363.07507	100.0
363.23514	1.1
364.07770	10.5
364.11697	0.5
364.18451	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	363.0751
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
52.08542	0.5
55.01873	1.0
57.01295	0.4
57.03437	1.2
57.81965	0.6
59.01374	8.5
61.98814	0.8
69.24720	1.8
69.25138	4.0
71.01373	8.8
72.99301	9.6
73.02949	1.9
77.44727	0.6
79.95731	3.9
80.96510	2.1
83.01373	2.6
85.02939	6.4
85.41205	0.5
87.00856	1.5
89.02431	1.1
95.01347	1.3
95.95229	2.4
96.96001	83.4
97.02964	1.2
99.00870	1.8
101.02443	7.4
113.02447	3.4
114.75703	0.6
115.04034	0.6
119.03520	1.1
122.97589	1.5
127.07635	5.4
129.01917	1.2
130.08662	0.5
138.97067	2.2
141.01956	0.6
142.84006	0.5
150.03264	0.7
150.97054	2.2
165.05515	0.8
171.06625	2.2
175.44078	0.5
177.87888	0.6
180.98087	0.8
183.10297	1.0
201.11411	1.0
209.06664	1.6
241.00230	3.4
318.77603	0.6
345.15533	0.8
350.59515	0.7
363.07520	100.0
363.12024	3.3
363.16757	61.3
364.07819	11.4
364.17020	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	363.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77877	0.3
55.19054	0.3
57.03434	0.5
59.01091	0.5
59.01379	8.5
61.98811	0.5
65.22353	0.4
69.63454	1.5
69.63867	0.7
71.01375	3.9
71.48265	0.3
72.74884	0.3
72.99306	0.5
73.02940	1.7
79.95736	3.4
80.96503	2.2
82.02974	0.5
83.01370	1.1
85.02927	2.0
87.00861	0.5
89.02442	0.8
95.01353	0.5
95.95225	1.2
96.96004	90.8
99.00877	0.7
101.02444	2.8
113.02432	1.5
120.99615	0.4
122.97564	1.6
127.11333	0.4
129.14374	0.3
136.04027	0.6
138.97023	1.4
144.34279	0.4
145.64978	0.3
150.96022	0.4
150.97002	2.1
157.12299	1.2
164.03477	0.8
164.98628	0.6
171.06566	0.4
180.98094	1.5
196.06046	0.4
217.10773	0.5
217.60646	0.3
241.00212	4.9
252.02415	0.4
287.10336	2.3
291.32474	0.3
303.14178	0.5
313.34991	0.3
321.15445	1.3
331.09283	0.9
334.83228	0.3
363.07510	100.0
363.16476	2.7
364.07843	10.3
364.16226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0753
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
50.56152	0.3
57.03445	0.4
59.01377	5.2
61.98833	0.3
67.76859	0.3
69.50441	0.8
69.50871	1.5
71.01375	1.9
72.99287	0.4
73.16515	0.3
79.95719	2.0
80.96507	1.1
82.76339	0.3
83.01397	0.3
85.02950	0.9
87.00890	0.4
89.02441	1.1
96.96001	87.1
98.20621	0.3
101.02433	1.3
113.02456	0.7
164.07133	0.6
171.10278	1.2
173.15771	0.3
183.67361	0.3
186.03932	0.3
186.12466	0.7
190.83382	0.3
191.05612	0.3
193.30518	0.3
224.98615	0.3
241.00232	1.4
363.07498	100.0
364.07819	10.9
364.12231	0.7
364.18677	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1292
Annotation	Pyridaben
Peak:m/z	Relative Intensity
52.31342	0.9
55.01871	1.3
57.03443	7.4
59.01374	13.8
62.68365	0.9
67.01894	1.0
67.33171	1.0
68.99817	2.9
69.03454	4.0
71.01369	12.0
71.61747	1.1
72.99305	4.7
73.02934	1.9
74.02467	1.4
83.01388	3.1
85.02946	23.4
87.00874	3.8
87.04476	2.9
89.02431	2.0
96.96013	4.9
97.02949	8.6
99.00877	6.6
101.02425	3.6
109.06585	2.7
111.00879	3.6
113.02441	4.0
115.04002	4.1
119.05022	2.7
120.99641	2.9
127.07635	26.7
129.01932	23.7
135.17271	0.9
139.07654	1.0
141.01926	2.9
153.05591	1.5
159.02980	3.6
161.04459	1.2
163.03995	2.9
171.06612	100.0
172.06888	5.5
183.06534	1.3
191.05592	27.6
191.07318	1.4
197.92249	1.1
209.06673	14.0
363.12930	46.0
363.17346	8.0
364.13763	4.9
364.17908	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	362.0505
Annotation	Guanosine-5'-monophosphate disodium salt hydrate from Yeast
Peak:m/z	Relative Intensity
50.95143	0.3
51.10964	0.4
59.01372	0.6
61.98815	0.9
62.96400	0.9
64.04628	0.4
66.00954	0.7
69.28209	0.5
70.07687	0.6
70.08089	1.1
74.99129	0.5
77.87464	0.3
78.69768	0.3
78.95898	100.0
81.00883	0.3
83.02539	0.4
89.55104	0.4
96.96008	0.8
96.96952	13.0
98.20496	0.6
101.02402	0.6
107.03625	1.4
108.02060	1.3
109.02967	0.6
120.96962	5.4
123.04545	0.4
126.03055	0.6
130.08755	1.0
133.01564	13.4
135.04532	0.6
141.01910	0.4
150.04205	18.6
164.07129	0.8
209.27792	0.5
211.00107	77.2
212.00441	2.2
214.02362	1.1
231.04988	0.7
303.10626	0.7
331.27731	0.4
335.88690	0.4
345.82199	0.5
362.05029	20.5
363.05103	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09623	0.6
59.01379	7.0
61.98825	100.0
62.14179	0.7
70.52326	1.9
71.01389	2.8
73.02937	0.8
74.02487	2.6
74.49995	0.6
74.99094	1.7
78.95897	0.8
79.95769	0.6
85.02981	1.6
87.00867	1.0
87.81113	0.6
89.02448	2.1
93.03451	12.9
96.96008	11.6
101.02450	2.1
113.02456	1.4
119.03552	0.8
119.05034	1.0
120.99664	1.5
127.07621	3.3
128.03560	0.7
129.01945	1.1
136.99127	1.0
137.02435	36.8
138.02808	1.6
139.07620	0.7
160.07703	0.9
161.04602	0.7
163.03995	1.4
165.05447	0.6
171.06604	7.9
177.01912	1.0
179.10829	1.0
183.06622	1.4
191.05608	1.2
201.05817	1.0
209.06703	1.9
215.07474	0.6
232.68225	0.6
275.09473	0.7
297.46484	0.6
299.07678	6.1
318.11359	1.1
318.14926	2.3
327.10278	1.6
362.14133	1.0
362.18253	0.8
363.11346	3.3
363.16812	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	363.0177
Annotation	(-)-Maackiain 3-sulfate
Peak:m/z	Relative Intensity
59.01362	1.7
92.79485	0.6
93.03418	0.6
108.02151	4.3
109.02948	3.1
117.03426	0.9
119.05020	11.9
137.02438	10.4
138.02711	0.9
177.01836	0.7
184.05243	1.9
195.04460	1.2
211.03928	4.6
212.04735	7.9
221.61316	0.6
223.03931	2.0
239.03491	1.6
240.04234	12.3
241.04599	1.1
268.03720	57.6
269.04089	5.1
283.06076	100.0
284.06427	10.0
355.71317	0.7
363.01773	17.6
364.01993	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	361.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.8
61.98819	0.3
71.62914	0.4
91.25462	0.2
105.40443	0.2
111.54214	0.3
136.01357	0.3
139.10013	0.3
151.60912	0.2
180.62117	0.2
261.22211	0.5
279.23264	100.0
280.23599	12.0
349.53452	0.3
361.15341	1.2
361.23572	22.5
362.23935	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.2
69.90149	2.5
70.62555	0.4
71.01370	0.6
97.25981	0.4
98.20562	0.5
120.86075	0.4
135.19824	0.4
150.06628	0.4
157.03836	0.5
203.29124	0.5
261.22116	1.4
279.23264	100.0
280.23624	11.7
287.32184	0.5
325.69901	0.5
361.23584	21.9
362.23935	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	361.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01717	1.3
61.98827	2.5
69.17801	1.1
71.62575	1.1
71.63013	1.4
97.35201	0.9
134.89130	1.1
188.99535	1.1
189.01973	1.2
232.29182	1.0
233.22426	1.1
296.34592	1.1
360.56454	1.2
361.27353	9.6
362.27643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2744
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.07900	0.2
59.01371	2.7
61.98841	0.2
65.00317	0.6
70.17512	0.5
79.05524	1.0
81.03452	41.4
82.03780	1.2
83.01369	0.3
83.74601	0.3
93.03461	0.4
95.01411	0.2
98.19872	0.3
109.02950	0.5
116.92853	0.2
121.06606	0.3
122.03731	0.6
123.04517	100.0
124.04841	3.6
137.02480	0.2
141.29262	0.2
162.08310	0.2
171.54247	0.2
210.42245	0.3
230.59149	0.3
268.04526	0.2
279.23257	15.3
280.23526	1.7
317.28464	0.3
319.26324	0.5
361.23703	3.6
361.27448	76.1
362.27774	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	361.1502
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
51.36121	1.0
54.79727	0.8
55.01864	2.0
55.71568	0.8
56.74311	1.1
57.81112	0.9
58.00570	1.3
59.01375	70.9
66.46872	1.0
69.03432	2.7
70.76665	3.0
71.01375	35.1
72.99273	3.0
73.02943	38.6
83.01388	10.5
85.02943	7.6
86.91697	1.0
87.00830	2.7
89.02007	0.9
89.02449	11.8
95.01357	2.3
96.95964	4.4
97.02925	1.7
99.00854	2.0
101.02435	32.0
111.00845	1.2
113.02454	9.9
115.03933	1.1
119.03503	4.7
125.02362	1.0
129.01895	1.7
131.03462	1.8
135.04437	1.0
139.06621	1.2
139.07635	22.3
143.03458	1.8
157.08603	3.7
161.04498	3.3
169.08589	3.0
170.08958	1.3
173.05975	4.1
179.46634	1.1
189.04269	2.0
203.04520	2.9
215.08115	1.2
227.08054	2.8
245.09340	6.0
255.11267	1.7
256.05020	1.3
271.17059	1.2
273.18408	2.0
299.10217	2.8
301.04541	1.0
301.12857	10.6
315.09738	1.5
317.17120	2.6
319.13959	23.4
320.14145	3.1
343.09360	4.9
343.15210	3.0
361.09909	3.3
361.15088	100.0
361.59305	1.1
362.15414	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	361.1654
Annotation	Thyrotropin releasing hormone
Peak:m/z	Relative Intensity
59.01375	4.6
69.03455	1.1
69.29528	0.6
70.04807	1.0
70.05228	2.2
71.01364	1.1
73.02946	1.7
85.02924	1.6
85.41594	0.6
96.96003	1.6
97.02979	0.9
101.02431	1.4
108.02257	0.6
136.19693	0.7
139.07690	1.0
147.08185	0.9
159.02980	0.7
169.08727	1.2
173.06052	6.9
176.43214	0.7
201.86078	0.7
227.14413	0.7
233.15425	0.8
245.09283	1.3
253.16026	1.4
255.17494	1.4
271.17068	2.1
273.18530	6.5
273.21228	0.8
317.17554	4.7
319.13797	1.0
343.15506	9.2
344.15945	1.8
361.16547	100.0
362.16907	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	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03436	1.3
58.00595	1.4
59.01376	55.5
65.52632	0.9
69.03436	2.6
69.45134	3.2
69.45556	4.9
71.00993	1.5
71.01378	31.0
72.99313	1.9
73.02945	32.6
74.55613	0.9
77.51169	1.0
83.01390	8.0
85.02951	5.6
87.00859	3.2
87.04509	1.0
89.02435	7.4
90.89648	1.0
95.01394	1.0
96.95998	5.1
97.02940	1.0
99.00845	2.0
101.02435	22.9
113.02448	8.3
115.31916	1.0
119.03472	2.8
129.01915	1.7
139.07634	19.7
140.07907	1.1
143.03514	1.5
147.08110	1.4
157.08624	2.8
160.03963	1.1
161.04549	3.2
163.07597	1.0
169.08708	5.3
173.06064	6.2
189.04333	1.1
203.04535	2.2
216.40349	1.0
217.09760	1.2
227.08165	3.4
227.14247	1.2
236.92728	1.0
239.08226	1.6
243.07578	1.2
245.09300	6.4
255.11263	1.6
271.07224	1.3
271.16937	1.3
273.18564	4.5
299.10245	3.5
301.12939	8.9
317.10944	1.1
317.17450	2.5
319.13959	21.5
320.14081	1.4
343.09265	7.3
343.15659	5.1
361.15573	100.0
362.16049	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45124	1.6
52.06111	1.7
59.01376	46.8
60.97537	1.5
61.98822	21.9
71.01374	15.3
71.61687	2.7
72.97529	12.3
73.02958	4.6
74.02489	2.3
74.99100	7.2
78.95894	25.2
79.95734	2.6
80.61671	1.6
83.36866	1.6
84.68967	1.7
85.02953	6.1
87.00847	2.3
89.02426	4.8
95.01394	6.8
96.96011	32.6
96.96965	6.6
99.00880	2.5
101.02447	10.6
107.03695	1.6
113.02438	9.1
121.02970	4.8
123.00881	100.0
123.04530	3.6
124.01704	12.3
128.03519	2.7
134.04730	30.7
134.97583	2.8
135.05232	16.3
136.01700	2.0
136.99121	5.5
137.02441	5.3
138.03220	89.9
139.00414	2.4
139.04031	28.0
144.96806	1.9
149.02429	9.5
150.04204	2.9
151.03996	2.5
159.02954	2.8
161.04541	25.1
163.02777	2.1
163.04018	3.4
164.04845	2.1
166.02802	2.0
179.05710	2.0
180.06645	2.1
181.05028	8.6
182.99409	4.1
186.38316	1.7
192.56758	1.6
193.05023	3.8
202.36832	1.8
211.00102	13.0
226.01743	1.8
241.00191	2.8
301.09216	42.3
302.09393	3.7
331.16190	2.2
361.07999	48.6
361.12982	3.0
361.17819	3.5
362.04523	3.4
362.08661	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	361.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09208	0.4
52.53747	0.4
57.03474	0.4
58.06292	0.4
59.01376	5.2
61.98836	0.5
67.01839	0.6
71.01384	5.2
71.63194	0.5
72.83628	0.4
73.02950	1.0
79.95732	0.4
83.01397	0.7
85.02941	2.2
87.00882	0.6
89.02466	2.0
90.09278	0.4
92.05046	0.5
93.03501	0.5
95.01385	0.8
96.96023	1.6
99.00915	0.6
101.02440	2.2
104.85603	0.4
108.02162	0.4
109.02936	2.0
113.02446	2.5
119.03538	0.8
120.04541	3.1
120.99715	0.4
121.02968	3.0
129.01874	0.4
134.03725	1.0
134.82359	0.4
135.04521	0.5
136.04022	0.9
137.02408	0.5
138.55791	0.4
139.07654	1.6
146.03720	0.9
149.02458	0.7
160.01640	1.5
161.02451	0.7
161.04604	0.6
162.03308	0.5
164.03528	31.9
165.02429	0.3
165.03851	2.1
175.04004	2.6
176.04770	0.6
183.04495	0.5
185.06033	1.4
191.03568	0.4
193.05119	0.8
196.06209	2.1
199.07692	1.1
209.06110	2.5
211.03972	3.1
211.07616	0.8
212.04762	6.0
213.05479	1.5
219.04555	0.5
221.06114	0.8
224.04752	0.7
225.05524	1.4
226.06310	1.4
227.07129	3.6
235.04034	0.6
237.05545	4.9
238.06160	1.4
239.03467	4.4
239.07083	1.0
240.04263	61.8
241.04692	5.9
241.08589	0.4
247.04089	0.6
248.04688	1.0
251.03470	0.4
253.05043	1.5
254.05823	3.4
255.06607	16.3
255.13884	0.6
256.07101	2.1
257.12881	0.6
264.04279	1.2
265.05002	7.0
266.05688	1.2
267.06781	0.8
268.07254	0.5
269.08118	4.6
270.05841	0.7
270.08932	6.7
271.09457	0.8
281.08313	0.4
283.06110	29.3
284.06351	2.8
285.07693	2.1
285.12405	2.5
286.04785	0.5
286.08240	1.0
286.12674	0.5
297.07669	1.1
298.08429	47.8
299.08777	5.6
301.12915	1.6
313.10782	100.0
314.11148	12.2
319.13977	1.5
328.09586	1.3
329.11432	3.6
343.11804	1.9
361.12616	13.1
361.22293	1.0
362.13016	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	360.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18661	0.2
59.01370	0.7
61.43110	0.2
61.89491	0.2
61.98797	0.3
66.95444	0.2
69.52448	0.3
70.74984	0.5
70.75348	0.4
71.01372	0.7
73.02943	0.8
77.70860	0.2
78.95896	7.0
82.51486	0.2
83.63033	0.3
84.72665	0.2
85.02943	0.3
92.02547	0.8
94.05933	0.2
96.96009	1.6
107.03635	4.4
110.98523	5.2
111.15179	0.2
113.02474	0.3
115.00352	0.3
123.00912	1.2
124.01616	0.2
124.04740	0.2
127.05189	0.3
128.03568	0.4
131.03496	0.3
134.04721	100.0
135.05164	2.8
136.04854	0.2
138.03209	0.8
139.04036	0.3
152.99637	0.3
161.04581	0.4
167.01131	0.5
188.22769	0.2
192.99039	1.3
200.82661	0.2
225.01668	5.7
231.41121	0.2
272.16199	0.2
284.74249	0.3
301.09268	0.5
316.15164	0.3
329.52197	0.2
360.07098	10.5
360.17728	0.5
361.07904	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	360.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30554	2.6
53.83505	3.0
57.23723	2.8
59.01374	27.6
59.77351	3.5
63.32747	3.0
69.53336	20.2
74.22212	2.8
277.21539	9.6
278.22040	100.0
279.22552	7.0
305.40640	2.8
360.10034	3.4
360.22385	28.1
366.93167	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	361.0808
Annotation	DAF-2
Peak:m/z	Relative Intensity
59.01379	4.7
61.98817	1.6
67.01892	0.4
69.54834	2.1
69.55253	1.0
71.01373	3.0
72.99310	0.4
73.02945	0.7
74.02463	0.6
76.16236	0.4
76.85514	0.4
78.95900	6.4
79.95733	2.0
80.96510	0.9
85.02934	1.4
87.00896	0.6
89.02431	1.2
90.11629	0.4
93.30175	0.4
95.71275	0.4
96.96006	68.8
96.96888	2.3
98.20605	0.5
98.95575	1.0
99.00875	0.4
101.02425	1.4
111.00842	0.5
113.02438	1.4
120.99694	0.6
121.02961	0.6
123.00892	1.0
128.03552	0.9
133.01411	0.5
134.04692	1.7
135.05049	1.4
138.03209	1.2
149.02434	1.2
150.04297	0.6
151.03951	0.4
151.62810	0.4
161.04533	0.7
163.03995	0.7
186.12541	0.4
207.03432	0.4
211.00101	3.0
241.00212	3.3
249.06061	0.9
299.69214	0.4
301.10645	0.4
303.51089	0.4
331.11423	0.5
343.07040	1.4
361.08069	100.0
362.08542	7.9
366.86578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0925
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
57.03444	0.6
59.01368	0.5
65.00309	0.7
69.75742	0.6
69.76160	1.5
71.01350	0.3
79.95734	0.6
87.04504	5.2
95.01369	0.6
96.02122	0.5
96.95998	0.4
110.00106	0.8
111.00870	5.6
113.02445	1.0
125.02419	0.4
136.98796	1.4
139.00369	5.0
140.01146	100.0
141.01486	3.7
155.03494	58.1
156.03844	2.2
163.00464	0.6
178.02724	0.5
209.11858	0.5
287.05560	0.5
325.20053	2.1
346.06839	1.4
360.60040	0.8
361.09277	19.6
361.23926	0.5
362.09546	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	359.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
58.23917	0.3
58.68501	0.3
59.01378	3.1
71.01385	2.3
71.62580	0.6
72.99284	0.7
73.02952	0.6
76.49794	0.3
79.95742	3.0
80.96515	1.8
85.02943	2.1
87.00842	0.4
89.02428	0.7
91.01896	0.5
96.96001	84.3
99.00893	0.8
101.02446	1.4
103.55681	0.4
113.02452	1.1
122.97545	1.3
123.04532	0.9
129.01918	0.7
130.08713	0.5
135.04483	0.9
138.97066	1.4
150.97050	2.2
164.98575	0.4
167.03496	1.9
180.98134	1.2
182.43489	0.4
209.06580	0.4
241.00194	4.0
341.12357	0.6
359.10110	100.0
360.10464	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	359.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01085	0.5
59.01378	6.2
70.07494	1.3
71.01373	2.9
71.25431	0.3
73.02937	3.8
79.95722	0.6
83.01385	1.2
85.02957	0.7
95.01385	0.4
96.96005	1.0
101.02431	1.2
113.02426	1.0
125.02448	0.5
143.03522	0.4
155.10764	100.0
156.11073	4.7
169.12312	0.8
197.02405	0.7
197.11798	1.8
202.02739	1.5
209.11819	1.5
213.01956	1.7
214.02702	3.4
215.03122	0.5
225.44057	0.3
227.12790	0.4
242.02257	3.0
256.99628	0.3
257.04507	1.1
286.01236	1.6
301.03354	0.6
301.79895	0.4
314.00665	1.6
329.02994	6.0
330.03259	0.8
344.05347	9.4
345.05695	1.1
359.07669	8.0
359.14981	0.5
360.09085	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86749	0.5
59.01377	20.9
63.37179	0.5
70.63497	1.6
71.01386	0.6
99.59007	0.6
120.51624	0.5
233.22681	0.8
256.45193	0.7
259.20538	0.7
277.21698	100.0
278.22052	11.0
293.69348	0.6
359.21985	22.3
360.22290	2.5
382.03513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.8
69.90187	3.2
71.01362	1.0
77.63734	0.5
88.66650	0.6
99.40246	0.6
115.42962	0.7
134.35245	0.5
275.20007	0.8
277.21683	100.0
278.21994	9.7
359.22003	22.5
359.25427	0.5
360.22260	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	358.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20991	0.9
58.83139	1.0
59.01376	6.4
65.42833	0.8
65.66969	0.8
67.90977	0.8
68.99807	0.9
69.35959	7.7
70.02970	1.8
71.01371	2.7
79.95726	1.8
80.05050	0.9
81.02181	5.0
82.02975	2.7
82.06586	0.7
83.01379	1.0
85.02950	2.0
86.02516	0.9
87.00909	1.0
87.05629	2.4
88.04064	0.9
93.79611	0.8
95.02520	0.9
96.00902	8.0
96.95988	6.2
97.06585	1.1
98.02480	17.8
98.20693	1.2
99.04523	1.5
101.02473	1.3
106.59200	0.7
109.01030	0.9
109.01693	5.0
111.03280	1.1
113.03548	6.0
114.01935	3.1
119.04993	0.9
120.01237	3.8
121.02962	0.8
121.04053	1.1
121.67152	0.8
122.09782	1.4
123.00883	4.1
123.04507	1.0
124.01630	6.3
129.01891	1.5
129.10333	1.1
130.08733	95.8
131.04602	2.1
131.09076	4.4
132.04489	1.9
134.03625	1.5
136.01611	2.7
138.08194	1.6
138.09233	22.8
138.10289	1.6
139.08754	3.6
140.07156	7.5
140.10832	1.0
150.05597	0.9
151.03969	2.8
152.04306	1.0
152.07141	3.0
153.00662	1.4
154.01451	97.1
155.01767	3.6
161.03534	1.2
163.08809	0.9
164.09486	2.4
165.10326	2.3
166.08714	41.2
167.03444	1.0
167.09120	1.3
168.08980	1.3
168.10275	3.0
181.09813	1.2
183.11414	1.3
199.18121	7.5
204.09000	2.6
209.09219	1.5
210.07451	1.1
225.16063	10.1
227.10332	4.1
233.16518	3.2
235.18150	11.5
236.11731	1.4
243.17105	9.3
253.19124	1.0
256.99600	1.0
261.16040	10.4
262.07959	1.3
279.17117	8.3
280.17557	1.4
297.12497	0.9
297.18417	1.4
315.13440	1.0
323.16092	100.0
324.16370	9.2
340.18707	54.2
341.18857	4.9
358.07614	9.6
358.19516	28.6
359.16879	3.9
359.20435	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	358.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23837	19.0
54.31002	17.7
59.01381	59.0
61.98835	23.8
69.29619	100.0
69.30046	74.5
85.67414	18.2
98.91908	19.2
337.29318	22.7
358.13574	28.5
359.25790	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36190	0.4
59.01375	100.0
60.01722	0.7
61.98847	0.5
69.91936	0.9
69.92339	2.7
89.32554	0.5
119.19945	0.5
119.94720	0.6
121.02973	0.5
143.53574	0.5
166.82681	0.6
298.27429	1.0
362.09064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.9
57.03450	6.0
59.01370	2.2
61.13760	0.7
63.83055	0.6
65.00314	1.5
67.01888	0.9
68.65976	0.7
68.99804	2.2
69.03458	2.8
69.64557	2.3
69.64966	1.6
71.01380	7.9
72.99310	5.3
79.18320	0.7
83.01382	3.6
85.02943	18.6
87.00872	3.3
87.04508	3.2
91.01882	10.5
96.95994	1.4
97.02937	7.3
99.00853	7.4
108.02131	4.6
109.02962	1.6
111.00864	4.1
113.02445	2.6
115.04013	5.1
123.04516	36.8
123.10683	0.8
124.01672	0.8
124.04864	0.9
124.75915	0.7
129.01933	17.8
141.01910	3.7
150.07216	0.7
152.01129	5.3
153.01907	2.7
153.09396	0.7
159.02983	3.9
167.03476	100.0
168.03824	5.0
181.05119	0.9
191.05582	18.9
192.05919	1.0
209.06631	13.6
235.06076	1.3
281.15878	0.6
327.07098	2.3
359.09808	35.8
360.10092	3.8
371.19138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	5.7
70.02984	2.3
71.01365	2.1
71.63266	1.6
81.02193	4.3
82.06605	2.6
87.05598	2.4
89.02433	1.9
91.01347	1.3
93.03522	1.4
96.00914	11.1
96.95982	5.4
98.02474	21.3
108.22929	1.3
109.01671	2.8
109.02908	2.6
113.03539	7.8
114.01936	1.8
125.08472	1.6
129.10341	1.7
130.08731	64.6
131.09055	1.5
133.05339	2.7
138.09233	20.1
139.08766	5.0
140.07133	4.7
142.50928	1.7
156.06642	1.4
165.10271	2.1
166.08707	26.6
177.98636	1.3
179.03423	2.1
185.83147	1.5
191.03470	3.6
192.11530	1.4
198.11429	1.6
199.18112	4.1
204.20976	1.3
204.52896	1.4
225.16031	8.1
233.16548	3.2
235.18221	8.8
236.11597	3.5
243.17166	6.8
261.16129	7.7
262.16379	1.3
279.16980	6.2
323.16077	100.0
324.16360	10.2
340.12363	6.5
340.18707	53.0
341.19260	7.0
358.09949	1.9
358.19214	12.5
359.09052	3.2
359.20428	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	358.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.6
69.47865	6.3
70.03001	1.4
71.01372	2.3
72.86272	0.8
76.71631	1.1
79.95733	1.3
81.02181	4.8
82.02995	2.3
85.02946	2.5
87.05643	2.4
96.00902	5.9
96.96014	3.9
98.02474	12.1
109.01688	2.7
113.03605	4.7
114.01965	2.6
120.01262	4.9
122.09768	1.3
123.00860	3.1
123.04553	1.3
124.01665	7.7
126.89422	1.0
130.08740	70.3
131.04630	1.8
131.09056	2.8
132.04527	1.2
138.09248	16.4
139.08763	2.6
140.07181	7.0
151.03979	1.2
153.00706	1.9
154.01460	100.0
155.01788	3.8
158.40381	1.1
161.03581	1.4
164.09508	2.0
165.10361	1.6
166.07339	1.6
166.08731	29.4
167.09137	1.3
168.10320	1.6
199.18121	4.7
204.09012	2.0
209.09332	1.9
222.10114	0.9
225.16072	6.9
233.16570	3.9
235.18102	8.2
236.11600	1.3
243.17149	7.1
253.19142	1.2
256.99554	1.4
261.16052	7.8
279.17087	6.2
323.16092	82.3
324.16534	7.6
340.18713	35.4
341.19077	2.7
358.07535	11.8
358.19662	20.7
359.16638	1.2
359.20474	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98834	4.6
66.30630	2.5
70.76496	8.4
83.01397	9.6
99.23347	2.6
121.02946	9.4
122.03733	3.0
150.37202	2.9
173.85123	2.7
192.95815	7.9
253.21666	4.4
271.22794	40.5
272.23132	4.2
274.14505	3.0
313.23819	25.3
313.68182	3.2
327.12418	3.7
357.13495	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	358.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62325	0.9
69.25305	10.0
96.95991	1.9
106.02975	0.9
108.02173	1.5
109.02922	1.8
123.04483	2.0
130.08704	3.7
132.02150	3.2
133.02950	8.0
134.03720	15.7
135.04547	1.9
136.01678	1.3
147.04446	1.3
148.04042	39.2
148.05240	4.0
149.04774	19.8
149.06032	6.8
158.20583	1.0
160.01657	14.4
161.02428	67.3
162.02789	3.5
163.05078	1.9
163.06372	28.9
164.06699	1.7
175.02687	1.6
175.03993	15.7
187.43745	0.9
190.05054	3.4
234.07698	1.3
267.06488	1.6
282.08871	2.8
325.09494	8.8
340.11835	100.0
341.12134	12.3
358.12909	9.9
358.21957	2.8
359.14664	2.9
359.20242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97557	1.1
59.01380	0.5
64.34866	0.4
69.67307	2.3
85.77158	0.5
92.05025	0.5
96.96026	0.9
98.19866	0.8
99.21962	0.5
106.03032	0.7
108.02150	2.4
108.08204	1.1
109.02955	1.5
111.00852	0.5
117.03490	0.7
120.04560	0.9
121.02998	0.8
123.04527	2.2
124.63262	0.4
132.02144	2.4
133.02954	7.6
134.03734	15.7
135.04538	3.1
136.01660	1.7
137.02467	1.0
138.63240	0.5
145.02982	0.8
146.92578	0.5
147.03273	1.2
147.04518	1.5
148.04066	43.0
148.05284	7.3
149.04799	22.2
149.06067	6.9
150.03230	0.9
150.05183	1.5
150.06322	0.6
151.03963	1.6
152.07181	1.0
160.01649	12.3
160.03848	0.5
161.02435	66.0
162.02792	4.3
163.06383	28.7
164.06895	1.6
175.02737	1.2
175.04015	14.7
176.04324	0.9
177.05498	1.3
190.05069	4.1
196.06172	0.7
203.07126	1.0
204.07506	0.8
221.08098	0.6
222.08626	0.9
234.02367	1.0
234.07681	1.4
267.06473	2.3
282.08908	3.0
312.12939	0.5
325.09518	8.3
326.09833	0.9
328.12653	0.6
340.11868	100.0
341.12207	13.0
358.12979	9.1
359.08780	1.9
359.13278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1338
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
59.01372	5.7
60.48213	1.2
69.49787	1.4
70.44726	2.3
71.01356	2.8
72.40594	1.2
83.01380	2.5
93.03474	1.7
96.95992	7.7
101.02448	1.5
108.02164	26.6
121.02946	3.2
123.04512	34.6
131.05003	2.3
134.03754	2.8
135.04477	1.7
143.05031	2.0
145.02930	5.5
146.03749	2.7
147.04498	4.1
148.05307	10.9
149.02432	3.8
149.06059	9.5
150.03214	10.5
151.03986	1.9
153.05545	2.1
158.03719	5.6
159.04509	19.6
160.05283	26.9
161.02373	2.8
161.05991	5.0
162.03204	5.9
163.03957	2.5
163.07599	1.4
164.04761	2.5
165.05481	4.6
171.04593	1.7
171.65991	1.3
173.05997	2.5
174.03174	8.4
174.06813	1.5
175.03903	1.9
175.07620	8.8
176.04758	6.4
177.05548	94.0
178.06313	32.3
179.06628	1.8
180.04291	2.5
187.03976	14.3
188.04773	23.1
189.05424	2.1
191.07111	32.4
192.04276	4.1
192.07874	14.2
193.08601	2.6
201.05559	2.4
203.07121	100.0
204.07426	7.3
206.05809	21.0
208.39194	1.5
210.05281	13.0
211.05722	1.6
219.06621	2.2
220.07376	3.9
221.08157	70.4
222.08536	5.2
224.06834	18.6
225.07281	1.7
251.06947	2.5
262.87054	1.4
263.07062	2.9
263.47891	1.5
264.07809	1.6
279.06525	2.9
280.07404	3.8
281.08234	7.4
282.08575	2.2
283.09784	1.6
291.06625	4.3
296.10495	3.0
297.07761	4.4
298.08325	2.3
299.12894	2.8
306.08960	2.1
309.07745	8.0
309.10864	1.6
310.08011	1.8
311.12894	4.6
312.10046	3.4
313.07404	2.0
313.10547	7.1
314.11130	1.5
324.10138	7.7
327.08951	2.5
327.12341	18.1
328.13162	1.5
339.12326	53.2
340.12473	8.6
357.13385	52.5
358.13547	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	356.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71356	0.9
56.94152	0.8
59.01376	100.0
61.98821	3.8
64.26173	0.9
71.09914	1.6
71.10241	1.4
82.05119	1.1
82.21910	0.9
83.01400	1.1
105.37570	0.9
121.02937	3.2
161.04680	1.0
190.05132	1.6
192.95796	1.3
219.65463	0.9
303.48001	0.9
357.13385	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	357.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
61.98821	0.3
65.92891	0.2
69.76250	1.4
71.01374	0.2
81.03458	0.3
83.73664	0.2
93.03473	0.3
95.05026	0.7
96.96008	1.0
105.03465	0.3
108.02186	0.5
108.34618	0.2
109.02946	9.2
121.02952	0.5
122.03731	0.8
123.04517	77.2
124.04838	2.9
134.03792	0.3
135.04521	0.3
146.53577	0.3
152.04724	0.3
153.01964	11.1
153.05562	100.0
154.02200	0.6
154.05890	5.7
165.37332	0.2
195.06577	0.4
225.46007	0.2
242.18700	0.6
297.09854	0.6
315.10754	0.4
328.38925	0.2
357.08185	2.0
357.12076	1.9
358.19858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.5
63.93460	0.4
70.10941	1.4
70.11296	0.7
71.01388	1.0
73.02972	0.4
82.20052	0.4
85.02962	0.5
93.03456	0.5
95.05008	0.6
96.96043	0.6
97.02955	1.0
101.02391	0.6
108.02164	0.5
109.02947	1.9
113.02407	0.5
121.02948	5.8
122.03764	0.8
123.04511	69.5
124.04817	2.7
128.67471	0.4
133.02969	0.9
135.04440	0.7
151.04010	2.1
151.11263	0.4
152.04756	3.4
153.02083	1.9
153.05557	100.0
154.05887	5.5
165.05531	0.5
177.36652	0.4
195.06633	4.7
198.76787	0.4
219.06595	1.4
267.58810	0.4
275.93958	0.4
297.06403	0.7
297.09735	10.4
298.10062	1.2
298.56949	0.4
315.07056	0.5
315.10800	8.0
316.11136	1.3
357.08005	0.6
357.11853	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	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
59.59276	0.4
60.26803	0.4
69.03459	0.4
69.99269	1.2
69.99662	0.8
70.09473	0.4
73.45067	0.4
79.44185	0.4
95.05017	0.5
108.02177	4.8
109.02958	4.3
112.33248	0.4
121.02953	0.8
122.03777	1.0
123.04517	72.7
124.04838	3.3
152.01176	2.0
153.02095	3.7
153.05569	100.0
154.05888	5.1
168.04265	0.4
169.04022	0.4
260.20731	0.4
357.07822	3.0
357.11874	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	357.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
59.37376	0.3
67.69951	0.3
69.97092	1.5
71.50817	0.3
87.00848	0.3
95.05060	0.3
98.19856	0.4
121.02968	0.3
122.03730	0.3
123.04514	60.6
124.04818	3.1
135.04529	0.5
153.05559	100.0
154.05911	4.5
269.45853	0.3
309.24225	0.3
315.10934	0.4
357.11871	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40752	0.3
59.01388	0.3
59.62813	0.3
68.56779	0.2
70.11678	0.8
70.12086	0.5
93.03459	0.4
95.05019	0.6
122.03729	0.7
123.04516	75.1
124.04855	3.0
133.91600	0.3
153.05563	100.0
154.05916	5.4
334.84457	0.3
357.07922	0.3
357.11938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47549	1.0
51.64656	1.1
54.45813	1.1
55.01861	1.8
57.03444	10.2
59.01374	6.5
60.12293	1.2
65.56026	1.4
67.01889	1.9
68.99807	1.4
69.03455	4.0
70.05990	6.4
71.01374	10.7
71.10683	1.1
72.99306	5.2
73.02951	1.7
83.01370	2.4
84.02161	1.6
85.02943	33.7
87.00883	9.1
87.04498	2.7
89.02425	1.3
93.03419	1.4
94.85468	1.4
97.02941	8.1
98.19929	1.5
99.00878	6.6
101.02459	1.9
107.05033	6.1
111.00874	3.5
115.04013	3.9
119.05017	67.3
120.05327	3.9
120.83418	1.3
129.01930	25.4
134.03738	8.7
134.88835	1.2
141.01970	4.3
145.02957	5.4
153.75566	1.3
159.02954	6.7
160.01669	1.8
163.03993	79.4
164.04350	6.5
191.05560	12.7
191.06870	1.3
193.05092	8.7
209.06638	100.0
210.06978	3.8
235.06104	2.0
275.46252	1.3
355.10272	30.5
356.10757	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	355.1579
Annotation	Dipegine
Peak:m/z	Relative Intensity
58.45712	0.4
61.98824	1.7
63.54441	0.4
71.25690	0.9
79.95728	0.6
84.56171	0.5
84.93877	0.6
89.97755	0.4
92.13191	0.4
99.92578	57.1
100.92589	3.6
100.93376	2.2
100.95979	0.4
115.92072	31.4
116.92851	100.0
117.92862	5.5
117.93618	0.9
123.64632	0.4
133.98737	0.5
158.22900	0.5
199.00674	5.0
200.01094	0.7
225.22185	1.5
231.57150	0.4
255.23303	0.5
276.18436	0.4
302.66669	0.4
311.16873	0.9
325.14648	1.6
343.15775	2.0
344.85156	0.5
355.15756	75.4
355.19580	10.1
356.15970	13.9
356.19806	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	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.04531	1.5
59.01366	1.9
61.98807	1.9
78.58324	1.6
78.98503	1.4
85.02956	2.0
109.02954	1.7
122.03703	9.8
127.07689	2.4
131.56837	1.6
135.04514	25.2
136.01640	2.4
147.08151	5.3
149.06102	2.6
149.09685	8.3
151.07657	3.2
154.02698	3.7
161.09706	10.1
163.07622	3.3
163.11273	56.0
164.08405	18.4
164.11562	2.9
165.09200	8.7
177.09198	78.7
178.09940	20.6
179.10757	79.4
180.11104	7.3
187.11278	2.7
191.10748	13.2
193.08620	8.4
244.38225	1.8
265.11996	1.7
280.14816	2.9
298.15710	57.3
299.16071	5.9
307.16833	3.0
309.22296	2.2
312.13782	2.5
322.19443	2.5
335.69406	1.8
337.21713	53.1
338.21997	8.5
340.20389	100.0
341.20673	12.2
355.19455	4.2
355.22781	94.4
356.23050	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	355.2849
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
53.37333	0.9
58.60785	1.0
60.41837	0.8
61.98816	3.9
66.27596	0.9
68.74524	0.9
70.56059	2.9
98.00068	2.3
127.13828	0.8
178.51010	0.8
182.05725	1.0
199.00606	1.5
261.31400	1.1
293.28494	2.9
311.29514	68.9
312.29788	8.7
337.27560	3.9
355.19559	4.8
355.28488	100.0
356.28897	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3216
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
53.61436	0.7
54.17527	0.7
56.36613	0.7
60.47413	0.6
61.98812	3.3
69.89848	1.9
69.90253	2.6
80.81257	0.8
145.09630	0.8
199.00652	3.3
231.57968	0.9
305.55716	0.8
309.31555	3.6
337.31171	1.1
353.30502	1.1
355.19611	8.9
355.32135	100.0
356.19910	1.1
356.32437	15.9
364.12219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98824	100.0
62.09343	0.3
64.09637	0.4
66.75858	0.4
69.83962	0.4
70.69907	0.9
70.70279	0.7
81.31866	0.4
83.01400	0.6
97.89794	0.3
111.21315	0.4
121.02971	1.6
122.03718	0.4
187.09741	0.5
192.95836	0.5
221.15297	0.7
236.10431	0.7
323.49167	0.4
357.13165	0.9
357.26746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1031
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
57.03428	0.8
57.74340	0.7
58.00575	1.0
59.01380	10.2
62.59082	0.6
67.11311	0.7
69.62611	1.4
69.63040	3.3
71.01376	6.4
85.02956	3.6
87.00870	1.0
89.02444	4.8
90.79066	0.6
96.95988	1.8
101.02416	1.3
107.05036	1.5
109.02916	0.9
113.02427	1.5
119.03486	1.4
119.05012	1.6
129.01901	1.9
132.02168	12.7
134.03737	10.7
135.04120	1.0
147.04498	1.1
149.06071	3.2
150.03172	0.8
151.03999	34.5
152.04366	1.4
160.01645	68.0
161.01938	3.7
163.03966	3.5
174.03223	0.9
175.03987	100.0
176.04404	5.4
178.02731	0.7
191.07068	2.8
193.03291	1.1
193.05040	20.7
194.05438	1.3
202.02618	0.9
207.06625	0.8
209.06682	7.2
216.77574	0.7
217.05092	6.3
235.06104	5.4
265.07059	2.2
295.08087	4.3
355.10315	9.6
356.10760	1.6
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
51.17674	1.1
57.03451	9.2
59.01371	6.2
68.99799	1.9
69.03446	2.1
69.58887	6.5
71.01385	8.1
72.99305	4.1
80.27252	1.1
83.01392	3.6
84.02156	1.5
85.02942	29.5
87.00880	10.7
87.04507	2.7
89.02432	1.5
96.92629	1.3
97.02943	4.3
99.00864	5.8
101.02448	1.4
111.00876	4.9
113.02438	1.5
115.03990	2.6
119.05028	43.4
120.05345	3.4
129.01933	28.4
141.01936	4.0
145.02890	5.7
159.02966	5.6
163.04001	62.6
164.04317	4.1
170.81168	1.0
191.05589	11.5
192.37367	1.3
193.05031	1.8
209.06645	100.0
210.06975	3.6
249.91429	1.1
313.12897	1.8
355.10321	36.5
356.10690	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	354.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15860	0.6
61.24175	0.6
61.98819	0.8
63.47324	0.6
67.18539	0.6
71.62453	0.7
71.62897	1.4
72.99341	1.8
80.19911	0.6
84.99520	0.7
116.07167	100.0
117.07487	2.9
145.72914	0.8
160.28052	0.7
175.92180	0.6
191.93416	0.8
199.00742	1.1
239.23816	1.2
254.24797	0.8
279.23282	0.9
295.84705	0.7
310.31152	5.7
354.30090	76.5
355.19543	5.3
355.30417	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	5.9
79.33231	1.4
79.95696	1.4
84.07334	1.6
89.00333	3.3
121.02937	8.6
134.19872	1.4
172.01613	5.4
181.02962	2.5
187.03975	6.6
190.05200	1.6
197.02325	1.9
200.00958	1.8
209.02426	13.8
212.04698	1.6
220.20331	1.8
224.04732	5.7
225.01918	11.0
226.02174	1.8
237.05501	2.5
239.03496	4.3
252.00580	2.4
253.01373	20.2
254.01616	2.5
267.03036	8.2
268.03738	7.7
269.04453	1.7
281.00629	2.6
281.17603	6.5
296.03253	44.8
297.03708	4.7
311.05594	100.0
312.05835	8.7
325.03690	2.7
340.05673	1.9
343.52023	1.6
350.47894	1.4
355.08258	2.4
355.15546	2.6
355.24844	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	355.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.8
61.98816	1.1
68.49651	0.6
69.99468	0.5
73.29451	0.6
89.00316	1.6
92.81645	0.6
93.95329	0.5
106.00614	0.7
116.60618	0.5
121.02937	2.5
132.53560	0.5
141.03474	0.6
142.01372	0.5
154.72023	0.5
172.01630	2.5
176.05486	0.5
185.92104	0.6
190.04970	0.8
197.02457	1.4
209.02435	5.5
222.03223	2.6
225.01935	3.3
227.03407	0.8
237.01891	2.0
240.04230	0.7
252.00591	0.8
253.01393	60.1
254.01767	5.1
267.02963	0.9
268.03702	2.0
281.00891	73.6
282.01215	7.2
295.02573	0.7
296.03229	29.7
297.03445	3.3
311.05585	100.0
312.02710	0.6
312.05930	11.6
354.24219	1.2
355.04446	0.6
355.12219	0.7
355.24762	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0819
Annotation	Sulindac
Peak:m/z	Relative Intensity
55.27019	2.0
56.42512	1.8
57.04189	1.8
58.37252	1.7
59.01390	11.2
61.98822	2.3
70.82976	4.0
74.04156	2.0
77.58071	1.9
88.50494	1.9
96.95973	2.1
119.05025	21.0
121.02947	100.0
122.03317	4.9
154.86481	2.0
163.03981	13.1
181.06541	2.5
200.69536	2.0
239.28262	2.2
311.09235	93.4
312.09415	11.7
355.08292	56.8
355.12564	4.5
355.24875	7.7
356.08557	5.7
365.89600	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	354.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.2
61.98820	3.4
66.03487	1.0
69.59962	0.8
70.52440	2.7
71.01380	2.0
73.87759	0.7
77.41201	0.7
78.74093	0.7
79.95734	1.7
82.02987	1.8
84.04539	0.9
85.02944	2.5
86.02480	21.4
87.00903	1.6
87.02840	0.8
89.02448	0.9
90.03333	0.7
96.04498	0.9
96.96013	12.5
98.02456	1.1
101.02416	1.1
108.04541	2.8
110.02470	3.0
110.18703	0.8
112.04041	1.8
114.05602	100.0
115.05943	2.4
119.04993	1.3
127.05148	2.4
128.03522	4.2
130.08731	20.8
131.04655	1.0
134.03732	29.0
136.07695	1.0
137.02454	1.9
138.09271	0.9
146.06071	0.9
149.06076	9.4
151.04004	4.2
152.07164	2.8
152.10767	0.8
153.06679	3.4
154.08734	3.3
160.01614	2.2
167.11806	1.5
171.07744	9.2
175.03969	3.4
178.02702	9.1
179.08244	2.1
191.05556	4.7
192.05942	2.9
193.05040	39.0
195.11357	6.4
197.12871	4.5
209.06601	1.6
211.10828	1.5
217.04974	1.1
239.10361	9.2
241.00238	2.4
266.18677	5.8
269.15067	1.7
292.16840	1.2
296.73184	1.0
310.17694	41.4
311.07047	0.8
311.17981	4.3
354.08075	8.5
354.16678	24.9
354.58322	2.8
355.10370	1.8
355.16690	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	354.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	0.5
69.52010	1.5
81.03445	0.4
81.70422	0.2
83.05027	0.7
95.05017	0.3
96.95992	0.2
97.06568	0.4
109.06610	0.4
110.18618	0.2
124.33063	0.2
128.10808	2.3
130.08728	100.0
131.09090	3.7
140.07120	0.3
149.09679	0.5
151.11292	1.0
161.09686	0.3
179.10754	1.2
192.17535	0.3
194.15520	0.3
223.09691	0.4
246.18575	0.3
248.20203	1.4
274.18277	0.5
292.19144	4.0
293.19540	0.4
310.20203	19.9
311.20526	2.3
318.17160	0.5
336.18124	4.5
337.18399	0.7
349.85797	0.2
354.19177	44.7
355.10742	0.4
355.19513	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	353.2329
Annotation	(-)-Enunicelline
Peak:m/z	Relative Intensity
50.86527	0.5
54.80732	0.6
57.03445	13.9
59.01371	1.9
71.01377	4.1
71.05010	2.3
71.50366	1.1
72.02158	3.4
73.02938	2.2
83.05022	1.1
85.02950	5.9
87.04507	86.8
88.04844	1.5
96.95967	0.6
99.04460	0.7
101.06102	1.3
106.37798	0.6
110.88373	0.5
111.08158	2.1
119.08626	1.7
123.04525	0.9
125.09696	1.1
135.08156	0.7
135.11797	1.3
137.09711	25.0
138.10031	1.3
153.12856	5.8
155.10751	8.8
169.12334	4.5
171.13892	3.2
181.08669	0.8
181.12320	1.7
191.05595	1.4
203.18008	1.7
226.86192	0.7
283.77054	0.5
313.71582	0.6
333.47281	0.6
338.50015	0.7
353.23291	100.0
354.23633	14.6
354.27802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13851	0.6
69.89673	3.6
70.91171	0.7
71.03276	0.8
75.70274	0.7
75.88673	0.7
87.74004	0.7
96.70347	0.8
96.95995	4.3
98.19910	1.1
103.07140	0.7
140.84431	0.9
309.27963	100.0
310.28354	10.7
322.01788	0.7
353.20453	6.5
353.26898	66.6
354.27316	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	353.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01859	0.6
59.90416	0.6
63.64482	0.7
70.03764	3.0
86.24145	0.6
96.96009	7.9
105.74908	0.7
118.59406	0.6
158.90411	0.6
191.05705	0.8
232.15797	0.8
291.53857	0.7
309.27948	100.0
310.28278	12.3
346.83142	0.7
353.20325	10.8
353.26874	65.9
353.30524	3.9
354.20203	1.1
354.27219	9.9
368.72021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
57.03439	3.1
58.00592	1.5
59.01375	29.8
59.74442	0.6
69.03452	0.9
71.01377	43.4
71.61777	0.8
72.01710	1.2
72.99301	2.4
73.02942	24.9
75.00855	1.5
83.01382	9.6
85.02947	24.1
87.00861	2.5
89.02433	10.1
95.01402	2.4
97.02959	2.0
98.46294	0.7
99.00864	8.8
101.02436	49.6
102.02758	1.0
107.29162	0.7
111.00867	1.6
112.04070	0.8
113.02444	18.8
115.03999	1.5
119.03490	1.1
125.02426	2.6
129.01851	1.1
131.03470	2.4
138.05608	4.7
143.03493	2.2
149.04520	1.6
153.05588	1.9
159.02985	2.9
161.04536	17.5
184.06125	1.3
191.05525	0.9
221.10272	100.0
222.10588	6.0
233.06572	1.4
264.92197	0.7
315.10825	0.9
320.71158	0.7
353.14478	95.0
354.14764	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	353.1861
Annotation	Rauhimbin
Peak:m/z	Relative Intensity
59.01373	5.0
61.98812	1.3
70.19781	4.5
145.79149	0.9
165.66850	1.0
171.10229	14.8
191.05592	4.3
196.99966	0.9
229.36324	1.0
277.21707	14.5
278.22076	1.4
295.22806	18.9
296.23120	3.1
317.21146	1.2
353.18576	100.0
354.18918	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	353.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98802	0.8
69.92453	3.6
71.82291	0.7
80.40591	0.7
85.80238	0.7
87.06548	0.6
96.95998	3.8
98.19959	1.3
99.05637	0.7
144.39932	0.7
191.05630	1.7
197.19083	0.7
222.63402	0.7
223.20628	4.2
225.22214	43.8
226.22549	4.2
241.45805	0.7
253.21707	1.0
271.22754	100.0
272.23120	10.0
277.21686	1.2
291.26846	3.5
353.19879	3.7
353.23651	7.1
353.30429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.5
65.67028	0.9
71.62948	0.8
71.63330	1.6
73.34097	0.9
73.74352	0.9
75.00867	11.1
80.41972	0.9
84.82496	0.9
87.55332	0.9
129.40314	1.0
253.21689	100.0
254.22002	8.7
269.67288	1.0
351.21661	2.1
351.28979	3.7
352.28958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2537
Annotation	9,11-methane-epoxy PGF1alpha
Peak:m/z	Relative Intensity
54.85933	0.7
58.14423	0.7
59.01377	3.3
61.72964	0.7
62.79619	0.8
71.63192	1.1
75.00855	0.7
87.62179	0.7
88.04032	2.4
94.42204	0.7
96.96005	1.4
118.24306	0.7
133.03026	0.8
154.14011	0.7
155.88048	0.7
156.84361	0.7
235.13156	0.7
237.67110	0.7
293.18149	0.9
296.26782	0.8
319.22748	10.1
320.23001	1.4
351.25351	100.0
352.25714	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	352.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	5.2
58.39493	1.6
59.01373	17.1
60.01704	3.8
60.63304	2.0
61.98829	30.6
64.15294	1.8
70.02982	4.9
71.01382	2.1
71.62473	3.3
74.02464	36.8
96.95983	6.2
98.02487	9.1
116.03518	12.6
116.05049	13.9
142.06587	2.7
159.09308	3.5
203.08249	40.3
225.07555	2.2
227.21132	2.4
245.09297	100.0
246.09584	7.7
353.08698	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	352.1763
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
58.02969	2.9
59.01381	0.6
68.32974	0.2
69.03453	0.4
80.05048	0.3
81.03455	1.5
83.05025	0.3
85.02967	0.3
95.05024	2.0
98.20743	0.4
109.06602	1.0
110.09738	1.2
123.04517	0.8
128.10808	9.3
129.11124	0.3
130.08728	100.0
131.09087	3.9
135.08151	1.8
151.11295	0.3
154.08710	2.0
156.06615	0.5
159.08203	0.3
172.09784	3.9
177.09151	1.2
179.07123	0.5
181.08704	1.0
221.08109	0.4
246.18625	1.4
247.18893	0.4
254.13953	0.3
266.68948	0.2
290.17572	2.8
291.17816	0.4
308.18634	11.9
309.19000	1.7
320.24408	0.2
334.16547	4.9
335.16953	0.7
352.17609	39.6
353.13385	0.3
353.17935	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62174	0.3
53.93212	0.4
59.01373	1.8
61.98827	0.6
69.74931	2.0
71.01381	1.9
71.01714	0.3
71.36054	0.3
72.99297	0.6
73.02943	1.5
75.00853	0.5
79.95734	2.0
80.96516	2.5
81.03471	0.4
83.01367	0.9
85.02945	1.9
87.00863	1.2
89.02451	0.6
96.96001	100.0
97.02953	0.4
101.02415	2.4
103.04018	1.2
106.99650	0.4
111.00958	0.5
113.02438	2.4
123.04491	0.9
128.02396	0.3
138.97092	0.6
150.96960	0.6
153.01944	1.0
153.05531	1.8
161.04562	1.0
164.31577	0.4
166.96481	0.9
191.05635	0.8
222.99091	1.1
241.00204	65.0
242.00516	3.1
249.06100	1.1
315.10840	0.5
335.09717	0.5
353.01779	53.0
353.10825	2.7
353.14590	1.0
354.02072	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	353.0874
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.39821	0.3
57.03434	0.3
59.01373	3.5
67.01862	0.5
71.01381	2.5
71.61520	0.5
72.99307	0.6
73.02950	0.9
78.95897	1.2
80.96475	0.4
81.03485	0.4
83.01346	0.4
85.02946	8.7
87.00852	2.1
88.98779	0.9
89.02463	0.6
93.03442	2.3
96.96006	11.3
96.96975	1.1
97.02962	0.4
99.00871	1.0
99.04496	1.0
101.02422	0.9
109.02937	0.8
111.00851	0.5
111.04492	0.9
112.98824	0.8
113.02435	1.1
123.04513	0.9
127.03978	1.5
128.03493	0.3
129.01936	0.9
135.04520	1.7
142.99863	0.6
143.03481	1.3
148.04193	0.5
149.02725	0.4
153.01892	0.3
153.05511	0.5
161.02441	1.7
161.04556	3.7
171.03041	0.5
173.00896	0.7
173.04506	1.8
173.09329	0.4
179.03461	0.9
191.05591	100.0
192.05936	4.7
209.06638	1.9
215.24919	0.3
236.76251	0.3
241.00189	5.4
249.06201	0.4
274.69144	0.3
330.89581	0.3
353.01855	4.8
353.09024	2.0
353.10373	1.9
353.14615	0.7
354.02206	0.4
354.09009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47905	1.4
59.01384	12.2
61.98812	2.4
69.60829	4.0
69.61233	5.2
71.01391	12.0
74.96175	5.3
89.94906	2.0
92.66323	1.4
96.96009	36.9
98.20625	1.7
100.80090	1.6
103.28635	1.8
107.65926	1.6
113.22790	1.4
116.66570	1.5
128.97263	3.7
172.70786	1.7
177.09171	3.3
186.95634	1.7
192.11545	7.4
192.95799	5.3
205.12334	2.4
207.13788	2.7
218.09537	2.1
220.12517	2.9
220.14682	54.4
221.15440	100.0
222.15839	8.9
231.17366	2.2
235.13440	2.6
236.10524	80.4
237.10878	8.3
268.96027	1.8
271.22736	5.7
275.16470	5.2
278.10480	3.1
279.11288	3.4
293.17542	17.4
294.17889	2.1
333.12347	6.8
351.13336	71.6
351.18246	19.6
352.13654	6.9
352.18164	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	351.1703
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
50.73645	1.2
58.58761	1.0
59.01374	10.1
71.61972	1.5
96.95992	3.8
121.08179	1.0
121.10210	5.6
171.10257	14.5
186.81584	1.0
192.95815	2.1
235.10008	1.1
269.21298	1.5
275.20117	14.0
276.20370	1.4
293.21170	12.0
351.17047	100.0
352.17303	12.1
370.10596	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.5
59.01377	12.8
68.99794	1.1
69.03439	1.0
71.01385	10.7
72.99303	3.9
73.02953	1.1
75.00867	16.2
78.34254	1.0
85.02949	17.5
87.00882	6.0
89.02441	2.7
95.01379	3.7
99.00883	6.9
101.06075	100.0
102.06390	2.1
103.00325	1.6
112.22244	1.0
113.01696	1.2
113.02444	18.7
115.00342	1.7
117.01925	2.7
129.01965	1.8
155.70212	1.1
175.02490	1.7
199.61006	0.9
214.54269	1.0
230.38545	1.5
231.05087	2.4
249.06151	14.4
266.83487	1.0
267.07211	1.4
333.11780	3.0
351.12936	84.5
352.13266	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	351.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84418	1.3
59.01375	14.6
67.15885	1.4
69.81578	2.8
69.81989	4.6
71.01381	7.9
73.27504	1.2
77.18527	1.5
78.95903	8.1
85.02921	2.5
87.03756	1.3
88.04024	2.0
89.02441	8.2
95.18375	1.5
96.96943	12.4
98.19920	1.9
101.02451	7.1
113.02425	3.3
119.03483	2.7
119.44239	1.4
123.04510	45.2
124.04826	3.5
127.05128	1.4
135.04510	9.0
152.07158	8.6
153.05563	100.0
154.05901	3.6
159.02998	2.0
160.06181	2.7
165.92520	1.4
172.06094	1.6
197.66443	1.4
313.11456	9.5
315.10773	55.6
316.11200	4.1
351.08499	4.8
351.12933	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03437	4.9
59.01376	9.8
65.13336	1.3
66.01329	1.2
68.99803	1.9
69.03445	9.8
69.66922	8.2
70.29635	1.2
71.01382	12.7
72.99300	7.7
73.02940	2.2
83.01392	2.3
85.02947	21.5
87.00874	8.9
87.04520	2.7
89.02407	2.2
95.05013	12.0
96.96001	3.4
97.02942	14.3
97.06584	75.9
98.06921	3.7
98.20748	1.3
99.00874	7.2
100.53231	1.3
101.02499	3.0
109.02963	2.1
111.00871	3.0
113.02475	3.2
115.00326	1.9
115.03999	5.2
115.07639	21.7
121.77213	1.2
129.01949	14.7
132.02167	1.2
141.01924	9.4
141.05585	3.6
146.02454	1.5
147.03232	2.1
148.04042	11.9
159.06618	90.7
160.06932	4.6
175.02481	3.7
183.06679	1.5
191.05659	13.5
209.06606	5.4
216.00562	1.4
231.03111	1.6
241.00172	2.1
288.65726	1.4
351.12912	100.0
351.16528	6.8
352.13385	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	351.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57487	0.4
57.03432	0.8
59.01376	3.4
67.83530	0.5
68.99816	0.9
69.03448	0.8
69.28548	0.4
69.64243	3.1
71.01369	2.6
72.99322	1.1
79.95726	3.3
80.96518	1.8
85.02932	3.4
87.00861	2.3
95.05016	0.8
96.96005	100.0
97.02943	1.5
97.06585	8.3
97.95963	0.5
99.00897	0.8
101.02451	1.3
101.06084	1.3
109.02946	20.6
110.03289	0.7
113.02441	1.8
115.00341	0.5
115.07646	1.8
119.03478	0.6
123.04489	2.5
129.01912	1.4
132.28424	0.4
134.03711	1.1
138.97066	1.1
141.01944	0.8
144.73973	0.5
145.01276	0.4
148.04041	1.7
150.97043	0.7
151.03979	3.0
159.06618	8.5
166.96461	0.5
175.02481	0.6
179.63739	0.5
181.05072	0.6
191.05537	0.9
193.05034	0.9
235.64130	0.4
241.00209	32.0
242.00468	1.5
271.08264	1.4
351.03864	84.2
351.12906	10.6
351.16562	1.6
352.04184	8.2
352.13339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02113	0.5
53.43864	0.5
59.01368	3.0
60.66004	0.5
68.99845	0.6
71.56051	0.6
71.69339	0.5
75.00868	0.9
77.03949	2.1
77.80271	0.6
96.96038	0.8
111.00837	1.3
121.02943	4.9
123.00897	2.7
124.01665	3.1
137.02438	14.6
152.01147	3.0
165.01906	41.7
166.02257	2.4
186.95583	1.0
192.95804	1.6
256.07379	54.1
257.07703	5.0
269.04498	2.9
269.07956	1.0
271.09723	100.0
272.10040	10.8
285.71970	0.6
351.05283	8.2
351.21747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	19.5
71.01379	14.3
71.54941	2.8
78.95910	2.0
85.02946	2.0
87.00874	4.4
89.02441	28.2
94.92531	3.3
99.00858	2.2
101.02426	15.8
108.34408	2.0
108.90171	5.0
113.02440	5.6
119.03499	7.7
131.03523	4.8
149.04550	11.7
151.06122	5.8
163.05864	2.2
169.06082	3.5
179.05591	6.8
181.07236	4.4
229.12157	2.0
258.66037	2.5
260.94434	3.0
276.50681	2.7
286.92352	2.4
311.09814	2.8
313.11374	100.0
314.11667	7.7
348.92340	3.0
349.09171	42.8
350.09137	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	1.5
61.98833	1.8
62.44956	0.5
71.01405	0.7
71.62235	0.8
73.02958	2.0
75.34993	0.5
75.57936	0.5
77.12160	0.6
81.73328	0.5
89.10760	0.5
96.96027	2.3
98.53677	0.5
102.59457	0.6
120.99676	1.2
134.03542	0.5
157.08746	0.9
176.04567	0.5
180.06706	0.6
187.08022	0.9
261.11737	1.3
269.04398	0.6
305.10110	0.7
349.06146	1.2
349.13293	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	53.5
61.98818	22.6
69.72491	25.8
69.72897	25.9
96.96030	10.5
122.38844	9.9
139.11311	19.9
155.06001	10.7
171.10255	20.6
174.93048	9.3
176.68069	9.3
293.21234	79.5
311.22278	100.0
331.16846	10.3
349.16614	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	349.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93262	0.7
59.01379	21.4
61.98827	1.2
71.49303	1.0
71.49632	1.3
78.16193	0.9
90.58549	0.9
94.24239	0.8
103.41940	0.8
129.04558	0.9
197.27745	0.9
240.37529	0.9
250.95865	0.9
267.23260	100.0
268.23639	11.4
270.61224	1.0
275.18317	0.9
280.09744	0.9
298.52859	1.0
331.18436	0.9
349.23553	28.6
349.27863	1.4
350.23785	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	350.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46201	13.9
59.01374	100.0
69.86008	75.1
89.86869	14.7
96.95998	26.3
96.97583	15.2
137.56931	15.9
154.88696	16.1
186.95532	18.7
192.95883	34.2
285.23117	16.4
313.23654	47.1
314.24036	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2696
Annotation	Melophlin E
Peak:m/z	Relative Intensity
56.09885	0.3
59.01371	0.7
62.27166	0.2
69.42249	1.1
69.42672	0.7
73.69106	0.3
86.06117	0.8
88.04036	100.0
89.03846	0.4
89.04359	1.7
136.39818	0.2
252.20432	0.2
287.32962	0.2
341.52863	0.3
350.26956	42.6
351.27277	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	348.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.82668	1.9
70.80685	6.0
83.09866	2.1
102.28876	1.9
114.11150	2.2
139.89990	2.2
268.19910	2.8
269.04468	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	348.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98826	100.0
62.98519	0.6
62.99263	0.3
63.99248	0.6
69.96018	1.0
69.96432	0.6
81.72993	0.3
98.20485	0.5
103.59598	0.3
162.98468	1.4
204.00009	1.1
205.00185	2.0
205.99721	3.2
206.97433	68.4
207.97542	5.9
271.16888	0.4
304.27646	0.3
304.30908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39143	0.5
65.00323	1.4
68.13935	0.5
68.99807	1.0
70.63029	0.8
70.63335	0.8
72.29693	0.5
82.00564	0.6
86.10461	0.7
86.31747	0.6
94.00626	1.8
110.00083	1.9
122.00087	4.3
135.00876	0.7
149.98466	1.1
149.99568	12.8
165.01997	0.9
198.06772	1.6
212.04771	0.8
225.05574	0.7
226.06244	3.7
227.07155	2.9
254.05817	51.7
255.06174	5.3
269.08157	100.0
270.08505	9.5
327.79398	0.7
349.03818	13.7
350.04095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0595
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
50.75284	0.4
54.12951	0.3
57.03445	0.4
59.01368	1.6
60.11483	0.3
63.78027	0.4
69.72635	0.7
69.73041	1.5
71.01362	1.5
72.99292	0.6
73.02950	0.9
79.95730	1.5
80.96513	0.9
82.51267	0.3
83.01409	0.4
85.02946	2.3
95.01320	0.3
96.96004	86.8
97.02913	0.4
97.95924	0.6
101.02444	1.3
127.07621	0.4
129.01953	0.5
151.30627	0.3
157.08687	3.3
191.05611	0.4
241.00322	1.7
287.33084	0.4
349.05936	100.0
350.06287	10.0
350.15216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0595
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
54.22095	0.5
55.60855	0.5
57.03430	1.4
59.01378	4.6
69.03440	0.8
69.70539	2.9
71.01383	5.7
72.99314	1.6
73.02948	1.3
73.64991	0.5
79.95739	3.0
80.96513	2.1
83.01382	0.9
85.02956	3.7
87.00856	1.2
89.02419	1.4
95.95243	1.3
96.96003	83.2
97.02924	1.3
99.00902	0.8
101.02444	2.7
113.02424	1.4
113.06087	4.5
121.02821	0.6
122.97574	1.8
129.01936	1.5
133.95433	0.6
141.01924	0.6
143.74857	0.6
150.97063	1.7
156.43610	0.6
157.05026	0.9
157.08705	0.6
164.98572	0.9
167.21735	0.5
169.08589	0.6
180.06679	0.6
180.98108	1.4
191.05583	1.2
209.06590	2.6
241.00249	3.3
245.04048	0.5
254.44386	0.6
349.05957	100.0
349.10837	4.8
349.15021	3.7
350.06244	10.0
350.17093	0.7
372.00476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42021	8.4
59.01369	19.7
70.96207	7.3
71.61785	12.7
74.49097	8.5
75.54305	6.9
130.33539	8.2
163.49025	8.5
171.10265	9.3
197.32584	8.9
211.13358	32.9
236.05450	9.2
293.21207	100.0
294.21396	10.5
306.99960	8.9
311.22241	60.4
313.91940	8.9
329.83517	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2952
Annotation	5,6-di-Me-PDC
Peak:m/z	Relative Intensity
56.92797	0.9
71.62508	1.1
71.80329	0.8
79.05515	1.1
81.03457	4.0
83.99994	0.8
99.51987	0.7
122.03782	1.3
155.15140	0.9
239.86812	0.7
243.24001	0.7
303.30524	1.6
305.28458	9.8
347.29514	100.0
348.29895	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	348.2539
Annotation	Neovasipyridone B
Peak:m/z	Relative Intensity
53.26454	0.4
58.58517	0.5
59.01374	0.8
70.76718	0.7
70.77076	1.3
72.99812	0.5
76.35496	0.5
88.04033	100.0
89.04380	1.9
300.76569	0.5
339.78851	0.5
348.25381	40.8
349.25726	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	347.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98822	20.3
68.76152	11.4
71.62093	13.2
109.25742	13.2
119.61801	11.5
153.31212	11.7
155.28258	14.1
291.19452	17.3
309.20679	46.0
356.78433	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	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31209	34.6
69.31638	33.1
70.36519	7.9
93.63794	7.4
96.96001	10.1
111.28419	8.1
139.11203	7.6
171.10225	15.2
180.61127	8.4
182.93346	9.5
188.57204	7.8
207.18730	9.0
214.76430	7.2
226.89255	8.0
228.55707	9.0
293.21106	14.0
309.20651	15.3
311.22253	100.0
312.22772	10.3
351.64365	7.9
355.15570	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	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42021	8.4
59.01369	19.7
70.96207	7.3
71.61785	12.7
74.49097	8.5
75.54305	6.9
130.33539	8.2
163.49025	8.5
171.10265	9.3
197.32584	8.9
211.13358	32.9
236.05450	9.2
293.21207	100.0
294.21396	10.5
306.99960	8.9
311.22241	60.4
313.91940	8.9
329.83517	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
53.05578	0.5
55.01862	1.3
57.03429	1.8
58.00581	1.2
58.76826	0.4
59.01376	22.7
61.98814	1.4
69.03426	0.6
69.80822	1.8
69.81241	1.1
71.01380	17.0
72.99300	1.8
73.02945	3.8
74.00687	2.7
76.57472	0.4
79.95726	14.3
80.96500	1.7
81.95313	0.5
83.01382	3.5
84.90836	0.5
85.02944	7.0
86.00098	1.0
87.00858	1.7
89.02444	7.5
95.01381	1.8
95.95216	3.0
96.96006	23.6
98.95576	0.5
99.00859	1.5
101.02437	10.8
102.02733	0.7
111.00886	0.9
113.02431	5.8
116.01749	7.8
117.03538	0.5
117.23505	0.4
119.03477	2.8
120.99612	0.8
121.02925	2.9
125.09721	0.5
128.03459	0.5
129.01927	1.0
135.04523	1.5
138.97032	0.9
155.10747	0.9
161.02429	1.2
161.04501	0.5
167.10753	4.3
169.12346	1.1
177.03932	0.7
178.01778	2.5
179.03581	1.0
185.11812	9.6
186.12073	0.7
199.09793	1.1
205.04442	0.6
233.20779	0.5
241.00201	1.8
256.99686	1.6
264.10052	0.7
266.06131	0.9
329.15903	1.2
347.09134	24.6
347.17056	100.0
347.55417	0.9
347.59265	10.2
348.08820	2.1
348.17361	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	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05578	0.5
55.01862	1.3
57.03429	1.8
58.00581	1.2
58.76826	0.4
59.01376	22.7
61.98814	1.4
69.03426	0.6
69.80822	1.8
69.81241	1.1
71.01380	17.0
72.99300	1.8
73.02945	3.8
74.00687	2.7
76.57472	0.4
79.95726	14.3
80.96500	1.7
81.95313	0.5
83.01382	3.5
84.90836	0.5
85.02944	7.0
86.00098	1.0
87.00858	1.7
89.02444	7.5
95.01381	1.8
95.95216	3.0
96.96006	23.6
98.95576	0.5
99.00859	1.5
101.02437	10.8
102.02733	0.7
111.00886	0.9
113.02431	5.8
116.01749	7.8
117.03538	0.5
117.23505	0.4
119.03477	2.8
120.99612	0.8
121.02925	2.9
125.09721	0.5
128.03459	0.5
129.01927	1.0
135.04523	1.5
138.97032	0.9
155.10747	0.9
161.02429	1.2
161.04501	0.5
167.10753	4.3
169.12346	1.1
177.03932	0.7
178.01778	2.5
179.03581	1.0
185.11812	9.6
186.12073	0.7
199.09793	1.1
205.04442	0.6
233.20779	0.5
241.00201	1.8
256.99686	1.6
264.10052	0.7
266.06131	0.9
329.15903	1.2
347.09134	24.6
347.17056	100.0
347.55417	0.9
347.59265	10.2
348.08820	2.1
348.17361	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	347.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
57.03440	6.4
59.01376	7.5
68.99792	1.1
69.03450	20.3
69.30321	6.1
70.03796	0.7
71.01373	9.4
72.99303	4.7
73.02930	1.3
74.02402	0.7
78.59646	0.7
79.01896	2.7
79.95739	5.0
81.03454	0.9
83.01381	2.0
83.05016	14.8
85.02509	0.7
85.02923	4.2
87.00870	1.1
89.02449	1.8
95.01393	3.1
95.95225	0.9
96.95991	5.7
97.02942	19.2
98.03299	1.2
98.19877	1.2
99.00889	2.1
101.02442	3.2
109.06573	3.4
111.00896	1.9
111.08147	100.0
112.08498	4.3
113.02443	2.3
129.01927	2.6
129.09216	3.9
138.84233	0.7
141.01926	20.3
142.02240	0.9
145.85648	0.8
150.56429	0.8
152.36594	0.7
155.03514	4.3
159.02968	1.0
167.10649	0.8
173.04768	4.2
173.08162	96.8
174.08536	4.0
185.11830	3.7
191.05609	1.6
197.08142	1.0
222.37483	0.6
277.00323	0.6
315.10773	2.0
320.02731	0.7
347.08957	7.1
347.13394	32.5
347.17142	24.2
347.59085	2.3
348.13727	3.0
348.17575	2.4
359.85889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	41.2
59.74006	12.2
61.98845	27.7
69.22063	13.4
70.15002	11.9
70.34943	12.7
71.62176	14.8
123.04540	22.9
179.10594	13.9
186.95580	21.4
266.23630	13.7
290.97131	66.7
291.19717	34.0
309.17331	26.7
309.20596	100.0
310.20914	14.0
324.31564	17.2
345.25812	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2278
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.66084	0.3
57.03443	2.1
59.01378	2.5
60.20842	0.3
61.98817	0.4
62.19759	0.3
66.08613	0.3
67.14513	0.3
70.84624	1.0
71.05019	0.6
75.00867	1.4
96.95972	0.4
97.06572	0.5
111.08105	0.3
113.09631	0.4
121.02962	0.4
125.09703	2.0
127.11287	1.6
132.44580	0.4
137.02484	0.3
137.09737	0.5
139.11311	1.9
141.12817	0.4
143.10724	0.4
146.75148	0.3
153.09128	0.4
153.12865	0.4
155.10739	1.2
171.10260	2.0
172.63107	0.4
183.10323	0.4
185.76138	0.4
201.11317	0.7
213.66458	0.3
229.19531	0.4
247.20647	11.1
248.21021	1.0
253.21716	0.4
263.20087	0.5
265.21671	9.0
266.22018	1.0
273.18521	0.4
281.21075	0.7
283.22659	1.2
287.01569	0.4
291.19611	4.6
292.20148	0.5
301.23831	0.8
309.20694	13.0
310.21140	1.5
327.21732	16.4
328.22003	2.2
330.06461	1.5
345.22763	100.0
346.23071	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	346.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	20.2
60.01712	2.1
61.01820	0.7
61.98826	100.0
69.63841	0.4
69.81183	2.3
71.32929	0.4
98.19877	0.8
112.13097	0.4
119.16776	0.3
129.52162	0.4
158.03700	0.8
159.03282	0.5
159.62259	0.4
189.90225	0.4
201.02568	3.0
202.02716	10.2
203.02258	13.2
203.99973	53.2
204.02577	3.7
205.00110	4.6
205.01918	0.5
205.02629	0.4
287.55905	0.5
346.00598	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0554
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
50.07539	0.2
59.01379	2.8
61.98824	3.0
62.96408	1.0
71.01389	1.3
71.61147	0.3
72.00912	0.3
72.99300	0.4
74.02465	1.3
76.58243	0.2
78.95898	54.3
82.02959	0.4
86.02480	0.4
87.00874	0.4
88.04063	0.7
89.02440	0.7
92.02531	0.4
96.00965	0.2
96.96019	2.9
96.96952	12.6
97.04572	0.3
97.95860	0.3
98.95578	0.3
101.02458	0.4
102.05608	0.7
104.03548	1.2
107.03636	2.0
110.02468	0.3
110.03593	1.0
113.02494	0.3
113.03477	0.3
116.07144	0.4
117.01993	0.3
120.96959	5.2
120.99657	0.3
123.04505	0.4
124.04054	0.4
127.05092	0.6
128.03520	2.7
129.10352	0.3
130.08737	0.7
134.04718	37.0
135.05099	0.9
140.07129	0.4
141.01796	0.4
141.06725	0.4
143.11891	0.6
145.06253	0.4
146.04533	0.6
148.04076	0.4
149.04597	0.5
152.04607	0.5
153.10286	0.5
155.11861	0.4
157.00116	0.3
161.04568	0.4
165.05600	0.4
169.09834	0.4
180.10274	0.6
186.12503	0.5
187.10811	0.6
194.36755	0.3
202.02692	0.3
203.02310	0.3
204.00027	1.2
211.00110	100.0
212.00491	3.4
214.05634	0.3
241.11891	0.4
267.09644	0.3
284.12582	0.3
298.14035	0.3
304.08096	0.4
316.15067	0.5
328.15015	0.4
331.57431	0.3
346.05493	10.6
346.09052	1.1
346.15961	4.7
347.05801	1.6
347.13303	0.5
347.17053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77987	1.5
55.01873	2.4
57.03443	3.1
58.00579	3.1
59.01377	100.0
61.79356	1.2
64.87160	1.3
69.03438	5.9
71.00983	3.2
71.01377	63.3
71.05055	1.3
72.01666	1.7
72.99293	7.2
73.02936	8.6
79.01894	1.4
83.01393	7.9
85.02933	17.3
87.00870	6.8
89.02444	48.0
95.01386	5.6
96.95989	4.9
97.02950	8.8
99.00858	4.6
101.02438	39.9
109.06590	7.7
113.02443	23.9
119.03486	19.8
120.99672	3.3
121.10220	11.8
123.04466	1.6
123.08096	1.4
127.07648	42.2
129.01941	2.9
131.03482	2.2
135.04478	2.1
135.85170	1.4
137.02382	1.9
141.01926	7.6
143.03453	1.8
149.04588	1.9
151.07654	2.4
153.05560	2.3
161.04494	6.2
165.09190	11.7
171.06616	14.2
177.12788	4.4
179.05614	1.9
183.10211	3.0
187.11261	5.0
205.12228	4.7
231.10191	3.1
240.24960	1.4
293.10269	10.8
313.09067	2.0
327.08920	9.1
345.10803	12.2
345.15503	97.3
346.11053	2.1
346.15833	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	345.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
58.00585	6.0
58.75285	1.7
59.01377	100.0
61.98824	2.4
69.03448	4.7
71.01378	61.6
71.62595	2.3
72.99294	5.3
83.01366	3.4
85.02945	15.5
87.00870	3.7
89.02441	53.6
95.01391	4.9
96.95980	6.2
97.02951	6.5
99.00882	2.6
101.02431	32.2
109.02943	22.8
109.06583	7.0
111.00771	1.9
113.02456	23.8
119.03498	25.4
121.10230	66.1
122.10510	2.8
127.07650	23.4
129.01924	3.3
131.03540	2.6
134.03746	2.8
134.87793	2.0
135.69958	2.5
141.01909	5.0
143.03532	4.3
144.43851	1.7
149.04489	2.6
149.58995	2.1
151.00366	6.0
151.04045	1.7
152.01158	6.7
153.01949	12.3
161.04559	2.2
165.09190	4.0
171.06633	10.2
179.05582	3.7
255.97630	2.2
301.07236	12.5
345.11423	11.1
345.15512	70.7
345.19742	3.6
346.10486	3.0
346.15771	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
57.03438	4.2
58.00574	4.0
59.01376	93.1
64.66964	1.1
68.99791	1.3
69.03450	9.3
69.55235	4.4
69.55643	4.7
71.01377	66.6
72.99297	5.8
73.02943	7.2
77.00377	1.4
79.95708	1.3
83.01359	8.0
85.02945	21.4
87.00864	3.6
88.34586	1.3
89.02435	52.0
95.01371	5.8
96.96012	4.4
97.02953	9.3
99.00880	4.5
101.02436	45.7
109.06587	9.2
111.00862	2.0
113.02444	24.3
119.03495	24.1
120.99627	2.7
121.10234	11.5
122.03658	2.1
123.04479	1.6
127.07639	45.3
128.07974	1.5
129.01909	3.6
131.03455	2.6
135.04510	2.5
141.01913	9.2
143.03444	2.8
149.04469	1.4
153.05516	1.6
155.03545	1.6
161.04549	3.4
165.09183	13.3
168.20839	1.2
171.06621	14.5
177.12822	2.3
179.03462	1.9
179.05606	2.2
183.10266	3.0
191.05585	3.2
231.10280	3.0
242.88829	1.3
293.10330	4.2
298.22662	1.6
327.08911	3.5
345.11105	12.3
345.15472	100.0
346.15884	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	345.0612
Annotation	5,7,3',4'-Tetrahydroxy-6,5'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01321	0.7
61.98740	0.4
62.31586	0.4
64.33538	0.4
65.00256	4.6
69.27038	3.8
69.27447	1.2
96.99255	0.8
110.00104	4.5
111.00878	3.5
123.00797	2.0
124.01543	1.5
124.67432	0.5
136.98792	7.4
137.99545	0.8
139.00348	3.1
139.03958	0.5
143.04927	0.7
149.02434	7.1
151.00313	1.0
152.01053	1.9
153.01814	1.7
159.04387	1.3
163.00302	1.1
164.98309	4.0
165.99051	6.2
171.04416	1.6
173.02356	1.3
175.03876	1.1
176.01054	0.9
177.01904	3.0
178.99783	1.0
183.04367	0.5
185.02443	0.5
187.04030	2.8
190.99713	0.7
191.03421	1.0
197.02350	0.8
197.36884	0.5
199.04024	2.2
200.01012	0.6
201.01880	2.5
203.03487	2.6
213.01910	0.8
214.02737	0.7
215.03473	16.8
216.03772	1.3
217.01337	1.4
218.02188	0.7
219.02884	1.3
225.02017	0.6
227.03394	2.0
229.01431	3.3
229.04929	0.6
231.02980	3.2
233.04471	0.8
241.01343	1.0
242.02017	0.6
243.02953	13.9
244.03337	0.8
245.00830	1.2
246.05301	0.8
247.02402	1.5
248.03207	0.6
253.01405	0.9
258.05249	2.4
259.02457	3.6
260.02985	0.9
269.00903	4.5
270.01425	0.7
271.02435	2.7
277.07202	0.6
287.01956	21.2
287.05170	1.1
288.02304	1.8
297.00357	5.3
298.00833	0.6
302.04187	0.7
312.02744	1.4
315.01437	39.9
316.01779	4.5
329.03149	0.7
330.03778	67.9
331.04166	7.7
345.06122	100.0
345.22699	1.5
346.06470	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	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80327	0.4
59.01371	2.2
71.01391	0.8
72.72888	0.4
83.61314	0.4
90.28657	0.5
90.77909	0.4
96.96017	1.5
98.19904	1.1
113.08198	0.4
120.99646	100.0
121.99975	1.7
130.08740	0.5
226.58482	0.4
302.11554	0.7
321.02606	0.5
334.79834	0.6
345.09866	2.5
345.22299	1.2
346.10287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29679	0.4
51.30811	0.3
59.01371	1.4
62.28743	0.3
64.19636	0.3
69.35462	0.3
71.01367	0.6
72.71340	0.4
82.69421	0.3
93.03454	0.5
96.96014	3.3
98.95559	0.6
109.02937	0.4
117.84777	0.3
120.99646	100.0
122.00051	1.9
130.08694	0.6
146.22012	0.4
190.62469	0.4
267.06674	0.6
297.11230	1.0
345.10040	2.3
345.14792	0.5
345.22241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.134
Annotation	CHEMBL1668115
Peak:m/z	Relative Intensity
59.01373	8.7
61.98804	0.8
65.00301	0.6
67.01883	0.8
71.01391	3.4
71.30423	0.7
71.30764	0.9
83.01357	0.8
85.02932	0.7
89.02412	1.8
95.01376	2.0
96.95962	1.7
101.02391	1.9
108.02182	2.9
109.02954	5.9
111.00890	3.9
113.02447	0.8
119.03481	0.7
121.02945	0.7
121.10229	2.7
122.03716	2.1
122.99983	0.9
123.00874	13.5
123.04480	2.0
124.00831	0.8
124.01657	12.5
125.02397	0.9
125.86980	0.5
131.05031	0.6
136.01604	1.4
137.02347	0.6
139.00381	1.3
139.07564	0.9
143.04950	0.9
146.03653	1.7
147.04553	3.3
149.06003	1.0
150.03217	7.0
151.03998	35.1
152.01157	0.7
152.04355	1.4
153.01909	0.6
153.11740	0.5
159.04489	1.1
161.02454	0.6
161.06053	5.1
163.03972	2.2
164.04756	2.4
165.01845	1.6
165.05551	8.0
165.09224	4.4
175.03981	6.3
176.04683	0.7
177.05472	1.1
179.07092	4.5
183.10187	2.2
187.03835	0.6
191.07127	0.6
193.05049	11.9
194.05333	0.5
207.06514	1.8
256.03491	0.7
285.07587	1.7
297.07587	3.5
301.10706	1.7
315.08643	1.6
329.10144	1.5
330.11020	21.6
331.11365	3.1
345.13312	100.0
345.22321	6.7
346.13647	15.3
346.20016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1819
Annotation	Val Asp Leu
Peak:m/z	Relative Intensity
59.01371	4.8
68.56348	1.0
68.93628	0.8
70.02977	2.1
74.27064	0.9
80.70729	0.9
81.02190	5.2
82.02980	2.0
82.06628	1.9
85.02937	1.0
87.05630	2.8
95.02566	1.0
96.00909	8.7
96.95996	6.6
98.02469	21.0
98.20683	1.4
108.08213	1.4
109.01672	3.9
113.03534	6.9
114.01965	2.3
115.08744	1.1
116.07163	18.4
120.99641	22.8
124.07690	9.5
125.07205	3.0
125.10826	1.2
125.99573	0.8
126.05612	5.4
126.09272	1.1
130.08731	53.6
131.04604	2.0
131.09053	1.6
134.03709	1.9
135.04550	1.9
138.09232	13.6
139.08730	2.3
140.07159	3.5
140.25504	0.9
141.10252	1.5
149.06065	2.5
149.07169	1.2
152.07159	25.7
153.07593	1.3
154.08669	1.1
161.03568	1.5
163.08630	1.2
164.09569	1.7
166.08696	10.3
168.03287	4.8
168.09071	1.6
168.10352	1.5
168.21870	1.1
169.09792	1.6
183.11420	1.0
183.15053	1.5
185.16624	7.7
204.09077	1.8
211.14488	10.9
213.08801	2.0
219.14987	3.6
219.85873	0.9
221.16545	12.0
222.10104	1.4
229.15561	9.6
246.52234	1.0
247.14435	8.7
248.09258	2.8
249.10023	2.6
264.12442	6.2
265.15479	8.0
283.16623	1.4
309.14526	100.0
310.14883	9.2
326.17169	49.6
327.17334	5.9
344.07980	7.1
344.18216	25.8
345.10001	2.3
345.18674	2.2
351.49683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.8
59.01370	5.3
61.98815	1.9
63.99475	0.9
64.78914	1.1
67.01902	1.1
68.99818	3.0
69.03458	3.3
69.38014	9.5
71.01376	10.0
72.46395	1.1
72.99314	5.3
73.02940	1.2
74.02485	1.1
78.95916	1.6
80.16588	1.1
82.03004	1.4
82.44738	1.1
83.01398	3.6
85.02947	17.3
87.00866	2.3
87.04542	2.8
87.41077	1.1
89.02454	1.7
93.03456	1.4
96.96001	12.4
96.96964	1.3
97.02939	6.2
98.19850	2.3
99.00867	6.0
101.02418	2.0
108.02159	1.5
108.04549	63.7
109.02928	1.6
109.04900	2.5
110.71864	1.3
111.00847	2.6
113.02422	2.2
115.03967	2.6
116.07167	4.4
120.99645	1.5
121.02880	1.3
123.00862	8.8
123.04530	3.2
124.01174	3.5
125.02055	1.4
128.03566	1.4
129.01941	22.7
130.08701	1.6
135.04506	11.0
137.02425	1.9
138.01953	4.1
138.03192	4.6
138.05638	1.3
139.04034	5.8
140.04359	5.2
141.01906	3.1
149.06088	1.2
150.04254	1.5
150.05475	1.6
152.03522	100.0
153.01909	1.8
153.03830	3.5
159.02997	2.9
164.03516	2.9
166.08678	3.1
171.15182	1.4
172.01056	1.3
183.06583	3.0
191.05580	20.7
191.07310	1.2
192.06076	1.3
196.06129	2.7
203.08328	1.9
209.06767	1.3
209.09525	1.1
225.06480	1.2
227.10304	1.1
264.08841	2.0
285.07339	1.5
290.96970	1.6
301.07089	1.3
301.15118	2.2
308.12790	1.4
323.09247	1.1
326.17355	1.3
344.04260	2.3
344.09927	26.8
344.17871	8.9
345.01810	1.1
345.08371	12.9
345.17813	3.2
355.00021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86256	0.8
54.50153	0.9
58.00616	1.1
59.01379	17.0
61.98832	2.4
70.31630	2.3
71.01374	14.5
72.00904	12.3
72.99323	0.9
74.02467	2.8
83.01414	1.3
85.02927	2.4
88.04061	1.7
89.02446	20.4
93.54085	1.0
95.01440	1.1
96.96004	13.0
98.95615	1.5
101.02438	5.0
108.04539	5.6
113.02451	5.2
115.00382	2.3
119.03489	2.9
119.05005	1.5
120.05387	1.1
122.03769	1.3
123.00880	1.2
123.04475	1.0
127.05155	1.3
128.03514	1.6
129.01974	0.9
130.08719	1.2
133.01581	1.5
135.04541	10.0
136.04832	1.1
139.03970	1.0
143.03470	1.1
143.11871	1.8
147.04515	38.9
148.04872	2.1
150.03146	1.1
150.04195	3.6
152.03543	10.1
159.02866	1.0
161.02386	0.9
163.03947	1.1
164.07162	100.0
165.05559	1.7
165.07506	6.6
179.05586	5.0
181.05095	2.7
182.05379	3.6
209.06541	1.2
228.17047	6.0
229.15591	1.7
264.08765	3.0
269.62088	1.1
300.19287	1.1
301.15213	3.5
344.03821	2.0
344.07291	5.2
344.10968	2.0
344.17996	5.7
345.04791	2.5
345.08466	8.2
345.17685	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	343.2486
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01373	1.4
65.00324	1.0
70.51907	1.0
78.97444	0.4
80.88893	0.4
81.16406	0.3
87.55679	0.4
88.67265	0.3
97.06594	0.6
99.08121	0.6
108.73405	0.3
113.09732	1.3
121.10238	8.0
125.09698	1.3
127.11311	2.3
134.75032	0.3
136.98813	1.3
137.09724	1.8
139.11299	2.8
153.09207	0.8
164.98244	0.7
165.09111	0.8
165.65782	0.3
171.10257	61.8
172.10606	3.0
198.03214	1.3
211.13414	0.5
213.05569	1.3
215.03389	0.5
226.02666	3.5
241.05110	1.1
242.02251	1.8
254.02101	0.5
257.04562	0.6
269.04553	0.8
270.01602	2.3
274.01172	0.7
285.04028	6.1
286.04349	0.7
293.21222	6.4
294.21494	0.6
313.00092	0.8
313.03506	5.3
314.03952	0.7
328.05856	20.1
329.06097	2.6
343.08228	16.3
343.24850	100.0
344.08557	2.3
344.25204	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	343.2484
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03438	0.4
59.01366	1.1
59.08264	0.3
68.08350	0.3
69.03448	1.4
83.05019	1.1
91.07614	0.3
96.96014	0.3
97.06575	0.5
99.08141	7.4
103.10878	0.3
119.15550	0.3
121.10242	2.7
125.09727	1.6
127.11258	1.0
137.09705	1.5
139.11290	1.2
149.13303	0.5
151.11197	0.4
153.09146	0.5
165.12778	0.7
171.10252	21.1
172.10587	1.0
175.11287	0.8
183.13907	0.3
193.12318	11.7
194.12674	1.0
197.15463	0.4
211.13373	2.7
225.14935	18.1
226.15338	1.8
229.42249	0.4
243.15988	5.4
244.16266	0.5
282.57968	0.3
285.03784	0.4
289.18091	1.8
293.21167	2.2
311.22214	0.5
313.00137	0.6
323.41776	0.3
325.23853	0.5
328.02191	0.6
328.05859	1.2
329.06299	0.4
343.08310	1.5
343.24838	100.0
344.25189	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	343.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
60.41787	0.4
63.56206	0.3
64.03168	0.4
71.62139	0.5
72.32188	0.3
89.57249	0.3
113.09645	0.3
121.10233	9.8
122.10590	0.6
125.09758	0.8
127.11264	1.9
137.09726	2.0
139.11293	2.7
153.09155	0.9
165.09213	0.6
171.10252	61.3
172.10611	3.4
213.10794	0.3
263.12808	0.6
293.21216	1.3
328.05844	0.5
343.24838	100.0
344.25183	12.8
344.29382	0.6
368.78827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14357	0.3
55.63045	0.4
59.01366	1.0
67.22195	0.3
79.95738	0.4
81.02193	0.5
85.02939	0.4
90.62379	0.3
90.99146	0.4
96.96021	0.5
98.02477	1.4
98.19800	1.3
102.05606	3.0
107.05017	0.4
109.01668	0.4
110.03167	0.4
116.07166	4.5
120.99647	1.4
124.07664	1.1
128.03572	1.0
130.08765	0.5
133.02931	0.6
134.03731	0.9
135.04517	100.0
136.04852	4.8
137.02444	0.5
152.07143	0.4
153.02022	0.4
161.02420	1.6
161.09729	1.2
166.08762	2.4
179.10719	0.5
180.76317	0.4
185.16551	0.7
202.18372	0.3
209.06557	0.4
211.14439	0.5
229.15543	0.6
230.26060	0.4
248.20807	0.4
264.08749	22.0
265.09058	1.6
265.15543	0.7
309.14551	6.4
326.17102	3.0
344.04401	20.7
344.18265	1.3
345.05075	2.2
345.09964	3.3
356.57834	0.4
356.99716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1064
Annotation	CHEMBL460255
Peak:m/z	Relative Intensity
50.37511	0.2
55.01873	0.4
57.03444	0.5
59.01379	3.8
59.58146	0.3
71.01384	1.8
71.63353	0.4
72.99303	0.4
73.01146	0.3
73.02944	0.7
79.95729	2.2
80.96520	1.6
83.01402	0.6
85.02955	1.4
85.34769	0.2
95.95239	0.5
96.96004	74.0
101.02451	1.5
113.02457	0.6
122.97587	0.8
134.58270	0.3
135.04533	0.5
138.97063	1.5
148.05220	0.3
150.97061	1.4
161.02417	0.3
164.98564	0.4
180.98131	1.4
193.25047	0.3
198.99184	0.6
221.66461	0.3
237.31773	0.3
241.00233	3.2
261.98871	0.3
343.10629	100.0
344.11011	9.5
344.15387	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.172
Annotation	alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene
Peak:m/z	Relative Intensity
59.01374	6.0
61.98828	1.2
69.76570	0.4
71.01365	2.5
71.14458	0.8
72.00894	0.4
74.02492	0.6
78.95901	1.4
84.08173	0.4
85.02932	0.5
89.02431	2.0
93.03487	0.5
96.96011	1.3
96.96985	0.6
98.95553	0.5
101.02446	1.7
101.10035	0.4
107.03653	1.4
108.02027	2.7
110.73666	0.4
113.02451	0.8
119.03461	1.0
119.04978	0.8
123.00883	3.2
124.01642	1.8
126.03082	1.1
128.07172	0.6
130.08727	100.0
131.09077	2.2
133.01555	21.9
135.04483	0.4
138.03220	1.4
139.03981	2.3
150.04202	49.8
151.02617	0.4
151.05061	0.5
163.03964	0.8
164.03549	0.6
168.88385	0.4
179.05563	0.8
180.06642	0.6
181.05025	0.5
186.12312	0.4
188.07787	1.1
195.04204	0.5
200.00633	0.4
212.00864	0.6
228.07265	0.7
230.08717	2.2
240.07289	0.7
243.08321	0.6
257.19739	0.6
299.14566	2.4
301.16135	3.8
302.16132	0.6
313.12119	0.4
343.17181	64.4
343.20496	2.3
344.03998	5.3
344.07822	0.8
344.17465	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	343.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37176	0.2
56.51050	0.2
59.01374	80.8
60.01710	0.8
63.86404	0.2
67.92571	0.2
71.12094	0.3
113.04590	0.4
115.02509	0.2
128.09793	0.2
157.03545	7.2
158.03691	0.5
159.01491	2.1
160.01709	0.2
201.02531	100.0
202.02702	10.0
260.95239	0.3
343.03662	3.1
344.03796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0818
Annotation	2798-22-3
Peak:m/z	Relative Intensity
50.13801	0.6
59.01371	3.8
63.02384	2.7
65.00299	1.2
67.10641	0.6
71.61940	0.7
75.00842	0.8
80.24685	0.6
93.03441	2.0
95.01411	0.8
107.01415	1.8
119.01351	2.4
121.02931	2.0
132.02185	1.1
133.02904	1.0
135.00874	11.8
136.96483	1.0
148.01636	1.7
159.34000	0.6
163.00359	47.3
163.04004	2.8
164.00676	2.2
171.10234	0.8
178.88895	0.8
187.04071	1.0
196.05319	1.7
198.03122	3.5
200.04710	1.0
211.03928	2.0
212.04720	1.5
213.01950	1.0
223.03966	1.4
224.04744	2.8
225.05177	0.8
226.02681	0.7
229.01424	1.5
239.03410	2.8
240.04227	4.6
241.04895	1.0
250.02512	1.0
251.03450	3.6
252.04245	1.9
267.02954	4.2
267.06671	1.9
268.03735	28.8
269.04150	3.4
272.03354	0.9
283.06107	19.7
284.06375	2.7
296.03275	11.0
297.03619	1.8
297.97501	1.5
311.05573	100.0
312.05948	10.2
312.99823	1.9
328.02188	3.0
328.05606	0.9
343.04544	3.9
343.08176	37.8
343.21249	2.3
344.08572	5.2
344.17209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10478	0.5
56.06784	0.5
59.01379	9.3
67.15128	0.5
69.82225	1.9
69.82631	1.0
71.01370	2.2
73.02957	0.5
83.01353	1.1
85.02937	1.2
87.00903	0.5
90.62599	0.5
93.03451	1.8
95.01379	7.5
100.46300	0.5
101.02433	1.5
106.09493	0.5
107.05040	0.9
108.02163	0.8
109.02931	1.1
111.00913	1.1
113.02470	0.8
119.05038	2.0
121.02972	5.2
122.03719	0.7
123.00879	100.0
124.01675	48.3
125.02023	1.5
135.04547	3.5
136.01633	0.6
137.02464	1.9
137.06082	1.0
138.03223	49.9
139.00391	1.2
139.04007	87.5
140.04356	3.8
149.02464	1.3
150.03232	1.1
151.00462	0.6
151.04013	1.1
161.04559	1.5
163.04068	1.2
165.01973	1.9
166.02762	1.9
177.99564	0.4
178.02711	0.6
179.03563	0.7
181.05026	5.6
193.05067	1.7
197.04556	0.8
203.05618	0.7
224.44574	0.5
264.08899	0.6
283.08469	1.4
301.09387	0.5
328.07950	0.6
343.10309	6.7
343.20038	0.6
344.04593	0.5
344.10925	0.7
352.12775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91246	0.3
55.80369	0.4
57.03453	0.5
59.01365	1.3
59.93101	0.3
68.34684	0.4
69.03460	0.7
69.90368	0.6
69.90780	1.4
70.59494	0.4
71.01364	0.9
72.99309	0.5
79.95736	2.3
80.96527	1.0
83.01392	0.4
85.02962	1.3
85.43610	0.4
87.00887	0.4
95.05029	0.7
96.96001	5.2
99.00906	0.7
101.02458	0.5
105.03459	0.5
107.05096	0.6
109.02958	1.2
111.00896	1.1
121.02985	0.6
122.03722	0.9
123.04536	1.1
123.08468	0.4
129.01912	2.7
130.08739	0.7
131.09111	0.8
132.09271	0.4
133.02954	1.5
134.03726	7.4
135.04515	20.6
135.08014	0.4
136.03952	0.6
136.04906	0.8
137.02406	0.7
138.97095	0.4
147.04526	9.0
148.05292	59.0
149.06006	4.7
150.03206	0.7
150.05565	0.6
154.53404	0.4
160.03998	0.4
161.02434	1.7
162.03139	0.7
162.05621	0.8
162.06854	4.4
163.06357	1.0
171.10272	1.8
172.88789	0.4
175.02676	0.4
175.04041	0.5
176.03510	6.9
177.04292	4.1
178.05074	38.7
179.05431	2.4
189.04318	1.0
190.05074	17.4
191.05583	2.8
192.06676	3.2
193.07108	0.4
199.14078	0.3
204.06604	1.7
229.14316	1.8
232.45349	0.3
235.17000	1.2
238.98624	1.1
240.04283	1.7
241.00259	0.8
246.08400	3.7
246.58495	1.6
255.06862	0.4
256.99744	1.9
259.08502	0.4
283.09631	2.0
284.10321	0.5
299.05569	1.6
311.83069	0.4
326.02820	0.5
326.10278	1.0
327.11060	12.9
328.11475	1.6
342.13412	100.0
343.13815	11.4
343.21051	7.6
353.59695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89595	0.5
59.01363	0.9
69.03441	1.8
71.09094	1.1
83.05021	0.9
84.02163	6.7
85.14255	0.5
89.65170	0.5
92.57690	0.5
97.02931	1.9
97.06583	8.9
99.04505	2.1
111.08173	0.7
119.08595	0.7
125.09625	0.8
135.08159	0.5
137.09700	1.6
146.76921	0.5
165.12830	1.0
167.69801	0.5
171.10254	17.5
172.10565	0.7
175.11337	1.2
177.12817	0.6
179.50468	0.5
183.13875	1.9
193.12300	12.8
194.12712	0.9
211.13347	3.1
221.11800	0.8
225.12718	0.9
225.14943	18.0
226.02638	0.6
226.15268	0.9
233.15338	0.5
241.94405	0.5
243.15993	7.3
253.14375	0.7
254.02122	1.4
282.01660	1.7
291.19617	1.3
297.04050	1.2
301.54486	0.6
323.21951	0.6
341.02927	2.6
341.23285	100.0
342.13565	1.1
342.23633	12.1
354.92334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2692
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
57.03451	0.6
59.01361	2.4
61.98820	0.8
70.26458	2.0
71.01403	0.9
80.40675	0.6
96.19302	0.5
97.04300	0.5
98.20504	0.8
101.02441	0.7
125.80079	0.6
133.46031	0.5
179.05620	0.8
258.35794	0.6
277.25244	0.9
279.26907	63.0
280.27234	8.0
297.27954	1.9
323.25879	20.0
324.26337	2.2
341.26926	100.0
342.27255	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	342.1342
Annotation	N-cis-Feruloyldopamine
Peak:m/z	Relative Intensity
57.03439	0.6
58.00200	0.4
59.01359	0.6
67.01857	0.3
69.03429	0.5
69.29937	3.2
71.01373	1.2
72.99300	0.7
73.02946	0.4
74.27847	0.3
76.83793	0.4
79.95731	2.2
80.96507	0.8
83.01389	0.3
83.35142	0.4
85.02952	1.7
87.00866	0.6
91.05501	0.4
95.95210	0.4
96.96003	5.3
97.02948	0.8
99.00836	0.5
101.02403	0.3
101.48524	0.3
105.03465	0.8
107.05009	0.7
109.02942	1.2
111.00865	1.4
117.03442	0.4
119.05028	0.5
121.02956	0.6
122.03725	1.0
123.04520	1.0
124.01641	0.7
129.01944	1.6
133.02940	2.1
134.03720	7.3
135.04515	26.9
136.03987	1.2
136.04890	1.1
137.02446	0.8
147.03317	0.8
147.04504	13.1
148.05289	76.2
149.04710	0.6
149.05859	4.9
150.03255	0.6
150.05540	1.0
159.02992	0.6
159.04402	0.6
160.04001	0.8
161.02428	2.6
162.03123	0.5
162.05608	0.7
162.06833	5.1
163.06366	1.3
166.08762	0.5
170.92163	0.3
175.02745	1.0
176.03516	7.0
177.04292	5.3
178.05074	47.8
179.05431	2.6
186.75317	0.4
189.04332	1.2
190.05074	23.7
191.05504	2.2
192.06673	3.5
193.07021	0.4
202.05121	0.7
204.06573	1.9
207.04189	0.4
235.16974	0.7
238.98608	1.3
241.00107	0.6
246.08311	3.4
246.58453	1.2
247.08861	0.4
256.99689	2.6
283.09683	2.0
284.10406	0.4
326.10342	1.5
327.11072	17.7
328.02307	0.4
328.11499	2.0
328.42267	0.4
342.13449	100.0
342.61761	1.2
343.13794	12.9
343.20514	2.1
353.48853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06789	1.5
55.01868	2.2
56.34235	1.5
57.03432	7.3
59.01374	16.7
69.03443	5.7
71.01373	13.5
71.05019	3.9
72.99316	3.5
73.02933	3.5
79.95729	43.7
80.02672	3.0
80.96502	4.8
81.03455	9.2
83.01385	14.6
83.05016	16.6
84.02169	1.7
85.02943	14.5
87.00859	2.9
87.04504	10.7
89.02435	4.3
91.68850	1.5
93.03423	2.5
95.01357	2.2
95.05025	8.5
96.95999	26.1
97.02942	8.1
97.06551	4.6
98.03718	1.8
99.00845	2.2
99.04501	4.6
99.44161	1.8
101.02430	5.9
108.02181	1.4
109.06585	28.0
110.03722	2.2
111.00859	4.2
111.04496	4.3
111.08101	1.7
113.02448	3.3
113.06068	3.9
115.03970	2.4
121.06558	3.2
123.04501	2.9
123.08131	5.0
125.06065	6.0
125.09705	18.6
126.09994	1.7
129.01926	5.1
134.03745	1.5
135.04501	2.8
135.08119	4.3
137.06061	1.9
137.09718	7.8
138.97021	2.0
141.01863	2.3
141.12872	2.3
148.05275	4.4
149.09724	2.0
159.02913	1.5
163.11346	9.4
165.12831	4.8
167.10750	2.4
170.10303	1.5
171.10226	5.4
179.05614	1.6
185.11823	24.1
189.12801	2.2
191.05550	3.0
191.10760	3.8
191.14404	21.1
197.11807	5.4
203.14407	2.4
209.11809	100.0
210.12196	6.8
211.13367	6.5
217.12308	5.8
221.11783	4.0
223.13373	13.7
224.13728	1.8
227.12836	6.6
235.13374	77.2
236.13673	8.1
237.14854	3.9
238.98631	2.8
239.12775	3.0
241.00179	2.2
241.14363	2.2
243.17645	2.2
246.08351	34.0
247.13324	13.3
249.14958	3.8
251.12834	3.2
253.14412	18.3
254.14590	1.5
255.45990	1.4
256.99728	5.4
265.14441	24.0
266.14749	2.7
287.16574	4.2
297.03732	2.1
299.00760	2.9
302.11795	1.5
302.92007	1.6
305.17538	12.5
317.09631	1.6
323.18564	19.2
324.18927	2.3
341.10620	3.9
341.19629	97.3
342.11264	19.4
342.20001	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03439	2.4
58.00593	4.4
59.01375	100.0
60.01718	1.4
61.98822	1.7
69.55242	4.5
69.55653	1.9
69.65734	1.0
71.01376	77.5
72.01717	1.6
72.99294	4.8
73.02937	4.5
73.30536	0.9
75.00856	2.2
78.95918	3.4
83.01389	3.6
85.02941	12.7
87.00858	6.0
89.02437	84.9
90.02802	1.3
93.03445	9.0
93.03913	0.9
95.01380	4.7
95.86856	1.1
96.49873	0.8
96.96033	3.4
96.96959	2.3
97.02979	1.3
98.19940	2.0
99.00902	1.6
101.02437	39.9
107.03398	0.8
113.02439	31.3
114.02043	0.9
119.03493	32.1
119.04304	1.8
125.02517	1.3
131.03508	4.2
133.03023	1.0
135.04503	12.7
137.02417	12.5
143.03473	9.5
149.04558	3.6
161.02483	4.7
161.04546	13.5
169.97250	1.0
179.03535	10.6
179.05629	36.8
179.07181	1.8
180.06403	1.2
221.06674	2.8
226.11928	1.4
230.86368	1.0
314.90509	1.1
341.10931	45.5
342.11462	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.0
58.20039	0.8
59.01375	69.5
71.01379	30.6
71.62708	1.5
72.99268	1.6
73.02943	27.4
73.07919	0.8
75.00854	1.0
83.01384	4.3
85.02940	7.8
89.02441	14.9
93.03449	48.3
94.03791	2.2
95.01388	2.5
96.95992	3.6
97.02898	1.2
99.00858	1.1
101.01776	1.4
101.02433	22.5
113.02442	19.2
119.03602	5.0
119.05011	30.5
131.03482	2.2
133.76363	0.9
134.03711	2.6
135.04514	67.1
136.04836	4.3
136.29945	1.0
137.02432	100.0
137.06013	1.7
138.02760	4.3
143.03490	1.9
155.03514	1.0
161.04488	3.1
174.72028	1.1
175.99007	0.9
177.40950	1.0
179.03477	68.7
179.98511	0.9
180.03793	2.9
263.54684	1.0
281.10284	11.5
299.11340	3.4
341.08633	13.6
341.12393	1.4
342.09149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.0
65.33190	0.6
71.01376	2.3
71.13634	1.0
74.10351	0.5
78.13461	0.5
79.95736	2.5
80.96494	1.0
85.02961	0.9
87.00894	0.5
89.02438	1.9
96.96002	84.2
101.02442	0.9
113.02438	1.4
116.07167	1.2
135.04527	0.7
147.04488	0.6
148.05269	2.4
152.01128	0.9
152.99593	0.6
157.57526	0.5
178.05066	1.9
179.05682	0.5
190.05026	0.8
210.86116	0.6
241.00140	0.7
270.11288	0.6
286.99808	0.5
311.08267	0.7
327.11221	0.6
340.57947	1.1
341.09055	100.0
342.09409	6.8
342.13492	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	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
53.70670	0.9
55.01877	1.2
55.58182	0.9
56.45055	0.9
57.03436	2.4
58.00585	3.1
59.01376	100.0
60.01707	1.6
66.15911	0.9
71.01378	78.2
71.61084	1.8
72.01718	1.3
72.99298	3.7
73.02948	4.7
75.00863	2.3
76.21291	1.3
78.07034	0.8
78.95903	1.8
83.01384	2.9
85.02947	12.2
87.00876	5.9
89.02438	86.0
90.02783	1.4
93.03465	1.7
95.01385	3.5
96.95987	1.6
96.96960	4.9
97.02956	1.6
99.36559	0.9
101.02437	40.8
104.22609	0.8
106.50143	1.0
107.03528	1.2
107.93541	1.2
113.02447	29.2
116.62965	0.8
119.03497	31.0
120.03821	1.0
125.02411	1.2
131.03506	4.7
135.04453	4.6
137.02452	1.1
143.03490	8.4
149.04529	6.9
161.02388	2.8
161.04549	12.5
178.80878	0.9
179.03423	1.9
179.03725	2.0
179.05591	38.8
180.05920	1.3
182.35901	0.9
208.08028	0.9
216.35220	1.0
251.85538	0.9
269.10715	1.0
269.69736	0.9
284.32373	0.9
341.10892	50.5
342.11075	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	341.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22291	0.4
54.71534	0.5
55.01867	0.4
59.01377	1.7
64.14898	0.4
68.11346	0.4
68.25539	0.4
71.01374	2.5
73.73375	0.4
74.43299	0.4
74.57178	0.4
75.00842	0.5
79.95736	6.0
80.96518	2.6
83.01411	0.7
85.02950	1.3
87.00850	0.7
89.02506	0.5
95.95245	1.9
96.96006	81.8
97.95968	0.4
101.02443	1.9
108.19425	0.4
113.02400	0.6
122.97532	0.7
137.96318	0.7
138.97072	2.4
144.37498	0.5
150.97012	1.3
164.98631	0.5
177.04021	3.0
180.98085	0.5
211.77020	0.5
226.89183	0.4
241.00211	4.4
256.59500	0.4
256.99695	2.3
341.09070	100.0
342.09396	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	341.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14435	0.6
57.03448	1.6
58.00592	0.6
59.01376	10.8
70.05486	2.7
71.01372	7.3
72.99290	0.8
73.02939	2.4
75.00868	2.1
79.95731	13.2
79.96181	0.9
80.96513	15.0
83.01382	3.2
85.02946	3.8
87.00872	5.4
89.02433	3.2
94.98083	0.8
95.01399	0.6
95.82258	0.6
96.96004	65.0
98.19941	1.0
99.00867	3.0
101.02431	4.9
102.98602	1.1
104.70564	0.6
111.00870	13.7
113.02429	2.7
115.00350	1.1
119.05006	2.0
120.96034	1.4
127.00381	1.6
129.01930	8.4
134.03745	3.1
136.95517	1.1
138.97058	5.2
154.96532	1.4
159.02972	3.1
162.64267	0.6
165.04092	3.4
166.96567	0.8
177.04039	1.2
193.05040	2.1
210.99200	1.5
238.98639	16.0
241.00185	9.7
256.99707	39.5
257.99982	3.2
281.10190	0.8
303.76364	0.6
341.09058	100.0
342.09174	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	341.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80059	0.6
59.01378	3.4
65.27547	0.6
71.01376	3.2
72.99302	0.8
79.95732	15.6
80.96510	6.8
83.01367	1.2
84.50956	0.6
85.02946	1.7
87.00854	1.9
89.02432	1.0
96.96001	88.6
99.00875	1.5
99.72644	0.6
101.02431	2.9
102.98590	3.8
111.00854	1.9
113.02451	1.5
115.00356	0.6
121.02983	1.1
129.01920	0.8
130.08705	2.2
134.03714	1.9
135.04500	3.0
137.96225	1.2
138.97066	4.4
146.03670	0.6
147.04475	1.6
148.05290	8.7
149.02454	1.1
149.06099	1.1
150.97072	1.6
162.06856	0.8
165.03665	0.6
166.96510	0.6
167.03543	0.7
176.03526	0.9
177.04256	0.6
178.05069	4.8
190.05104	1.8
193.53394	0.6
202.84723	0.6
229.09467	0.6
238.98625	3.4
241.00201	8.1
246.24400	0.5
256.99747	6.8
282.08990	0.6
327.11099	2.5
341.09067	100.0
342.09424	8.6
342.13464	13.1
342.23889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.00593	0.3
59.01382	3.8
65.03944	0.4
69.56218	0.7
69.56620	1.9
71.01375	2.5
75.00855	1.0
79.95739	0.5
85.02943	0.9
87.00861	1.0
89.02447	1.4
93.03450	72.5
94.03788	2.3
96.96005	4.2
99.00890	0.5
101.02446	1.0
113.02448	0.5
114.05589	0.6
115.92073	0.4
116.98499	0.4
117.03447	0.4
119.05003	0.6
134.03746	3.1
135.04512	2.8
136.01672	0.3
137.02432	100.0
138.02771	3.9
149.06097	0.3
161.02437	0.8
167.07207	0.3
177.04036	0.6
179.03482	3.4
179.05717	0.4
179.07130	0.8
187.82040	0.3
193.05064	2.9
195.05121	1.4
205.11819	0.3
217.89474	0.3
298.14166	0.5
341.08664	5.3
341.12271	1.2
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	Chaenorrhinoside
Peak:m/z	Relative Intensity
54.23725	0.2
54.52814	0.2
54.79455	0.2
54.86686	0.2
59.01367	2.8
69.49751	0.2
69.82034	0.5
69.82440	0.6
71.01378	1.3
73.02944	0.6
81.03477	0.3
85.02953	0.2
89.02460	0.7
93.03452	2.2
96.96032	0.4
101.02436	0.8
108.02177	0.8
109.02949	0.6
113.02487	0.4
119.03539	0.3
119.05025	0.7
135.04521	4.0
136.01659	1.9
137.02431	100.0
138.02765	4.4
179.03487	4.0
180.03905	0.2
214.33511	0.2
218.98907	0.2
242.71478	0.2
299.11368	0.3
341.08688	7.6
342.09055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94759	0.4
59.01377	3.8
69.49979	2.9
71.01380	3.1
72.99313	0.4
79.95728	3.3
80.96512	1.8
85.02921	1.0
89.02444	1.1
95.95233	1.4
96.96003	80.2
101.02442	1.7
113.02417	1.1
122.97568	1.4
138.97046	1.4
141.61951	0.3
150.97063	1.1
164.98570	0.6
172.78027	0.4
177.03983	0.4
180.98117	1.0
241.00233	3.7
341.09052	100.0
342.09375	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	341.03
Annotation	Scapaniapyrone A
Peak:m/z	Relative Intensity
56.49609	2.3
59.01385	13.5
65.92633	2.7
69.03448	2.9
70.84012	2.2
71.01370	8.7
71.62080	2.5
71.62445	3.3
78.06098	2.4
83.33444	2.2
84.02165	13.8
89.02419	6.4
96.95977	2.5
97.02956	6.2
97.06595	2.9
99.04502	3.6
101.02423	2.1
119.03492	3.7
119.04994	3.1
121.54713	2.6
125.09666	2.7
131.11946	2.7
137.09715	4.3
148.01550	2.8
148.05295	5.8
148.06470	2.0
171.10265	45.9
172.01698	11.6
178.05096	3.2
179.05579	3.9
187.03992	11.0
198.03165	10.8
210.03090	3.5
214.02675	7.4
226.02696	20.0
237.01962	2.3
238.02644	7.9
252.00548	13.0
253.01369	23.1
254.02162	64.5
255.02702	6.4
269.04517	5.6
281.00876	9.6
282.01669	91.6
283.02219	10.6
283.05780	2.2
297.04001	71.1
298.04395	7.6
307.99496	6.4
322.98431	3.5
323.01950	34.5
324.02286	4.7
341.02985	98.4
341.10995	4.2
341.19171	4.9
341.23270	100.0
342.03098	11.2
342.13330	11.2
342.23633	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	341.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99599	16.0
59.01377	4.1
59.77608	0.3
62.84551	0.3
69.56749	0.3
71.01383	1.5
71.62629	0.4
73.02895	0.3
74.99106	2.4
79.95747	2.5
80.96516	1.1
83.01385	0.5
85.02959	0.7
89.02441	1.3
91.30062	0.4
92.71177	0.3
96.96003	15.8
101.02430	0.6
102.98593	100.0
103.98932	1.4
109.02940	0.5
111.00914	0.4
113.02454	0.7
119.03554	0.5
120.23077	0.3
120.99640	3.8
121.02968	0.7
122.03727	0.4
130.08730	1.4
133.02928	1.2
134.03746	1.8
135.04515	5.2
137.02455	0.3
138.97092	0.8
147.04480	2.4
148.05298	12.9
149.02478	0.8
149.06079	0.9
150.03197	3.5
162.03215	3.8
162.05602	0.5
162.06790	0.7
163.00726	3.5
163.06331	0.4
165.05534	2.1
167.03528	0.5
176.03514	1.5
177.04236	1.0
177.05554	1.9
178.00941	0.4
178.05084	7.7
179.05598	0.5
179.93411	0.3
183.71477	0.3
190.05101	3.8
192.06671	0.6
204.06572	0.4
214.94702	0.3
238.98558	0.6
241.00224	1.6
256.99622	1.2
267.06573	0.7
282.08862	0.6
283.09781	0.5
327.11069	3.2
341.09067	19.3
342.09613	1.9
342.13397	24.5
342.23950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1294
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01875	3.8
57.03432	2.7
58.00586	1.1
59.01378	30.0
61.29810	0.6
61.98796	0.7
65.25699	0.7
69.03449	1.0
70.18506	2.8
70.18937	0.5
71.01378	32.9
72.01714	0.7
72.99284	2.0
73.02946	23.6
75.00863	1.5
78.95905	2.7
83.01384	9.4
85.02947	19.3
86.00094	0.8
87.00867	3.4
89.02442	8.8
95.01376	2.5
96.96037	1.4
97.02957	2.3
99.00881	8.6
101.02439	47.2
102.02793	1.0
111.00870	1.8
113.02441	18.0
115.04020	1.8
119.03486	1.4
125.02438	2.7
129.01912	1.2
131.03494	2.4
143.03462	1.5
149.04543	0.8
159.02969	2.8
161.04555	13.6
177.01913	4.1
177.03392	0.5
180.04585	0.7
204.38693	0.6
207.08717	100.0
208.09120	4.9
233.06656	2.0
246.61150	0.8
251.07605	0.9
339.12930	79.5
340.13303	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1995
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
54.34665	0.2
63.05953	0.2
69.57659	1.2
79.95689	1.1
93.89811	0.2
99.69366	0.2
119.05035	1.3
123.75886	0.2
163.11279	0.6
170.00400	1.8
183.01195	50.2
184.01648	3.7
197.02739	1.9
198.03494	0.3
211.04266	0.3
216.00957	0.8
225.05882	1.1
239.07529	1.1
253.09044	0.4
339.19949	100.0
340.20251	11.8
352.49231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2325
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
53.76425	0.4
58.98203	0.4
70.36964	1.8
71.29060	0.6
93.14663	0.4
98.19970	0.6
114.22617	0.5
158.97154	0.6
163.11272	82.8
164.11545	4.0
174.57280	0.5
174.91449	0.5
339.23242	100.0
340.23575	14.3
358.65152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01720	1.6
67.91586	0.3
69.30309	3.4
153.05989	0.4
153.31731	0.3
165.27524	0.4
176.91508	0.4
183.01170	0.5
219.14702	0.4
219.61850	0.4
245.67439	0.3
251.23795	0.5
279.23254	6.3
280.23477	0.9
297.24313	41.6
298.24628	4.5
339.20923	0.5
339.25336	15.3
340.25714	2.5
350.17859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00784	0.2
58.02966	1.0
71.08461	0.6
79.05521	1.2
80.05061	0.3
96.96023	0.4
103.60567	0.3
109.95699	0.2
128.10825	3.9
130.08737	100.0
131.09096	3.5
145.02948	0.5
146.03722	2.0
147.11792	0.8
158.03729	0.4
159.04514	0.6
161.06076	0.4
165.12827	0.3
171.46159	0.3
250.48149	0.2
260.20200	1.7
267.06546	0.4
281.08054	0.4
282.96408	0.3
297.11212	1.4
322.20160	0.4
340.21249	60.0
341.21591	7.7
346.65881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00455	0.1
58.02964	0.7
59.01372	0.8
61.04184	0.2
61.33443	0.2
71.01374	0.3
75.91200	0.2
79.05527	0.3
79.95733	0.2
85.72752	0.1
86.58112	0.1
89.02464	0.4
96.95998	0.4
97.90456	0.2
98.19865	0.4
98.48689	0.2
101.02392	0.3
125.30584	0.2
128.10802	3.0
130.08727	100.0
131.08189	0.3
131.09074	4.3
147.11781	0.3
151.11244	0.2
154.12364	0.2
165.12811	1.2
171.10278	0.2
179.05550	0.3
248.20238	0.3
260.20114	0.5
297.98785	0.2
310.07794	0.2
336.94662	0.2
340.21222	63.2
341.10727	0.6
341.21606	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	339.0717
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
59.01373	1.2
65.10533	0.2
66.88504	0.2
69.38920	1.4
71.01381	0.3
74.99106	0.2
81.03436	0.4
89.02419	0.4
89.03966	1.9
93.03408	0.2
95.05111	0.2
95.71149	0.2
96.00867	0.2
96.96019	0.2
98.19812	0.2
104.02663	0.7
105.03447	3.2
130.74821	0.2
133.02951	9.0
134.03267	0.5
135.04562	0.3
148.01675	0.5
149.02415	0.9
176.01137	1.8
177.01910	100.0
178.02249	5.9
249.79836	0.2
263.07999	0.2
339.07175	13.7
340.07587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01366	1.4
65.00341	0.6
65.03954	1.3
67.01870	0.8
68.99806	0.5
69.03436	0.9
69.31151	3.2
71.01352	0.6
80.02672	0.4
91.01887	48.7
92.02243	1.7
96.96006	0.7
108.02177	1.1
109.02197	0.8
109.02950	14.4
110.03283	0.4
113.02486	0.5
120.04547	6.1
121.02918	1.1
123.04506	0.9
133.02931	1.5
135.00876	100.0
136.01134	3.9
137.02451	2.9
138.19249	0.3
148.01601	0.5
149.02399	0.9
153.01929	57.5
154.02295	2.2
161.02438	1.9
174.09229	0.5
177.01923	1.6
189.01947	1.7
207.33730	0.4
256.99783	0.5
279.04968	1.1
295.14572	1.6
297.06104	1.2
309.07651	0.5
339.07162	28.3
339.13290	7.0
340.07611	3.6
340.13983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52737	0.7
57.03463	0.7
59.01374	30.0
71.01376	4.2
73.02930	1.2
83.01357	1.3
85.02946	2.1
86.00078	0.9
87.00871	6.1
90.65044	0.6
96.96002	5.6
96.96542	0.9
98.20667	1.0
99.00910	1.2
100.01804	0.6
101.02446	2.0
103.03871	0.7
103.33393	0.7
105.03400	0.6
113.02428	1.1
121.02950	6.1
126.71628	0.7
133.02971	0.9
134.03732	8.6
135.04515	100.0
136.04861	6.3
137.02484	0.9
149.06087	4.0
160.01649	5.8
161.02470	0.8
161.04530	2.4
175.04028	6.0
178.02692	2.9
193.05020	11.2
194.05409	1.0
195.22392	0.8
207.06601	2.3
207.08569	0.7
213.06049	0.8
213.56197	1.7
265.07156	6.9
266.07806	0.8
293.62149	0.7
297.09805	4.8
339.07422	0.8
339.10767	4.5
340.11337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01099	4.8
59.01374	68.4
61.98805	5.9
69.32646	30.4
69.33051	8.8
70.51819	3.7
86.57277	4.3
87.56730	4.1
96.44485	4.4
96.95999	6.1
122.66082	4.3
123.20786	4.1
128.55766	4.9
133.04672	4.8
142.95363	3.8
175.05487	4.5
196.37169	4.2
255.23247	14.6
277.21661	17.7
337.18430	13.1
337.23779	100.0
337.27753	5.5
338.24084	12.1
357.98196	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	337.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38822	1.4
58.90233	1.4
59.01373	22.8
60.99667	1.4
68.99567	2.3
69.58900	8.9
96.96008	16.1
98.19719	1.4
102.54402	1.4
108.04188	1.3
112.98552	4.4
135.86771	1.8
151.82982	1.6
158.81898	1.7
237.87642	1.4
246.85481	1.8
253.25374	3.0
255.23276	100.0
256.23630	10.7
299.25870	4.3
337.20404	17.6
337.23682	19.5
338.24072	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	337.2382
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
51.83252	0.8
59.01377	7.0
66.37583	0.8
66.52139	0.8
71.63213	1.1
77.99976	0.8
81.07394	0.8
87.87801	1.0
91.06693	0.8
96.95957	0.9
114.05126	0.7
116.56258	0.8
136.04524	0.9
255.23218	3.2
277.21790	2.0
305.21133	6.3
337.18921	3.3
337.23801	100.0
338.24161	14.6
349.58978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2382
Annotation	11-deoxy-PGE1
Peak:m/z	Relative Intensity
52.98656	0.4
59.01376	2.6
69.54957	2.9
78.95863	0.5
83.04992	0.4
85.06587	2.1
98.20635	0.4
99.24939	0.4
110.73463	0.4
127.11241	0.5
130.53798	0.4
135.86771	0.4
141.92581	0.4
165.12801	1.2
171.10262	13.2
251.16486	13.3
252.16791	1.4
279.58820	0.4
319.22736	5.4
335.22202	1.0
337.23795	100.0
338.24136	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	338.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
57.61531	0.2
58.02973	2.4
59.01365	0.6
69.03456	0.3
69.88866	1.1
79.95736	0.3
82.09205	0.2
85.02958	0.4
96.96008	0.8
98.20573	0.6
115.34056	0.3
119.04219	0.3
128.10803	12.1
129.11160	0.6
130.08728	100.0
131.09074	3.3
139.18100	0.3
143.54593	0.3
147.08150	0.8
172.09778	6.8
173.10193	0.3
175.83075	0.2
221.96204	0.3
337.61560	0.3
338.19687	50.3
339.20023	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	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51550	0.5
58.59177	0.5
59.01376	100.0
60.01710	1.6
65.46709	0.5
87.00878	0.7
90.98575	0.9
96.09352	0.5
96.95985	3.6
99.00898	0.7
100.49253	0.6
113.02462	0.5
145.08714	0.8
172.36354	0.5
179.00281	0.7
187.08121	0.6
231.06750	0.6
337.09665	1.7
337.14127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86398	0.9
55.01868	1.6
57.03450	1.2
58.00584	3.9
59.01376	81.9
60.01683	1.0
64.31985	0.7
71.01379	43.0
71.28672	1.4
72.99299	3.1
73.02978	1.8
79.95750	1.2
83.01366	2.8
85.02941	10.4
87.00879	3.0
89.02439	40.3
93.20898	0.8
95.01372	4.9
96.96002	2.0
99.00872	2.0
101.02436	29.0
109.02906	1.6
113.02441	15.3
115.00371	1.3
119.03493	21.7
120.59660	0.8
120.99662	1.7
122.99226	1.5
131.03468	2.0
133.03027	0.8
135.04475	1.0
143.03473	1.6
149.04930	1.1
149.06055	7.4
157.08693	1.2
161.02467	1.8
161.04581	2.1
161.05920	0.9
172.43178	0.8
177.01801	1.7
179.05600	2.7
193.04875	1.1
219.02885	1.4
233.04460	1.0
237.04027	3.0
245.22003	0.9
293.06683	1.4
333.55698	0.9
337.14999	100.0
338.15363	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	337.069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97249	2.6
51.63905	2.4
56.69905	2.3
57.03439	7.5
59.01373	47.2
61.98834	4.1
69.03433	4.1
71.01370	20.4
71.61867	3.7
72.99313	8.5
73.02938	4.3
74.02470	5.3
74.99103	9.6
75.00871	18.8
78.95901	20.4
79.82938	2.4
83.01380	6.5
83.05012	18.9
85.02953	30.9
87.00867	15.2
87.04507	92.4
88.04865	5.0
89.02456	11.7
93.03431	16.5
95.01382	8.8
96.96022	15.9
96.96979	5.2
97.02930	6.1
99.00871	15.8
101.02429	7.2
101.06065	12.4
108.02188	3.0
109.02927	5.1
110.98469	3.1
111.00861	2.7
111.01190	3.2
111.01981	38.1
113.02449	31.5
113.06076	5.5
113.99609	7.3
115.00397	7.6
115.04028	4.8
119.03487	4.9
121.02853	2.6
129.01938	8.0
132.05614	2.5
136.99129	3.8
137.02409	25.6
139.04001	52.9
145.04019	4.4
145.05054	33.3
145.30894	2.8
153.01924	10.8
174.01672	6.3
175.00211	3.3
175.02379	4.5
187.10762	3.7
191.05536	7.2
209.06688	7.2
211.00151	5.7
217.11847	3.1
242.46959	2.8
249.06110	8.4
277.05637	6.3
301.09180	11.0
319.10324	3.7
325.94778	2.7
331.53244	3.0
337.04596	6.6
337.07657	29.5
337.11383	100.0
337.14944	7.3
338.08157	4.6
338.11981	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	337.1079
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
50.23710	0.6
54.98528	0.8
57.04317	0.6
59.01382	5.5
64.07890	0.6
64.11427	0.6
71.30068	1.1
71.30412	0.8
85.02969	0.6
95.01371	0.6
100.97561	0.7
127.04596	0.6
133.02939	0.8
145.02951	1.5
157.03001	0.9
160.01707	0.6
161.02458	1.1
162.03214	1.1
169.06621	0.7
170.03728	0.7
177.05548	4.7
195.08151	2.2
205.06602	1.0
206.07327	1.9
207.08134	6.7
208.05209	0.7
209.05991	1.1
217.06560	1.1
221.06001	1.1
222.06822	1.6
222.34315	0.6
223.07564	4.6
225.05673	0.7
233.06029	2.5
234.06781	4.2
235.03975	1.6
235.07582	13.4
236.04697	1.1
236.08017	1.2
237.05550	2.3
249.05527	1.5
250.06302	1.8
251.07120	12.4
252.07246	0.9
254.85513	0.8
261.05530	2.2
262.06308	1.9
263.07086	8.1
265.08560	0.7
266.09518	5.8
267.09625	0.7
278.05811	2.9
279.06598	84.0
280.06894	9.5
289.04938	1.1
290.05731	2.1
291.06616	35.6
292.07269	12.9
293.08112	3.4
294.08994	8.1
301.89508	0.7
305.08176	4.7
306.05792	0.8
306.08911	27.4
307.06110	100.0
307.09491	8.7
308.06464	13.1
308.09982	0.8
321.07614	16.3
322.08411	54.1
323.08795	6.9
337.10782	68.5
338.11160	9.4
338.17221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.8
59.01093	0.9
59.01375	14.3
70.08218	1.3
70.08605	1.7
71.01379	11.1
72.99300	4.3
73.02946	1.2
75.00864	14.5
81.03443	0.7
83.01418	1.0
83.05007	1.5
85.02946	14.0
87.00864	6.0
87.04506	100.0
88.04841	2.1
89.02429	3.2
95.01373	3.2
99.00872	7.8
101.06061	1.0
103.00361	1.8
109.89922	0.9
113.02441	18.9
115.00337	1.4
117.01942	2.2
129.01921	1.7
145.05058	2.5
175.02484	2.3
201.10075	0.9
225.31310	0.8
231.05072	1.0
249.06123	13.8
319.10239	2.7
337.11356	70.0
338.11676	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	337.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	81.6
59.04524	2.1
59.76288	1.9
61.98820	3.9
62.09163	2.1
71.01388	19.5
71.62167	2.1
72.99299	3.0
74.99106	2.6
75.00888	3.3
78.75002	2.2
79.95761	3.3
83.01409	2.3
85.02931	9.2
87.00904	2.8
87.04512	15.0
89.02436	7.5
92.21745	2.1
94.02977	30.4
96.04549	11.7
96.96040	5.3
99.00900	4.7
101.02451	5.1
101.06048	2.5
108.04559	30.1
110.06105	8.8
113.02451	5.5
119.05019	5.3
120.38179	2.4
120.99699	2.1
121.05327	2.6
122.06142	8.1
124.07679	65.8
125.08007	3.4
129.01878	2.5
134.03738	2.3
136.07674	100.0
136.99132	2.9
137.02457	2.6
137.08006	6.1
138.05597	19.3
145.05023	3.7
156.06651	2.4
157.08665	6.2
163.04002	7.4
168.06659	99.0
169.06938	6.3
177.05557	4.1
180.06641	23.8
190.12392	3.3
192.75249	2.5
209.06636	4.7
217.09879	3.3
233.12936	5.4
267.29449	2.3
277.11917	70.9
278.12234	5.4
293.08813	2.2
294.04465	2.7
319.13040	23.0
330.79144	2.3
337.11023	9.9
337.14935	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	336.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30626	1.2
56.67970	1.2
58.31386	1.5
58.42618	1.3
59.01378	4.8
70.72115	1.4
70.72529	1.1
71.01385	4.5
71.60786	1.4
72.99281	1.3
78.95895	15.2
81.05368	1.4
83.31075	1.1
85.02951	2.2
87.04517	2.5
87.88005	1.4
99.00883	5.5
101.02464	2.0
110.03618	8.0
110.98515	5.4
111.02002	100.0
112.98811	5.0
113.02448	2.4
125.57179	1.2
129.01924	3.6
130.08736	82.6
131.09065	5.0
137.03551	2.9
141.78725	1.2
154.90572	2.0
173.00909	4.5
203.63326	1.2
205.03432	1.7
211.00264	1.6
216.41446	1.4
225.01686	6.9
277.05341	1.4
297.55753	1.3
309.40237	1.3
309.88055	1.6
335.43729	1.3
337.04382	6.1
337.07867	4.0
337.11349	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	336.2541
Annotation	Linoleoyl glycine
Peak:m/z	Relative Intensity
56.28571	0.4
59.01364	1.5
59.12112	0.3
59.73212	0.4
70.52374	0.4
70.52692	1.1
72.04538	3.4
74.02467	100.0
75.02792	1.3
78.45648	0.4
89.77164	0.4
96.96023	0.5
127.21304	0.3
140.27730	0.4
143.43178	0.4
160.05147	0.3
183.65529	0.3
183.70485	0.4
187.39832	0.4
255.23183	0.9
261.37009	0.4
305.90182	0.3
336.25397	53.9
337.18314	1.1
337.25949	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	337.044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
70.05377	1.1
71.01369	1.0
73.02931	1.2
75.00866	0.6
78.95898	9.0
80.93696	0.2
83.05018	0.3
85.02956	0.9
87.04507	2.8
98.19923	0.3
99.00897	0.5
101.02441	0.4
101.06031	0.3
110.98534	4.9
111.02003	100.0
112.01707	0.4
112.02353	2.6
112.98771	0.2
113.02452	1.3
130.08723	2.3
137.02495	0.2
145.05016	0.3
152.99655	0.3
176.07159	0.3
192.99095	1.3
225.01674	5.9
249.06181	0.3
278.29697	0.2
328.58813	0.3
337.04352	7.0
337.11026	2.8
338.04642	0.5
338.11517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1758
Annotation	(+)-Rauflexine
Peak:m/z	Relative Intensity
59.01365	3.5
61.98820	4.5
65.60824	1.3
69.56754	9.2
72.19204	1.2
76.86654	1.2
82.44753	1.4
83.90849	1.3
95.00598	1.2
137.90184	1.4
142.92464	1.1
164.50935	1.1
218.59279	1.2
277.21683	40.5
278.22031	4.1
280.63690	1.2
283.89789	1.3
335.17560	100.0
336.17908	13.0
356.58582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.2
64.46281	0.4
70.45935	1.2
71.01360	0.4
72.03363	0.3
80.76465	0.3
95.00098	0.4
98.16416	0.3
112.57127	0.3
160.12419	0.4
184.28738	0.4
235.20641	0.9
253.21706	100.0
254.20049	0.3
254.22050	10.8
335.22012	23.3
336.22504	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	335.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93365	0.3
59.01376	18.8
69.25722	3.7
82.66614	0.3
82.98713	0.4
90.24895	0.4
97.72215	0.3
140.81493	0.4
158.23044	0.4
253.21704	100.0
254.22031	10.1
328.14789	0.3
332.66986	0.3
335.22009	22.4
336.22195	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	335.2952
Annotation	7,7-dimethyl-5,8-Eicosadienoic Acid
Peak:m/z	Relative Intensity
57.39822	0.9
58.10078	0.9
62.22269	1.0
65.51337	1.1
65.68197	1.0
69.46577	1.9
69.46987	6.2
78.65639	1.2
80.89832	1.0
81.84582	1.1
95.77368	1.0
104.91528	1.0
106.94964	1.1
152.75349	1.1
227.33638	1.0
289.31793	1.3
335.29498	100.0
336.29898	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	335.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41662	0.8
57.03437	1.7
58.00591	1.5
59.01379	71.8
60.01687	1.0
61.98815	2.9
69.93304	1.6
69.93700	2.7
71.01384	27.4
72.99294	3.1
73.02943	2.1
73.04058	3.4
74.02459	2.2
75.00874	2.1
77.74567	0.8
83.01398	1.7
85.02431	1.3
85.02948	25.2
85.66355	0.9
87.00857	4.3
88.04018	1.0
89.02439	23.3
90.02779	0.8
93.03412	1.3
93.07092	5.1
95.01390	3.5
95.05027	3.8
96.96012	3.8
99.00879	2.1
99.04504	3.4
101.01849	1.6
101.02442	15.8
111.08115	2.8
113.02439	12.1
113.03585	1.5
115.00300	1.1
119.03493	10.8
120.99619	1.0
123.03235	2.9
124.04063	1.2
129.01913	2.2
134.06133	11.7
137.02400	2.7
137.06070	1.2
138.05594	24.0
139.05898	1.4
143.03496	4.1
150.05527	1.3
155.07167	11.3
161.04520	1.8
179.05641	2.1
182.04585	1.7
184.06142	2.4
185.89528	1.2
209.06657	4.0
217.09941	1.0
237.07999	1.6
249.06165	5.1
317.12006	1.2
318.10986	1.1
333.61029	1.0
335.09799	10.1
335.13431	100.0
336.13867	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	335.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
57.03432	1.1
58.00566	0.7
59.01376	14.0
59.90339	0.5
61.98828	0.5
64.15443	0.4
69.03465	0.7
69.61559	2.7
71.01376	10.8
72.99302	1.2
73.02942	3.5
73.04060	1.0
83.01373	2.6
85.02941	4.5
86.00095	0.8
87.00881	1.9
89.02438	1.2
95.01365	0.7
95.34757	0.4
96.95986	1.6
97.80045	0.4
99.00873	1.5
101.02441	6.0
111.00865	1.3
113.02437	3.2
119.03501	0.4
124.01629	0.5
127.11274	1.5
128.03473	0.5
130.08731	1.1
131.09103	0.6
155.10747	1.1
173.11816	31.1
174.12166	2.1
181.80092	0.4
185.11832	0.4
187.13385	0.4
193.05112	0.5
249.13370	1.1
317.15967	3.4
335.17084	100.0
336.17426	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	333.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88064	0.9
59.01376	20.4
61.98820	1.2
70.99745	1.4
91.87328	1.0
92.51733	1.2
98.23135	0.9
99.88248	1.0
109.38114	1.0
159.48677	1.0
251.20129	100.0
252.20477	10.6
333.16498	2.2
333.20401	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	333.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	16.1
65.70830	8.8
69.28203	100.0
96.13902	9.7
98.19830	18.3
103.89773	8.1
135.22958	9.9
141.14006	10.8
149.92265	11.2
297.24347	47.1
323.33575	12.3
333.20578	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	334.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42404	2.7
50.68586	2.7
59.01363	3.1
61.98517	5.8
61.98829	100.0
68.41345	3.3
71.63364	3.1
93.76257	2.7
266.53799	2.9
277.21710	28.2
299.71750	3.1
335.17578	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03445	1.8
58.00590	0.9
59.01375	57.3
68.99818	1.3
69.03454	2.5
69.34400	6.6
69.53500	0.8
71.01378	24.8
72.99294	2.8
73.02942	32.3
75.00872	1.0
83.01388	7.3
85.02947	9.5
85.06589	17.1
86.06905	1.0
87.00884	3.7
87.04517	1.2
89.02444	6.7
95.01399	1.1
96.95985	1.5
97.02947	2.4
99.00884	2.5
101.01786	1.0
101.02436	18.4
111.00854	1.1
111.08146	1.9
113.02449	6.6
113.06078	8.6
115.04019	1.5
115.07629	2.8
119.03479	1.7
127.07660	3.2
129.01926	4.1
129.09258	0.8
131.03476	1.5
131.07127	69.0
132.07481	1.4
135.04527	4.9
141.01889	1.0
143.03525	1.0
143.07132	18.1
149.04478	0.8
159.02991	1.0
161.04517	1.8
173.08156	5.9
191.05592	3.7
201.60086	0.8
209.88242	0.8
232.32953	0.8
275.11334	9.6
291.13385	2.0
293.12402	16.1
294.12579	1.8
310.53113	0.8
320.44043	0.8
335.13452	100.0
335.20554	3.0
336.13727	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	333.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40313	1.6
59.01378	9.1
60.99308	8.6
63.96230	1.6
69.89721	4.5
69.90126	3.3
71.01356	4.3
72.40369	1.3
72.99282	1.4
74.99065	1.5
78.95898	100.0
85.02934	1.9
87.00845	2.0
87.23299	1.6
87.92509	12.3
88.98799	74.5
89.02436	1.8
89.99098	1.9
96.95993	3.6
96.96960	21.9
103.92015	12.9
104.92809	7.8
105.93570	1.8
110.98537	2.2
111.00873	2.4
112.04002	2.2
118.03013	1.3
120.90470	3.5
123.94625	1.4
125.66671	1.5
141.01906	1.8
145.96680	1.8
152.99571	72.0
171.00581	12.6
188.68794	1.6
201.97774	2.0
216.90614	1.7
217.95171	6.7
218.96571	2.3
241.01158	35.8
242.01627	2.0
245.94510	1.9
259.02219	1.9
281.09940	1.6
302.59131	1.8
315.13654	1.7
315.91489	2.1
333.05875	96.3
334.06171	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	333.0592
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
57.49405	0.3
70.05811	1.7
72.33359	0.4
78.95900	91.0
92.86087	0.3
96.95971	1.0
96.96959	17.8
102.93613	0.4
150.98047	1.4
152.99580	78.0
153.99956	1.4
167.44325	0.4
171.00632	9.7
223.00024	0.6
241.01181	36.9
242.01509	1.5
247.87151	0.4
258.99716	0.4
259.02087	1.9
326.78271	0.4
333.05893	100.0
334.06265	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	331.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58131	0.5
55.01862	0.7
57.03448	0.5
59.01377	100.0
60.01715	1.4
61.73857	0.4
69.53393	2.9
71.01378	6.5
72.99319	0.4
73.02940	2.1
75.00880	1.7
79.95712	1.0
81.83907	0.4
82.01453	0.4
83.01392	1.5
85.02946	4.9
87.00885	0.5
89.02428	1.2
92.53493	0.4
95.01396	0.5
96.95988	2.1
99.00869	1.1
101.02435	5.7
113.02439	3.7
125.02517	0.5
127.11356	0.6
155.54228	0.5
161.04523	2.7
199.34366	0.4
280.33740	0.5
289.16513	6.1
330.67761	3.4
331.03735	0.6
331.07919	0.8
331.12134	1.0
331.18384	3.5
331.24915	2.7
331.68597	1.9
332.12125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02944	4.1
57.03667	3.6
59.01370	9.6
67.87565	3.1
71.62534	4.6
77.97443	3.2
78.95895	4.5
122.03710	6.1
123.04509	73.5
152.99548	6.1
162.05595	6.6
178.08708	36.6
195.13841	9.0
196.17030	16.9
202.22183	4.1
277.21619	6.3
280.23737	4.2
284.10019	3.7
295.22778	100.0
296.23175	8.8
306.56247	3.4
332.22293	88.8
332.26065	7.9
338.78836	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	331.2487
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
55.94865	0.2
56.76383	0.2
57.45560	0.2
58.00573	0.4
69.78873	0.7
80.35246	0.2
81.90604	0.2
97.06599	0.3
112.65175	0.2
125.09704	1.1
127.11287	5.6
137.09700	0.3
139.11276	0.3
143.10818	1.2
153.09196	0.2
155.10760	1.9
157.12328	4.4
161.46388	0.2
171.10237	2.4
187.13370	1.1
201.11237	1.1
215.86674	0.2
277.21783	0.2
285.24298	0.3
295.22861	1.3
311.22266	0.7
313.23819	8.2
314.24146	0.7
325.36154	0.2
329.23300	3.6
330.23785	0.3
331.24860	100.0
332.25195	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	332.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17882	0.7
59.01361	1.2
61.98837	0.8
64.49496	0.7
84.04546	16.9
88.59047	0.7
96.96006	1.4
110.86741	0.7
121.28149	0.7
139.11285	6.2
161.18823	0.8
162.02304	100.0
163.02617	2.8
170.15271	0.6
174.46133	0.8
203.11234	0.8
251.95702	0.9
332.15253	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68068	20.2
60.61642	21.4
67.25583	16.3
71.01382	21.7
71.62608	28.9
93.59192	21.3
190.44699	16.9
193.02460	18.2
214.15094	16.9
250.14430	67.2
333.24411	100.0
338.36987	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	331.0821
Annotation	5,7,4'-Trihydroxy-8,3'-dimethoxyflavanone
Peak:m/z	Relative Intensity
50.70187	0.2
57.03436	0.5
59.01376	0.2
65.00308	1.3
70.90027	0.5
72.02157	0.4
75.00881	0.4
85.02971	0.4
87.04510	5.1
95.01406	0.9
96.02168	0.4
96.99317	0.3
98.00114	0.4
110.00114	1.3
111.00880	5.7
112.01659	0.7
113.02447	1.9
136.98799	1.9
139.00366	4.7
140.01149	100.0
141.01489	3.2
148.01630	0.6
155.03493	59.7
156.03827	2.8
163.04004	0.3
165.99039	0.3
168.00693	0.4
169.56328	0.2
176.04709	0.3
183.75458	0.2
212.64342	0.2
229.04826	0.3
316.05823	1.9
330.23618	0.9
330.67651	1.6
331.08188	24.8
331.23978	0.6
332.08517	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	331.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.8
59.01372	1.6
63.02402	2.1
65.00323	2.2
65.58459	0.3
69.03453	0.7
71.01360	0.8
73.01163	0.7
75.00865	1.2
79.95718	0.4
80.05063	0.8
81.03441	0.4
83.01387	3.5
85.02951	1.0
85.89013	0.3
92.78843	0.4
95.01382	12.0
96.01691	0.4
96.96008	1.4
99.00796	0.4
105.73417	0.3
107.01381	3.7
108.02171	0.6
109.02958	0.5
111.00881	3.3
113.02435	0.7
121.02946	1.0
123.00882	6.0
124.01665	12.8
125.02453	12.4
126.02843	0.3
129.01935	0.4
130.08748	0.6
135.00853	0.6
135.04503	0.8
136.01692	0.5
136.07695	1.7
137.02403	1.1
139.00366	2.9
140.01173	0.8
149.02406	1.3
151.00352	8.4
152.01141	12.7
153.01967	1.6
161.02394	0.3
162.02182	1.8
163.04021	2.1
165.01917	1.6
169.01375	0.6
169.56271	0.3
173.05994	0.4
177.05553	0.5
178.99844	7.2
180.00322	0.6
181.10661	0.4
183.04526	0.6
187.03999	0.7
191.03531	1.9
200.12695	0.3
201.05562	0.4
202.06325	0.7
206.05843	2.0
211.03995	1.1
213.05663	0.4
215.03476	0.7
227.03368	1.9
229.05051	0.8
230.05916	0.6
239.03494	0.5
241.05090	0.5
242.05827	0.7
255.02989	1.7
257.08127	1.6
269.04547	0.8
270.05237	0.7
273.04044	1.0
275.09180	1.0
283.02493	1.4
285.07614	0.9
287.05624	2.3
287.10397	1.2
297.03979	0.7
298.04791	0.9
301.03473	3.0
313.07147	4.6
315.05035	4.1
316.05679	1.3
317.77087	0.4
330.67767	3.4
331.08203	100.0
331.24814	1.5
332.08557	10.1
332.12073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.59595	0.5
69.02888	0.6
69.03450	1.8
69.64252	1.5
69.64658	1.7
79.01877	0.7
81.03465	1.0
83.01389	0.6
85.85069	0.6
96.96004	11.3
97.02943	2.1
104.28624	0.4
106.22271	0.5
107.01376	1.4
114.08129	0.5
123.00893	2.3
124.01656	13.2
125.02435	53.1
126.02757	1.6
127.70277	0.5
129.67453	0.5
136.99129	0.8
149.98349	1.1
149.99568	22.9
151.00278	1.9
153.01976	0.7
167.03497	0.8
168.00616	55.2
169.01158	5.0
307.65707	0.6
313.05606	6.0
314.05817	0.6
331.06699	100.0
332.07053	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	331.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43342	0.4
59.01384	2.8
61.98830	0.7
70.07671	0.9
70.08073	0.8
71.01376	1.6
72.99312	0.9
73.02953	0.5
73.04057	1.3
74.02473	1.0
74.99074	0.6
75.00871	1.5
78.20528	0.4
78.95902	1.1
79.95765	1.3
80.96519	0.9
85.02950	1.3
87.00892	0.5
88.04040	1.3
89.02471	0.4
96.00925	0.6
96.96008	73.3
98.02452	0.6
98.20532	0.5
101.02452	1.2
103.05142	0.6
103.41024	0.3
108.02182	0.8
109.01703	1.5
110.02483	0.7
112.04026	0.5
113.02431	0.5
113.03574	0.6
123.04546	0.7
124.01665	0.7
125.02435	3.5
128.03539	0.6
130.08722	2.3
138.09233	0.6
143.11920	1.3
149.99557	1.3
152.07147	0.5
153.01935	6.2
166.08722	0.5
167.03503	1.3
168.00682	2.9
168.04295	3.4
169.01398	0.5
169.05022	1.2
169.09839	0.7
180.10342	0.4
181.03249	0.5
186.12407	0.6
187.10847	0.4
200.14073	1.1
210.07712	0.9
225.33191	0.3
241.00314	1.9
241.60788	0.4
267.09763	2.4
274.99506	0.4
284.12500	1.3
297.10840	1.2
301.15228	0.9
314.13489	2.2
331.06995	100.0
331.16339	2.8
332.07355	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03440	0.7
58.00581	1.3
59.01093	0.4
59.01377	6.7
61.38606	0.3
61.98825	0.6
63.96244	0.3
65.00301	0.7
70.00189	1.7
71.01370	0.6
72.99300	0.6
75.00851	0.4
79.21721	0.3
82.34349	0.4
83.05023	0.4
84.02140	0.4
84.16513	0.4
93.35788	0.4
93.91573	0.4
96.96021	1.3
97.06535	0.4
99.08160	3.8
103.78124	0.3
110.00123	0.4
110.46744	0.3
125.09714	2.5
127.07613	0.7
127.11291	3.6
129.09219	3.8
137.02428	0.5
139.11287	3.1
141.12711	0.4
151.00359	1.7
152.01117	0.3
153.09100	0.6
155.10793	1.8
157.12323	0.4
165.09143	0.6
169.12340	3.2
170.88379	0.7
170.91081	0.5
171.10255	16.5
172.10556	1.1
176.98241	0.7
178.99838	0.4
181.12297	1.9
182.12560	0.5
183.13997	0.6
185.11815	1.3
186.95654	0.4
193.12375	0.8
195.87984	0.4
197.11757	1.5
199.13400	8.3
201.11304	10.6
202.11522	0.4
211.13370	7.3
213.11372	0.4
227.12871	0.5
229.14429	1.5
234.84445	0.3
271.02466	1.1
275.20157	1.5
285.20706	0.6
293.21078	2.8
294.21640	0.4
299.01953	0.8
311.01923	0.9
311.22357	2.8
312.22562	0.5
314.04276	3.4
329.03088	0.8
329.06577	4.2
329.23297	100.0
330.06879	0.4
330.17569	0.9
330.23651	12.0
346.47556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.233
Annotation	9,12,13-Todea
Peak:m/z	Relative Intensity
50.33443	1.1
52.02681	1.2
56.91137	0.9
58.00587	1.5
59.01371	13.2
61.98821	2.2
69.60798	8.0
96.96014	4.1
101.76088	1.2
113.83877	1.1
124.01710	1.0
125.02425	1.5
129.23409	1.1
130.25034	1.3
151.00368	1.6
153.01855	4.6
153.12903	1.8
155.14357	3.1
170.88354	1.5
170.91096	2.0
171.10207	3.5
183.13835	6.0
186.95718	1.7
190.55753	1.1
199.13377	7.5
211.13422	6.3
221.15408	2.6
227.12920	2.8
229.14413	100.0
230.14742	7.3
236.10434	1.2
271.02454	2.0
281.50693	1.2
293.17468	1.9
311.01688	1.2
311.22235	11.7
314.04404	7.4
315.04254	1.3
329.03195	1.5
329.06580	8.4
329.17371	1.9
329.23340	23.7
330.23657	2.5
338.19073	1.2
339.58362	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95741	0.3
57.03424	0.9
60.61043	0.3
61.40192	0.3
65.00311	0.6
65.30328	0.4
69.03429	0.5
69.69652	0.6
69.70055	1.5
71.05035	0.5
83.01389	0.4
83.04991	0.8
85.02938	0.4
89.00288	0.4
97.06545	0.5
98.19955	0.5
99.08143	5.0
107.01366	0.5
108.70393	0.3
125.09708	1.8
127.11298	2.7
129.09221	0.4
137.09650	0.5
139.11279	2.6
151.00366	3.7
151.11128	0.4
155.10757	0.5
155.14403	0.9
167.10754	0.5
167.14397	1.2
169.01479	0.5
171.10251	7.4
172.10649	0.4
176.98314	1.3
183.13875	6.2
184.14250	0.5
193.12299	2.5
199.13322	0.4
201.11273	0.4
209.11842	1.8
211.13365	31.5
212.13704	2.3
229.14412	15.7
230.14751	1.3
243.02963	0.4
258.93243	0.3
271.02441	1.4
293.21222	0.9
299.01917	2.7
300.01877	0.4
311.01895	1.6
311.22333	0.8
314.04306	2.3
329.02985	2.3
329.06665	2.2
329.23291	100.0
330.23639	11.8
330.27618	0.6
331.25824	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.5
58.20127	0.4
59.01376	2.7
70.46733	1.2
72.27074	0.4
75.41929	0.4
90.35445	0.4
97.06557	0.6
99.08142	7.9
124.56084	0.4
127.07655	1.2
129.09215	6.9
151.00362	0.5
151.11311	0.5
167.58568	0.4
169.12315	4.8
181.12315	3.9
183.13914	1.4
193.12326	1.5
197.11771	2.9
199.13383	19.9
200.13730	1.3
201.11263	0.9
211.13382	13.2
212.13632	0.8
227.12811	1.2
229.14363	2.0
271.02408	3.9
275.20398	0.6
285.04062	1.1
293.21234	4.3
299.01944	3.6
300.02515	0.8
311.22208	2.1
313.03595	1.7
314.04340	3.6
329.06638	7.3
329.23303	100.0
330.06989	0.6
330.23648	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	329.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19386	0.5
59.01375	3.5
65.00317	2.0
67.54759	0.4
75.00862	1.9
85.02943	1.2
89.00320	1.3
96.95977	0.5
98.20692	1.2
99.08170	0.4
100.88100	0.4
101.20373	0.4
107.01382	0.9
110.00113	2.7
113.02410	0.6
125.09702	2.0
127.11286	5.0
128.11601	0.6
136.98825	1.2
139.11311	0.8
149.35931	0.4
151.00359	5.1
155.10757	2.1
157.12328	1.5
165.99080	2.0
169.01410	1.1
171.10268	10.8
172.10577	0.7
176.98326	2.5
183.04453	0.9
199.04036	0.8
211.13356	1.2
215.03540	0.6
227.03453	1.7
242.05843	0.9
244.03737	0.8
255.23369	0.7
271.02484	1.8
281.01062	0.5
283.22626	0.5
293.21194	1.0
299.02014	1.4
299.22308	0.6
311.01984	2.7
311.22293	3.9
312.02264	0.6
314.04291	14.5
315.04617	1.7
327.21646	3.5
328.67783	0.8
329.02957	2.9
329.06592	17.0
329.23294	100.0
330.07025	2.1
330.17593	9.7
330.23563	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	329.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21243	1.9
50.90940	1.8
52.66644	2.1
58.97297	1.8
59.01382	14.0
69.97865	8.0
71.01382	15.9
72.99305	4.2
73.02949	6.6
75.00869	9.2
78.95906	6.6
85.02947	5.1
87.00877	5.8
89.02439	30.0
93.18371	2.5
96.96008	5.8
98.19950	2.9
98.91150	2.1
101.02448	6.8
103.03986	3.2
105.01930	5.2
113.02422	4.6
119.03486	3.0
122.03726	8.4
123.04521	6.3
126.98914	3.7
128.03548	2.7
131.03513	3.9
134.04779	3.8
135.05075	2.8
137.80676	2.3
146.04570	2.5
149.04541	100.0
150.05681	2.8
161.04587	2.6
167.03517	2.5
203.25853	2.5
209.06529	2.3
329.12360	3.8
330.04636	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	329.139
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
53.78215	0.5
55.00753	0.5
59.01378	3.2
63.39951	0.5
65.00315	0.7
67.01856	0.6
71.01367	0.8
71.63168	0.6
79.01884	0.8
79.95734	0.7
85.02944	1.0
93.03462	1.2
94.63743	0.5
95.01295	0.5
95.95240	0.7
96.95999	3.6
97.02953	1.1
99.00925	0.6
105.03489	0.6
108.02154	0.9
109.02938	1.0
113.02487	0.5
119.05051	0.6
121.02948	12.1
122.03761	3.5
123.00867	2.3
123.04515	2.0
124.01670	2.9
130.04271	0.6
131.04997	1.8
133.02953	3.0
134.03656	0.5
136.01674	1.9
136.05292	1.8
137.02452	3.4
137.06082	1.0
138.03200	0.8
139.04010	5.7
143.05031	2.4
145.02911	1.4
146.03799	0.6
147.04489	8.2
148.01677	1.5
149.02455	3.6
149.05962	0.7
150.03218	13.0
151.03934	2.0
153.01923	1.0
153.05580	0.6
154.02661	0.8
158.03719	10.9
159.04501	31.2
160.05284	78.7
161.06062	29.7
162.03275	1.1
162.06487	1.5
163.03995	13.8
164.04776	12.1
165.01910	3.0
169.05055	2.0
172.00958	0.5
173.06059	9.2
174.06607	0.8
175.07622	56.5
176.04739	1.7
176.07967	3.7
177.05560	16.8
178.06345	12.7
179.06734	0.7
192.07890	1.1
193.08698	5.6
194.09068	1.0
195.02968	2.3
200.07150	2.1
223.04610	0.5
234.08409	2.5
267.11389	2.7
271.02283	1.0
283.20139	0.6
297.03864	0.8
299.02066	0.8
314.04364	3.4
314.11612	1.8
315.04797	0.6
329.06946	15.7
329.13916	100.0
330.07132	1.2
330.11087	1.2
330.14316	10.6
330.17667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67573	0.6
57.03448	6.2
59.01377	6.7
67.01882	1.1
68.99811	1.6
69.03459	3.2
69.73172	1.2
69.73586	2.5
71.01373	8.4
72.99291	4.7
83.01369	1.5
85.02945	20.0
87.00851	3.6
87.04506	1.8
89.02434	2.1
93.03451	41.0
94.03806	1.3
97.02940	7.1
98.19940	1.3
99.00877	5.2
101.02445	1.6
111.00853	2.9
113.02437	3.1
115.03990	4.6
129.01917	17.7
129.02806	1.2
130.02205	0.8
137.02432	100.0
138.02754	4.6
141.01924	3.7
149.06015	0.8
153.96327	0.6
159.02960	3.2
160.75476	0.7
177.58434	0.6
191.05589	13.7
192.05914	0.7
205.05118	0.8
209.06641	25.6
210.06964	1.0
236.17392	0.6
329.08743	20.0
330.09003	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.2
69.26990	1.0
69.27402	3.5
71.01378	1.1
73.02950	0.6
79.95729	1.9
80.96508	0.9
83.01403	0.7
83.67600	0.5
85.02933	0.7
93.42186	0.4
96.96000	68.1
97.95902	0.6
100.54578	0.4
101.02451	1.2
149.06029	0.4
156.31319	0.4
166.02684	0.7
182.08240	0.5
233.67363	0.4
241.00153	0.9
309.44809	0.4
328.58655	0.5
329.09070	100.0
330.09415	7.5
330.20135	1.1
348.17569	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01087	0.7
59.01374	8.4
66.68121	0.4
69.56010	1.6
69.56422	1.2
71.01379	1.6
73.02962	0.8
79.95757	1.2
80.96537	0.5
83.92561	0.4
85.02932	1.0
96.96002	65.9
101.02448	0.9
106.95250	0.4
137.02480	0.5
162.66013	0.4
241.00156	2.0
248.75325	0.4
329.09045	100.0
330.09372	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0664
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
55.44603	0.7
57.03425	0.9
57.95479	0.6
59.01373	3.3
59.96677	0.7
60.17379	0.7
61.01333	0.6
61.15959	0.6
65.00313	4.7
65.03955	1.7
67.01875	1.6
68.67876	0.6
71.01379	1.4
72.98206	0.6
72.99302	1.0
79.95747	1.5
83.01399	0.7
85.02953	2.1
89.02415	0.8
89.03970	3.0
89.71892	0.6
91.01895	2.8
95.01366	0.7
95.95217	1.2
96.96007	7.5
97.02959	1.4
101.02412	0.7
105.03465	0.9
107.05030	1.8
108.02163	2.6
109.02946	6.3
110.22552	0.6
121.02975	2.1
123.04494	0.9
124.01639	10.0
125.02412	1.1
129.01915	1.4
133.02948	47.4
134.03258	1.5
136.01653	6.0
139.03999	29.0
140.04358	2.0
149.02417	1.3
151.00342	1.2
151.04001	13.5
153.01932	11.7
154.02716	5.0
163.00354	1.8
165.01912	2.0
167.03465	0.9
169.05051	30.8
169.64040	0.7
170.05440	1.3
177.01871	6.6
178.99857	6.6
190.94952	0.7
191.05586	1.0
191.16493	0.7
195.02965	34.0
196.03323	1.5
202.27025	0.6
224.04688	1.0
233.07567	3.8
233.57732	1.2
238.02716	1.0
240.04514	0.7
241.05078	1.7
266.02179	1.1
267.08826	0.9
269.04565	3.5
270.05219	1.4
281.04544	1.6
285.04059	1.8
285.07663	6.5
295.02261	0.9
299.05627	1.8
308.18365	0.7
311.05743	4.2
313.03513	7.0
314.04245	2.2
329.06650	100.0
329.61005	1.6
330.06970	10.4
330.10553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59734	0.6
57.03438	0.8
58.00593	1.1
59.01374	5.5
65.00315	4.2
71.62167	0.7
85.02924	0.6
92.99818	1.0
96.96028	1.2
96.99282	1.2
99.08149	1.7
108.02162	1.7
125.09708	4.5
127.11282	5.7
133.02966	1.0
136.98781	9.1
137.09711	1.0
137.11761	0.6
139.11276	1.4
147.12004	0.7
153.01933	1.8
155.10786	2.7
160.01633	1.6
164.96878	1.0
164.98274	13.2
165.09189	2.3
167.14322	0.7
171.10248	6.8
175.03999	0.9
183.10312	0.9
183.13916	2.2
199.03966	3.6
199.09714	2.3
201.01860	2.8
201.11304	34.9
202.11667	1.1
211.13356	11.7
212.13635	0.9
227.03477	2.9
229.14470	5.7
253.67627	0.7
271.02444	14.8
272.02606	0.9
275.19922	0.8
293.21146	3.2
299.01938	38.4
300.02353	2.7
311.22369	3.2
314.04312	38.4
315.04758	3.1
329.06625	41.1
329.23303	100.0
330.07010	4.8
330.23615	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73499	0.5
63.50584	0.4
65.00319	7.4
70.01023	1.0
70.01411	1.0
70.13462	0.5
79.94189	0.5
82.00620	0.7
96.99333	0.5
110.00091	14.2
111.00871	1.1
113.02490	0.8
121.02975	0.6
123.00903	1.1
124.01750	0.5
133.02965	1.2
136.98788	6.2
137.99591	2.6
139.00365	1.5
141.99043	0.5
151.00349	0.7
152.01189	0.7
161.02432	0.8
164.98317	1.2
165.99062	15.7
166.99319	0.6
171.04509	1.0
175.03981	0.6
175.33922	0.5
183.04536	2.4
185.02419	1.3
187.04007	0.7
189.05568	0.8
199.03964	6.5
200.04503	0.5
201.01918	1.0
202.02670	0.5
202.06380	0.5
203.03467	0.8
211.03934	0.7
213.01987	0.7
213.05569	1.2
215.03513	3.3
217.05034	2.4
218.05789	0.6
226.02592	0.5
227.03448	8.3
228.04016	0.6
229.01370	2.1
230.05763	3.3
231.06181	0.6
241.05113	1.4
242.05795	5.1
243.02991	1.7
244.03743	5.0
245.04205	0.8
253.01402	1.8
255.02910	0.6
257.04422	0.5
258.05356	1.0
269.04532	0.6
270.05328	1.0
271.02438	8.1
272.02878	1.0
274.37845	0.5
281.00909	2.8
285.03937	1.8
286.04712	2.0
299.01950	7.4
300.02600	1.2
313.03574	3.2
314.04288	82.0
315.04654	9.1
329.06622	100.0
329.23315	1.4
330.03299	0.9
330.06976	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	329.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98218	0.4
51.40546	0.3
57.03502	0.4
58.31889	0.3
59.01436	0.9
65.00039	1.1
65.00414	8.3
72.99410	0.4
74.98753	0.3
80.38848	0.4
81.23038	0.4
82.00652	0.4
83.01437	0.4
89.00443	2.0
96.99420	0.8
98.19918	0.8
99.08286	1.1
107.01385	2.0
108.99391	0.7
110.00091	15.8
111.00987	1.6
113.02569	1.1
123.00996	1.4
124.01711	0.5
125.02480	0.4
125.99664	0.4
127.11367	0.8
133.03046	1.6
136.98781	7.2
137.99612	3.3
139.00378	2.2
139.11295	2.1
141.09935	0.4
143.05122	0.5
149.02513	0.4
151.00345	8.5
152.01204	0.6
157.03107	0.4
157.08784	0.6
159.04585	0.5
161.02542	1.1
164.98283	0.8
165.99051	17.3
166.99525	0.5
169.01526	1.1
171.04597	1.3
171.10265	5.3
176.98262	2.4
183.04486	1.9
185.02534	1.2
187.04106	1.4
189.05663	0.6
198.03279	0.6
199.03987	7.6
199.05676	0.6
199.13454	0.7
200.04486	0.7
201.02034	1.0
202.02829	1.6
203.03452	0.8
211.03925	0.5
211.13448	0.5
213.01964	0.8
213.05675	1.0
215.03511	4.2
216.80479	0.4
217.05017	2.9
218.05920	1.1
226.02682	0.7
227.03485	8.1
228.00760	0.5
228.03998	1.2
229.01494	1.5
230.05830	3.5
241.05112	1.6
242.05814	5.7
243.00815	0.5
243.03026	2.5
243.06271	0.5
244.03741	4.0
245.04207	0.6
246.05356	1.2
253.01448	2.1
255.02986	1.2
257.04694	0.8
258.05325	0.8
261.07797	0.6
269.04639	1.0
271.02463	9.0
272.02780	0.7
281.00894	3.6
285.03979	2.0
286.04709	1.6
299.01944	7.8
300.02365	1.0
311.01929	3.7
312.02451	0.4
313.03473	3.3
314.04288	90.5
315.04617	8.4
329.03134	6.1
329.06604	100.0
329.23257	12.3
330.03433	0.7
330.06946	11.5
330.17465	1.2
330.23529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0299
Annotation	(3E)-Obtusenyne
Peak:m/z	Relative Intensity
57.03445	1.0
59.01358	2.4
63.02390	1.3
65.00317	14.5
70.52065	2.4
74.51747	0.8
75.26634	0.7
77.19602	0.8
83.01384	3.3
89.00327	26.3
98.19984	1.0
99.08164	4.2
107.01382	18.2
121.93404	0.7
125.02426	4.3
125.09741	1.5
127.11267	1.4
132.99297	1.7
133.02956	4.9
151.00357	100.0
151.31526	0.8
152.00742	4.2
157.02908	2.7
167.14418	1.8
169.01416	15.3
171.10248	3.2
176.98273	38.2
177.98656	2.9
183.13914	4.7
193.12387	1.9
194.99335	1.4
209.11987	1.0
211.13376	24.7
212.13753	1.1
229.14378	14.2
233.31587	0.7
267.03012	1.2
293.21124	1.5
311.01959	46.8
312.02264	3.7
314.04269	1.9
328.21936	1.0
329.02994	71.0
329.23288	75.4
330.03430	6.6
330.23657	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37798	0.5
65.00321	6.5
65.00609	0.6
69.47341	4.2
94.82209	0.6
110.49697	0.5
133.02983	2.1
136.98801	12.0
143.05061	0.8
151.00380	1.0
152.01115	1.0
157.02950	1.1
159.04515	1.1
164.98328	1.1
171.04500	2.1
178.99898	0.8
183.04474	3.3
185.02411	4.7
187.03992	0.7
199.03987	38.2
200.04366	2.4
201.01927	2.6
201.05571	1.6
211.04039	2.1
211.13387	0.7
213.01796	2.6
227.03473	8.5
231.02995	1.3
243.02875	3.9
253.01230	1.3
255.02980	2.3
271.02441	50.2
272.02759	4.5
281.00806	2.5
283.02460	1.8
299.01929	30.6
300.02338	3.1
313.03543	0.8
314.04285	100.0
315.04596	8.2
321.49634	0.6
328.22028	1.6
328.36246	0.6
329.06610	92.6
329.22202	3.1
330.06915	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	328.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
74.02465	0.8
82.19778	0.6
84.00900	0.9
88.91524	0.5
93.03448	3.2
96.96018	0.7
117.03407	1.2
118.17525	0.6
120.99660	6.3
121.02941	2.6
123.04521	0.7
124.03954	0.5
126.35514	0.6
126.66928	0.5
132.02162	2.6
133.02974	8.4
133.05328	58.7
134.03743	13.6
134.05794	2.5
134.05972	2.5
135.04536	6.3
137.02483	0.8
141.85646	0.5
147.04538	0.8
148.05299	2.8
149.06071	7.8
160.01665	10.5
160.03973	2.7
161.02434	92.5
162.02782	4.6
165.01897	0.8
175.03999	10.8
178.04955	0.6
188.20638	0.6
190.59944	0.6
234.07738	2.0
252.07898	6.5
283.09842	0.7
295.08469	8.9
296.08746	1.3
310.10825	100.0
311.11148	12.1
328.11847	6.9
329.12448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	39.5
61.98827	1.2
68.93971	0.6
71.61178	0.7
72.75309	0.5
115.02511	1.6
117.00446	2.8
125.00927	1.1
126.98876	1.3
143.01956	3.0
157.03513	0.7
159.01485	63.4
160.01593	4.1
168.77281	0.6
168.99945	4.1
170.97795	1.6
187.00966	100.0
188.00739	11.0
201.02525	16.8
201.03928	0.4
202.02696	1.8
211.76993	0.5
256.53177	0.5
256.99829	0.6
259.01761	0.7
274.99561	0.9
279.85751	0.7
287.01105	0.8
289.80774	0.5
311.00977	1.3
318.18228	0.6
329.02167	3.9
329.05795	0.5
330.02066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1187
Annotation	CHEBI:67373
Peak:m/z	Relative Intensity
53.57512	0.4
59.01377	2.4
59.37299	0.6
70.31078	1.2
70.31472	1.0
71.01385	1.2
78.25983	0.4
79.95740	2.1
83.04892	0.5
88.19635	0.5
91.28008	0.4
93.03458	3.8
96.96003	2.1
98.20589	0.6
107.04968	0.5
108.11337	0.5
109.02946	0.9
111.00849	0.5
113.02456	0.5
114.76410	0.5
117.03472	0.9
121.02946	3.4
123.04491	0.6
132.02162	2.5
132.04552	1.1
133.02991	8.3
133.05322	61.3
134.03734	15.7
134.05772	2.2
135.04546	6.4
147.04536	1.1
148.05296	7.1
149.02409	1.0
149.06076	6.1
152.61253	0.5
158.03770	0.5
159.01035	0.5
160.01654	9.9
160.04001	2.3
161.02429	83.6
161.99365	0.5
162.02751	5.0
175.03992	8.9
175.07697	0.5
190.05081	2.3
194.02118	0.8
232.06773	0.5
234.07640	1.4
251.07002	0.8
252.07870	5.4
270.05099	0.6
284.10123	0.6
285.07596	1.2
295.08444	10.5
296.08731	0.7
310.10815	100.0
311.11121	11.0
314.04056	0.7
328.04996	0.6
328.11826	5.2
329.06519	1.2
329.13870	0.9
332.03226	0.6
337.12759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60535	0.6
57.03442	0.8
59.01370	2.1
65.00331	0.6
65.23698	0.5
69.03440	0.7
71.01369	1.9
72.99331	0.6
73.93803	0.6
75.50552	0.7
79.95732	1.5
85.02951	1.7
89.02450	0.6
93.03453	0.8
95.42545	0.6
95.95222	1.5
96.96006	5.8
97.02920	0.6
98.19886	2.0
101.02483	1.0
102.61918	0.6
107.05012	1.9
108.02153	0.6
109.02927	1.0
111.00870	0.6
113.02419	0.8
116.73566	0.6
117.30840	0.6
121.02932	1.2
122.03718	1.7
123.04523	6.4
124.01663	1.3
129.01964	0.9
132.02139	0.9
133.02942	4.3
134.03726	14.8
135.04517	40.1
136.03941	0.9
136.04869	2.1
137.02411	1.2
138.97099	0.7
139.03983	3.1
143.35513	0.6
147.03433	0.6
147.04474	3.6
148.05295	45.1
149.04773	1.9
149.05995	7.4
150.03189	1.8
151.03961	1.6
151.06335	0.7
152.07152	11.7
153.01923	1.4
159.11160	0.6
160.01598	2.7
160.03992	1.1
161.02408	2.1
164.03561	0.6
165.05556	0.6
166.08650	1.0
169.05052	1.7
175.03961	6.0
176.03529	2.0
177.01901	0.7
177.04240	2.1
178.05074	36.1
179.05428	1.9
190.05064	12.8
191.05479	1.1
192.06682	0.7
195.02943	3.2
204.06644	1.4
205.45607	0.6
211.50204	0.7
232.61467	0.6
233.07516	6.4
241.00356	0.6
256.99615	1.0
285.07660	0.6
299.05215	0.6
303.54166	0.6
313.09564	1.5
328.11850	100.0
329.06610	8.0
329.11966	10.8
353.28952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
51.49797	1.4
59.01380	100.0
61.98815	1.6
69.51452	6.1
69.51884	4.9
75.00858	2.0
95.79893	1.7
185.00777	1.8
222.40721	1.9
312.17657	1.5
327.18259	5.3
327.29019	93.1
328.29391	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	328.045
Annotation	cAMP
Peak:m/z	Relative Intensity
51.24253	0.1
56.62785	0.1
59.01372	0.3
60.20075	0.1
61.98821	0.6
68.08666	0.1
71.01384	0.3
71.61050	0.1
76.52833	0.1
78.95900	0.4
85.02963	0.2
92.02556	0.8
96.96001	0.4
101.02409	0.2
107.03629	4.1
122.03736	0.2
123.04523	0.5
130.08727	0.4
134.04721	100.0
135.05165	2.4
137.02452	0.1
148.04219	0.1
152.07080	0.1
192.99094	0.2
218.81726	0.1
284.12323	0.1
328.04459	2.9
329.05249	0.8
354.72516	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.0
59.01379	6.1
61.98839	0.8
62.22826	0.7
67.01874	1.5
68.99796	2.0
69.03447	4.2
70.16273	1.5
70.16659	1.7
71.01375	9.6
72.99297	6.4
83.01365	3.4
85.02944	18.1
86.03207	1.0
87.00863	2.5
87.04492	1.8
89.02464	0.9
92.05054	12.5
96.96017	4.8
97.02940	8.8
98.19882	1.0
99.00897	6.1
101.02438	1.3
108.04523	3.1
111.00867	2.1
113.02428	1.8
115.04015	4.2
117.02099	0.7
129.01933	20.5
133.55579	0.8
136.04031	100.0
137.02414	1.5
137.04329	3.6
141.01903	3.7
147.04472	2.7
148.04825	2.9
148.07639	0.8
159.02956	2.3
167.03392	1.8
177.01965	1.2
191.05586	16.9
209.06635	0.9
233.05710	2.3
241.00237	1.0
324.99594	0.9
328.10486	23.4
329.09265	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	328.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	46.0
62.98220	2.0
64.58915	2.2
67.41246	2.3
69.95586	11.4
71.01378	46.1
72.99298	11.8
73.02942	6.3
74.02467	5.6
75.00869	13.0
78.95905	4.7
82.28263	2.2
83.01393	3.0
85.02953	7.6
87.00878	7.4
88.98817	2.9
89.02439	56.2
95.05002	2.1
96.95993	5.2
98.20695	2.2
100.04044	4.1
101.02454	15.4
103.96735	2.3
108.02171	6.8
111.00867	3.1
113.02468	18.0
114.05612	4.8
114.36040	1.9
116.07108	2.0
117.01983	2.3
118.05122	2.6
119.03496	11.5
121.02937	6.1
122.03732	9.0
123.04523	29.6
125.02450	2.8
129.01912	3.2
131.03453	3.7
134.04707	19.7
137.02422	6.3
143.03508	4.0
147.06593	3.6
148.04376	100.0
149.04547	42.0
152.01114	4.1
152.07178	4.4
161.04552	5.3
162.02249	2.2
167.03445	12.9
179.05672	10.0
284.12582	2.7
328.15173	3.4
329.05551	2.6
329.08936	4.8
329.12335	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	328.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60535	0.6
57.03442	0.8
59.01370	2.1
65.00331	0.6
65.23698	0.5
69.03440	0.7
71.01369	1.9
72.99331	0.6
73.93803	0.6
75.50552	0.7
79.95732	1.5
85.02951	1.7
89.02450	0.6
93.03453	0.8
95.42545	0.6
95.95222	1.5
96.96006	5.8
97.02920	0.6
98.19886	2.0
101.02483	1.0
102.61918	0.6
107.05012	1.9
108.02153	0.6
109.02927	1.0
111.00870	0.6
113.02419	0.8
116.73566	0.6
117.30840	0.6
121.02932	1.2
122.03718	1.7
123.04523	6.4
124.01663	1.3
129.01964	0.9
132.02139	0.9
133.02942	4.3
134.03726	14.8
135.04517	40.1
136.03941	0.9
136.04869	2.1
137.02411	1.2
138.97099	0.7
139.03983	3.1
143.35513	0.6
147.03433	0.6
147.04474	3.6
148.05295	45.1
149.04773	1.9
149.05995	7.4
150.03189	1.8
151.03961	1.6
151.06335	0.7
152.07152	11.7
153.01923	1.4
159.11160	0.6
160.01598	2.7
160.03992	1.1
161.02408	2.1
164.03561	0.6
165.05556	0.6
166.08650	1.0
169.05052	1.7
175.03961	6.0
176.03529	2.0
177.01901	0.7
177.04240	2.1
178.05074	36.1
179.05428	1.9
190.05064	12.8
191.05479	1.1
192.06682	0.7
195.02943	3.2
204.06644	1.4
205.45607	0.6
211.50204	0.7
232.61467	0.6
233.07516	6.4
241.00356	0.6
256.99615	1.0
285.07660	0.6
299.05215	0.6
303.54166	0.6
313.09564	1.5
328.11850	100.0
329.06610	8.0
329.11966	10.8
353.28952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2172
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01854	2.4
59.01362	5.6
69.69077	6.3
69.69511	7.4
70.42254	2.1
73.02929	6.1
97.06594	4.9
102.05587	7.4
112.05265	7.7
115.07656	6.1
127.11288	7.6
128.03526	5.0
129.09227	4.6
133.35698	2.3
155.10770	91.6
156.11115	6.3
168.91260	2.4
171.10258	60.9
172.10603	4.3
181.12294	2.4
185.11778	7.4
197.11797	8.3
199.16989	5.2
201.11223	2.8
291.19693	10.3
299.22131	4.0
302.71951	2.2
309.20731	37.4
310.20911	5.7
323.87753	2.0
327.05063	6.2
327.21741	100.0
327.25189	5.0
328.21893	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	327.2174
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
59.01369	20.5
61.98820	7.5
71.16799	13.3
81.03461	11.2
82.77383	7.0
83.05016	14.0
84.02151	8.0
89.75946	6.8
97.06567	17.7
99.08176	7.7
103.22973	8.0
104.30173	6.2
105.33550	5.3
113.09685	8.0
125.09708	26.8
127.11269	7.9
137.09720	73.7
139.11252	11.9
144.12961	7.1
153.09308	8.6
155.10724	35.0
168.91368	9.8
171.10251	100.0
173.11768	7.6
193.12247	9.2
197.11778	10.1
206.59694	7.1
209.11874	15.8
247.20653	10.1
249.54280	7.3
269.54135	7.0
291.19470	47.2
309.20694	12.1
327.05188	6.8
327.21616	64.4
327.24945	8.8
336.85651	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	327.2174
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.13929	1.3
57.03459	1.4
59.01366	2.0
63.50391	1.2
69.10748	1.7
69.95247	4.6
73.02946	4.2
80.02665	2.1
81.03458	1.6
83.05025	7.0
84.02164	2.4
92.78208	1.5
94.71556	1.5
95.05016	2.6
97.06569	3.6
112.05285	3.4
115.07633	2.6
125.09719	1.8
127.07606	2.0
127.11254	3.2
129.09216	15.6
134.90521	1.3
141.09215	8.3
152.75920	1.3
155.10782	33.9
163.11295	4.1
165.12859	6.3
171.10258	24.6
175.76692	1.4
181.12328	1.7
185.11835	27.5
197.11809	25.7
198.12206	2.3
207.04340	1.3
209.11823	100.0
210.12236	7.2
227.12868	17.1
238.02525	2.0
268.02771	2.4
283.04987	8.5
291.19641	12.8
309.20691	32.8
310.20972	4.4
312.02863	2.0
327.05014	2.9
327.21713	94.7
328.22095	9.8
347.31335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03424	1.0
69.03452	0.7
70.62537	2.0
76.00905	0.6
85.02955	4.2
95.05007	0.7
97.02935	0.6
97.06561	4.1
113.52750	0.6
125.09730	1.0
127.11231	1.7
149.11958	0.6
165.12851	1.1
167.14392	1.1
171.10272	8.4
177.12787	1.1
183.13893	4.8
185.11755	1.4
193.12299	1.7
209.11728	1.5
211.13362	21.5
212.13727	1.5
221.11713	2.9
229.14380	13.3
230.14729	1.0
239.12820	2.0
291.19647	2.8
298.10004	0.6
309.20517	1.1
327.21719	100.0
328.22107	11.0
340.47980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
58.00584	1.5
58.71117	0.5
59.01370	3.2
69.03448	0.6
70.47026	1.3
73.02929	0.4
83.04999	0.5
87.04504	2.3
88.88044	0.4
97.06567	1.6
98.19977	0.6
109.06586	1.3
111.08153	6.2
127.09888	0.5
137.09723	0.5
153.09267	0.8
169.12350	2.5
171.10281	2.2
172.10571	0.5
181.12274	2.3
182.15442	0.4
185.11771	0.6
193.12265	0.6
195.13882	1.7
197.11809	27.1
198.12286	2.1
199.13419	4.9
200.13655	0.7
201.11339	1.1
203.73477	0.5
209.11896	0.6
211.13474	4.0
221.15448	1.4
223.13411	0.7
227.12904	0.7
229.14426	0.8
235.14854	0.4
239.16490	15.8
240.16776	0.9
263.20029	0.5
273.18423	0.6
291.19641	4.5
309.20636	3.0
311.99005	0.7
327.01511	0.8
327.21722	100.0
328.22052	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	327.2173
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03428	1.4
58.00584	1.5
58.71117	0.5
59.01370	3.2
69.03448	0.6
70.47026	1.3
73.02929	0.4
83.04999	0.5
87.04504	2.3
88.88044	0.4
97.06567	1.6
98.19977	0.6
109.06586	1.3
111.08153	6.2
127.09888	0.5
137.09723	0.5
153.09267	0.8
169.12350	2.5
171.10281	2.2
172.10571	0.5
181.12274	2.3
182.15442	0.4
185.11771	0.6
193.12265	0.6
195.13882	1.7
197.11809	27.1
198.12286	2.1
199.13419	4.9
200.13655	0.7
201.11339	1.1
203.73477	0.5
209.11896	0.6
211.13474	4.0
221.15448	1.4
223.13411	0.7
227.12904	0.7
229.14426	0.8
235.14854	0.4
239.16490	15.8
240.16776	0.9
263.20029	0.5
273.18423	0.6
291.19641	4.5
309.20636	3.0
311.99005	0.7
327.01511	0.8
327.21722	100.0
328.22052	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	327.1234
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
59.01373	1.4
62.49400	0.7
69.56336	5.2
79.95724	0.9
80.97431	0.7
93.03468	2.9
96.95996	2.7
98.20682	1.6
109.02940	1.8
113.78197	0.9
119.05040	1.1
121.02944	16.4
129.02011	0.9
134.03763	2.9
135.04607	4.1
142.06566	1.4
146.03650	0.9
147.04526	5.2
148.05258	4.1
149.06012	0.8
150.05490	1.6
158.03729	2.3
159.04457	1.3
160.01643	1.3
161.02393	0.8
163.03981	3.4
171.04558	1.2
174.82068	0.9
175.02495	1.6
175.03978	19.4
175.63898	0.8
176.04555	1.3
177.04150	1.1
177.05582	2.3
178.05080	2.4
181.06465	1.1
187.03976	1.1
188.04675	1.3
190.06381	4.5
191.07033	1.3
195.08104	1.2
196.05284	1.3
196.65323	0.7
197.06001	1.7
199.07928	0.8
203.07072	1.7
204.06627	1.3
205.06732	1.3
209.06081	1.9
211.04024	1.0
211.07671	1.2
213.05511	1.0
221.06079	1.4
222.05145	5.8
223.07669	5.3
225.05571	3.2
233.06049	4.5
234.06821	1.2
235.07692	1.1
236.04718	1.3
237.05511	1.9
239.07118	6.0
240.04312	1.0
240.07817	1.6
241.05035	1.7
241.08612	2.3
249.05556	3.3
250.06290	3.6
251.07103	10.2
252.07668	1.2
253.05267	1.3
253.08711	2.3
254.05785	1.4
258.91449	1.0
261.05557	5.9
261.07919	0.9
262.06113	1.6
263.07065	1.9
264.04181	1.3
267.06570	8.7
268.07388	4.3
269.08145	18.7
270.08548	2.0
278.05713	1.6
278.09119	1.4
279.06604	18.8
280.07199	3.1
281.08414	1.4
282.08932	1.7
283.09583	4.6
284.02832	0.8
293.08429	1.1
294.08954	7.6
295.09503	1.9
296.07013	1.0
297.07654	79.7
297.11102	3.8
298.07928	7.3
309.11295	26.1
310.11621	2.4
311.09241	3.2
312.09995	50.9
313.10345	5.6
327.12347	100.0
328.12677	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	327.1081
Annotation	Androsin
Peak:m/z	Relative Intensity
54.53245	0.8
57.03432	2.7
58.00576	1.2
59.01375	36.1
61.98818	3.2
69.03448	1.9
69.27408	4.6
69.27834	3.5
71.01377	24.1
72.99311	4.1
73.02947	1.5
78.95896	4.2
79.95721	1.8
80.96504	1.1
83.01373	2.7
85.02948	9.4
87.00837	2.5
89.02438	20.2
89.12585	0.8
92.05024	3.2
92.53421	0.9
95.01366	1.4
96.96005	12.7
96.96939	3.2
97.02934	2.4
97.13193	0.8
99.00850	2.6
101.02431	13.8
103.05524	1.8
111.00832	2.3
113.02446	7.4
114.05578	2.1
115.03955	1.2
117.03440	1.0
119.03491	7.2
119.05005	5.8
123.04488	1.7
123.07658	0.9
129.01924	6.3
136.04031	30.5
143.03464	1.1
145.02907	3.9
146.03275	2.3
147.04510	100.0
148.04854	5.1
149.02399	0.8
161.04494	0.9
165.05550	15.3
182.10153	1.1
184.01988	1.4
191.05565	6.6
199.04291	1.7
238.98438	1.2
247.11835	1.0
253.52032	0.9
256.99640	1.9
309.55026	1.0
327.07376	10.2
327.10815	70.9
328.10876	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	327.1082
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01868	1.0
58.00591	1.6
59.01376	33.1
69.54565	1.8
69.54984	4.7
71.01376	19.3
72.99306	3.4
73.02899	1.2
75.00884	0.9
83.01388	2.0
85.02955	4.1
87.00896	1.9
89.02437	16.7
95.01369	1.5
95.19131	0.8
96.96014	10.3
101.02441	13.2
103.05515	2.0
113.02442	7.5
119.03493	8.6
119.04985	4.8
136.04041	2.7
147.04515	100.0
148.04842	4.5
153.01959	1.0
165.05560	13.9
179.15623	0.8
184.01984	2.9
199.04324	2.7
207.06525	0.9
241.45049	0.8
327.07449	6.2
327.10840	65.0
328.11142	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	327.0507
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
59.01385	1.0
65.00364	2.2
68.99857	1.2
70.76225	1.5
79.85442	0.6
80.99847	0.6
90.38115	0.5
98.19843	0.6
102.61416	0.6
121.11840	0.7
131.05035	0.8
141.03444	4.5
145.02963	0.6
147.04527	1.3
153.03461	0.6
157.02971	2.4
162.03290	0.9
167.05106	0.7
169.02937	38.3
170.03210	2.9
171.04538	1.3
172.01605	0.8
181.02960	1.2
183.04507	0.6
184.05315	2.0
185.02444	2.7
186.03209	1.1
187.03926	3.0
195.04424	0.7
196.01593	0.9
197.02435	9.8
197.04080	1.0
199.04041	1.2
200.01241	0.6
209.02419	3.3
209.11891	0.7
210.12216	0.9
211.02150	0.4
211.04001	16.0
212.04756	16.5
213.01930	6.2
213.05182	1.1
215.03569	1.2
225.01871	4.8
228.04277	4.0
229.04427	0.8
239.03470	2.7
240.00620	1.8
240.04239	2.2
241.01328	4.8
253.01338	3.5
255.03084	1.3
256.03741	9.2
260.03339	0.7
267.02991	2.0
268.00113	16.8
269.00769	8.3
283.02451	26.5
284.02966	5.0
295.02350	0.7
297.00391	18.5
298.00797	1.8
309.20367	1.3
311.01944	11.2
312.02719	100.0
313.03091	10.4
314.00568	1.2
327.05051	87.6
327.21695	2.1
328.05402	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	327.0506
Annotation	4,2'-Epoxy-7,4'-dihydroxy-5,5'-dimethoxy-3-phenylcoumarin
Peak:m/z	Relative Intensity
53.07954	0.6
59.56181	0.7
63.02400	1.5
65.00318	18.6
67.01883	5.2
68.99820	4.3
71.40236	0.7
71.61548	0.6
74.81161	0.6
77.00369	0.6
79.01886	2.6
83.01392	1.9
89.00313	2.4
91.01877	2.3
92.99820	1.1
95.01384	3.8
98.12840	0.6
107.01378	7.2
111.00871	2.7
123.00878	6.5
126.50072	0.6
131.93871	0.6
132.02182	4.5
133.02910	1.8
135.00900	1.4
147.04526	4.9
148.01640	0.7
149.99529	1.1
151.00339	6.1
155.10757	0.7
157.02930	0.8
163.03963	1.1
167.04788	0.7
171.04414	0.9
171.10260	6.0
172.01730	0.7
173.02359	0.9
176.98286	2.7
178.99840	26.4
180.00221	0.9
182.03662	1.4
183.04419	1.1
195.04475	0.8
198.03230	3.3
199.03955	1.6
200.01085	3.4
200.04704	0.7
201.01898	2.9
210.03113	1.7
211.03943	3.6
212.04707	2.9
213.05481	1.0
214.02673	0.8
215.03487	5.9
216.04152	1.0
225.05482	0.9
226.02582	2.1
227.03383	2.9
228.00630	1.3
228.04108	0.8
229.01288	0.8
237.01857	1.6
238.02591	0.8
239.03369	1.6
240.04248	2.5
241.04915	0.8
254.02171	5.6
255.02841	3.4
256.03674	2.2
266.02267	1.4
269.04544	1.0
282.01620	1.0
283.02448	3.9
284.03198	9.5
297.04010	1.4
298.04962	1.4
299.02179	1.0
299.05563	4.8
311.01953	1.1
312.02707	6.6
313.03079	1.4
325.03253	0.7
327.05045	100.0
327.22003	2.7
328.01584	0.4
328.05392	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	327.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47478	0.3
58.49358	0.3
59.01366	0.6
64.11943	0.3
69.43046	2.3
69.43452	0.7
71.01370	0.5
79.95731	1.4
85.02943	0.8
95.95239	0.4
96.96005	100.0
97.95982	0.6
101.02455	0.5
114.61917	0.3
121.69287	0.4
143.62726	0.3
154.12045	0.3
169.59602	0.3
184.01956	0.5
199.04361	0.8
256.99716	6.6
258.00204	0.5
327.07516	69.7
328.07788	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	327.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07484	0.9
59.01370	2.4
65.00349	1.1
69.87878	3.7
71.01374	0.9
89.00938	1.0
92.99815	1.2
95.01353	1.4
109.71280	1.1
113.09722	1.1
123.00865	2.1
123.70990	0.9
125.09750	2.4
131.83197	0.9
133.02907	3.2
137.14462	0.9
145.02878	1.3
148.01817	1.0
149.99548	1.4
156.03455	1.1
157.02911	3.2
168.91365	1.1
169.02884	1.1
170.03717	2.1
171.10243	4.7
172.01672	1.2
173.02380	1.8
182.03683	3.5
183.10425	0.9
185.02438	2.1
186.03171	1.6
197.02367	1.7
197.11823	2.6
198.03172	4.4
200.01134	5.5
201.01918	7.4
201.11270	2.6
209.11754	1.1
210.03218	3.7
211.03966	2.3
211.13422	1.2
213.11324	1.4
214.02803	1.1
222.03114	1.1
223.03595	1.1
225.02029	1.5
226.02689	6.7
227.03369	2.5
228.00621	8.0
229.01271	3.4
237.01959	2.6
238.02603	4.8
239.03374	1.6
239.20103	2.2
240.04173	1.8
241.01410	1.1
253.01425	2.1
254.02162	26.7
255.02922	13.0
256.03595	2.9
265.01489	2.8
266.02155	60.1
267.02484	8.1
282.01590	1.5
283.02466	14.2
284.03091	3.1
291.19696	1.8
294.01651	49.3
295.01987	5.7
308.18878	1.0
309.03983	71.6
309.20688	2.8
310.04431	7.9
311.01950	9.4
311.98999	1.5
312.02701	58.3
313.03101	5.4
327.05038	100.0
327.18228	1.4
327.21686	36.6
328.05396	11.5
328.22131	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.217
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01389	2.3
61.51896	0.4
61.98835	1.0
70.76752	1.2
76.27766	0.5
79.95758	1.5
105.43450	0.6
119.05013	1.0
134.44229	0.5
135.14604	0.5
141.09067	0.5
149.09711	69.2
150.10042	5.2
163.11272	72.9
164.11591	4.8
170.00409	0.8
183.01189	39.7
184.01938	7.7
197.02721	1.4
216.00943	3.3
225.05859	0.6
239.07402	0.7
276.00394	0.6
325.18222	100.0
325.21649	64.8
325.26862	3.5
326.18539	11.3
326.21976	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01374	12.6
70.52580	4.2
70.82629	1.2
83.05002	2.0
83.18554	1.3
85.44350	1.3
110.42879	1.3
121.10214	4.3
123.08168	2.7
127.11234	1.6
128.49049	1.2
131.20827	1.3
137.68552	1.3
139.11270	18.5
151.11246	10.2
165.12866	2.5
171.10258	28.1
172.10561	1.9
177.12798	6.1
183.01169	3.4
183.10147	6.5
197.02753	3.7
238.38348	1.5
275.20184	9.8
293.21207	12.8
297.71094	1.5
307.19229	2.7
307.22702	21.8
308.23114	2.8
325.18167	14.0
325.23782	100.0
326.24139	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	326.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.8
61.98827	0.8
69.95873	0.3
70.56297	1.2
71.01379	1.0
73.52184	0.3
74.02473	0.5
75.00871	0.4
78.95889	0.5
80.65585	0.3
86.05269	0.3
87.00874	0.8
89.02446	0.5
91.05635	0.3
91.06797	0.3
92.02521	0.4
92.23595	0.3
96.95986	0.4
101.02410	0.3
107.03626	1.8
113.02445	0.6
121.02975	0.5
134.04723	100.0
135.05159	3.0
146.02472	1.3
149.02429	4.5
149.50696	0.4
150.03218	3.8
162.05588	0.3
163.02737	0.4
164.03517	1.8
164.04825	1.4
165.05560	4.3
165.06880	0.5
200.28378	0.3
206.04669	0.3
232.52721	0.3
266.08890	3.2
326.08621	0.6
327.09256	0.9
337.55774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31867	0.6
59.01381	1.3
65.00324	1.5
69.10989	0.7
73.97431	0.7
89.00320	2.5
96.96002	2.0
119.24192	0.7
121.02921	0.9
123.00809	0.7
124.30443	0.7
135.04433	0.7
139.05478	0.8
143.04977	0.8
145.02921	2.0
147.00851	1.1
149.02443	9.1
150.02759	0.8
155.04962	0.8
157.02863	1.0
159.04538	5.5
165.01981	1.2
167.04991	1.8
169.02869	1.0
171.03217	0.7
171.04489	3.3
172.01671	0.8
173.02423	71.4
174.02744	4.3
176.03574	1.2
181.02921	1.9
182.03589	0.9
183.04480	8.5
185.02446	2.3
190.05164	0.7
195.04468	1.7
197.02477	5.2
199.03961	2.8
209.02409	4.2
210.03253	0.8
211.03995	7.1
213.01892	1.7
215.03464	8.5
225.01953	3.2
227.03488	32.9
228.03784	3.0
237.01915	2.8
238.02631	4.1
239.03508	11.5
240.03766	1.2
241.01414	8.1
242.01767	0.7
253.01382	5.9
254.01781	1.2
255.02953	40.1
256.03302	2.8
265.01328	7.1
266.02109	4.5
281.00925	2.9
282.01614	2.4
283.02454	78.7
284.02835	8.1
309.00388	32.2
309.04001	1.4
310.00540	3.5
311.11398	1.6
312.12027	4.6
327.01431	100.0
327.14471	4.9
327.21695	4.4
328.01733	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35683	1.2
59.01365	2.2
68.21561	1.3
68.99826	1.1
70.16844	1.1
70.89343	3.0
71.01398	1.2
79.22388	1.1
95.01391	2.4
125.09700	2.6
127.11245	2.0
133.02910	5.1
155.10765	1.4
157.02872	2.1
171.10222	5.8
173.02370	1.3
182.03709	2.7
183.04498	1.8
185.02399	1.5
187.32866	1.4
197.02333	1.3
197.11729	2.7
198.03212	4.6
199.03897	1.3
200.01132	4.6
201.01985	8.6
201.11368	1.9
210.03154	4.1
211.04021	2.9
213.01878	1.7
222.03131	1.4
226.02632	6.7
227.03439	2.9
228.00577	9.2
229.01305	5.1
237.01865	2.4
238.02621	4.9
239.03265	3.2
240.04094	1.6
254.02180	27.0
255.02858	11.5
265.01373	3.1
266.02151	61.1
267.02664	5.5
282.01682	2.1
283.02475	14.5
284.02878	2.9
291.19797	1.4
294.01666	49.3
295.01898	3.9
309.03998	62.4
309.20837	1.5
310.04449	6.7
311.01965	8.5
312.02716	59.7
313.03070	5.0
327.05032	100.0
327.15738	3.6
327.21707	38.2
328.05328	11.2
328.22168	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.75431	1.7
57.03183	1.5
57.03444	17.3
59.01378	7.7
71.00636	1.9
71.00977	2.9
71.01383	2.8
71.05013	6.7
80.02640	2.6
81.03465	1.7
83.05020	6.0
84.02200	1.6
87.04476	2.7
91.05512	2.0
95.05020	3.4
97.02933	4.9
97.06585	5.8
107.05010	1.8
109.06585	28.0
111.04509	3.9
111.82311	1.5
125.06123	2.3
125.09723	2.6
127.07613	5.1
128.58109	1.7
130.08749	1.9
149.09634	2.1
151.11295	3.8
153.09219	2.4
163.11292	2.9
166.85944	1.5
167.10760	3.9
169.12314	4.4
171.10201	3.8
177.12822	3.3
181.12415	3.4
183.13829	1.7
185.87614	1.6
193.12328	3.1
193.16039	2.0
193.72610	1.4
195.13852	6.3
197.11829	35.0
198.12204	1.9
199.13322	2.2
205.16026	1.5
209.11836	8.2
211.13394	28.0
224.19664	1.5
227.12834	4.8
235.13347	4.7
237.14948	100.0
238.15335	9.9
239.12779	2.1
245.18964	2.6
249.14980	4.3
267.15643	2.0
271.17157	2.1
289.18060	50.2
290.18417	6.6
307.19083	12.5
325.20169	66.5
325.24026	3.3
326.20499	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	325.0927
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
56.21728	0.4
57.98786	0.3
59.01376	1.5
61.98827	3.2
69.56403	2.4
69.56813	0.8
71.01404	0.6
85.32381	0.4
85.82382	0.4
86.83909	0.4
89.02475	0.4
93.03441	0.6
96.96030	0.8
98.20586	0.9
104.03541	0.6
114.05597	1.1
117.03448	2.0
119.05020	100.0
120.05363	5.1
129.12273	0.4
145.02943	9.7
145.82626	0.4
146.03326	0.7
163.04001	80.6
164.04343	3.8
166.72452	0.4
187.03909	0.5
255.47273	0.4
295.06030	0.7
325.09457	1.7
325.13837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40792	0.5
57.03442	1.9
59.01373	2.9
68.66458	0.5
68.99825	0.8
69.03452	0.8
69.56858	3.3
71.01377	16.0
72.99297	1.2
73.02963	0.6
78.95926	0.8
80.20992	0.6
83.01350	0.8
84.44966	0.5
85.02944	6.2
87.00870	12.9
87.04504	2.3
89.02424	4.2
92.50961	0.5
97.02946	1.6
98.19849	0.8
99.00858	2.6
103.39835	0.5
111.00854	1.1
113.02392	1.0
115.04008	1.5
129.01936	8.3
133.05057	100.0
134.04710	2.2
134.05534	1.0
141.01901	1.3
159.02986	1.4
164.03465	0.8
164.82611	0.5
191.05594	14.0
325.11371	12.3
326.11719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2016
Annotation	Plakortenone
Peak:m/z	Relative Intensity
56.01693	1.0
57.03436	1.4
59.01378	7.8
61.98824	1.1
63.96222	5.2
71.01393	1.3
103.20524	1.1
121.02973	4.7
122.03744	5.5
123.08141	1.3
125.09718	2.4
131.38934	1.1
135.04471	1.1
136.05290	2.9
146.40811	1.1
164.08507	1.6
167.14430	8.4
168.04265	1.7
171.10280	1.8
177.09564	3.7
183.01241	1.6
193.16003	4.4
201.11362	1.7
207.17621	3.7
231.17583	2.8
233.15529	1.4
247.17203	1.1
249.18568	40.2
250.18979	3.0
252.31905	1.1
275.13513	1.4
275.16501	28.6
276.16776	3.3
281.21207	8.4
293.17569	100.0
294.17990	11.4
307.19104	6.4
325.20264	87.9
325.23813	8.3
326.20523	10.8
326.23935	1.7
338.60449	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
52.52877	2.5
57.03442	3.2
59.01377	16.0
61.98821	2.9
69.81266	15.3
71.05013	7.2
73.02953	3.4
83.04974	3.1
85.02923	4.1
92.84042	2.6
97.06580	6.2
98.19955	5.1
99.08180	5.0
111.08218	2.8
121.02921	6.1
122.03750	8.5
125.09690	11.4
135.04553	3.3
137.09714	5.8
165.12837	7.1
167.14377	50.8
178.10051	3.7
183.01190	4.3
193.15961	27.8
194.26463	2.7
207.17529	36.6
209.11827	24.3
249.18558	86.1
250.18884	5.5
275.16541	15.2
281.18265	4.6
281.21185	61.0
282.21558	3.2
289.18048	5.8
293.17538	21.9
307.19144	100.0
308.19644	14.0
311.11658	3.4
325.20370	73.6
325.23849	11.5
326.20535	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	325.2016
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03432	2.1
59.01376	10.2
61.75377	1.3
64.96840	1.4
67.31804	1.4
68.94683	1.7
70.91337	1.1
71.01357	1.5
71.79182	1.3
73.02921	1.3
80.02675	2.3
81.03434	1.5
83.05012	5.0
84.02151	2.1
91.98135	1.4
95.05017	1.6
95.88294	1.3
97.06565	5.0
111.08047	1.6
115.07600	2.9
125.09714	22.8
134.15367	1.2
135.04480	1.3
135.08173	2.0
137.09720	12.4
148.89610	1.3
151.11234	1.4
153.09183	15.9
155.10774	7.2
163.11261	4.5
165.12781	3.0
171.10220	8.9
178.09935	4.0
183.01183	1.7
191.10799	1.7
209.11819	52.8
210.12076	4.4
227.12840	2.0
263.20200	2.2
279.19537	2.3
281.21240	1.7
289.18011	4.5
307.19125	100.0
308.19330	9.0
311.01395	1.2
325.14795	1.4
325.20044	11.6
325.23737	2.2
326.20432	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.5
59.01379	7.6
63.04430	0.5
71.01402	0.6
71.28519	1.2
85.06592	2.7
92.34039	0.5
96.96000	1.8
97.06533	0.6
98.20621	0.6
120.59686	0.5
139.11348	0.7
151.11322	0.9
167.85735	0.5
171.10274	3.4
178.48312	0.5
193.15996	2.2
209.15491	1.2
220.14613	1.7
221.15379	0.5
237.14943	19.0
238.15282	2.0
245.52620	0.6
265.14816	1.7
291.19620	0.6
305.21097	3.7
321.20615	0.7
323.22241	100.0
324.22610	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	324.0721
Annotation	Midazolam
Peak:m/z	Relative Intensity
59.01374	8.8
60.43300	0.8
61.98809	2.2
68.99812	70.6
69.04738	0.9
69.76453	0.8
71.01367	3.9
71.33134	2.1
74.95012	0.8
83.01393	1.2
85.02958	1.8
89.02436	3.0
90.02779	1.3
96.95998	1.7
96.99303	60.1
97.99662	1.3
101.02446	1.1
102.91765	0.8
113.02386	1.1
114.05548	1.5
116.07211	1.0
119.05019	31.2
120.00900	8.7
121.01212	0.9
123.04499	1.2
130.08704	1.0
130.51019	0.8
131.07155	1.5
132.07440	1.1
135.04480	1.4
148.00386	33.8
149.01157	2.7
150.01962	2.1
161.02379	0.9
162.01913	4.6
163.02719	36.7
163.04010	27.0
164.03481	6.3
178.01447	2.2
178.05083	43.0
179.05383	2.2
180.06622	3.6
190.01416	2.5
191.02213	4.6
205.03813	3.0
206.00943	3.4
206.04556	2.3
218.00891	1.1
221.03282	1.8
224.05620	1.0
232.02449	1.1
233.03256	3.6
234.00444	1.3
234.04037	3.1
236.05589	8.3
237.05885	1.1
249.02724	1.1
264.05099	43.2
265.05405	3.2
275.77847	0.9
309.04926	4.8
310.05457	0.9
324.07214	100.0
324.13779	6.4
325.07227	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	324.2178
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
51.73632	0.2
57.03435	1.2
58.02961	0.5
59.01372	0.8
63.70255	0.2
69.94501	1.3
71.05038	0.4
83.05016	0.6
95.05032	0.4
96.96023	0.6
97.02998	0.3
97.06595	0.4
109.06586	1.2
113.78273	0.2
128.10815	1.8
130.08723	100.0
131.09093	2.7
147.67763	0.3
154.12413	0.3
165.12793	0.9
167.10814	0.5
193.25586	0.2
195.13908	0.3
197.11845	1.2
201.11336	0.7
211.13354	1.6
237.14919	9.2
245.18941	0.3
262.21643	0.7
289.18057	6.1
307.19113	1.2
324.21747	53.3
325.22018	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	325.0351
Annotation	Boeravinone F
Peak:m/z	Relative Intensity
55.74524	0.5
57.37922	0.4
57.40687	0.4
59.59815	0.4
62.54834	0.5
65.00315	0.6
66.12172	0.5
68.72627	0.5
70.36129	0.5
70.36484	1.7
89.00317	3.1
91.01900	0.9
92.42213	0.4
94.79568	0.5
106.00622	1.4
121.02949	9.1
130.04181	0.5
157.02937	12.6
158.03462	0.7
167.17035	0.5
172.06404	0.5
181.02982	0.6
182.03716	6.2
185.02460	1.1
194.03680	9.0
195.04176	0.5
198.03157	0.7
207.04486	4.9
209.02422	6.3
210.03204	12.5
211.03598	1.0
222.03146	1.5
223.13322	0.7
237.01909	17.1
238.02675	15.7
239.03006	1.5
251.03479	0.9
253.01314	0.5
265.01434	1.0
266.02176	41.5
267.02597	4.2
281.04529	100.0
282.01682	1.1
282.04800	9.5
310.40103	0.5
325.03555	0.9
325.20224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03446	14.9
57.42132	0.8
59.01379	14.1
69.03423	1.1
71.05021	10.4
71.18585	1.2
71.18919	1.9
81.03442	2.7
83.01370	2.7
83.05022	5.4
84.02188	2.3
85.02938	4.2
85.06614	1.4
88.95213	1.0
93.03465	1.4
95.05028	10.6
97.06592	2.1
99.04491	1.6
101.06079	2.8
106.04234	1.6
107.04996	1.6
109.02946	1.4
109.06602	6.8
111.08154	1.4
113.02448	1.0
113.06079	7.8
119.05083	1.0
121.06580	2.2
123.08204	1.1
125.06078	1.1
125.09678	2.8
133.90231	1.1
135.08162	3.4
147.04512	1.4
147.08156	1.8
151.07597	1.1
163.11264	1.3
163.29936	0.8
165.09204	3.0
167.10748	2.5
171.10295	1.7
177.12819	5.0
179.10765	2.4
185.11789	1.9
189.12825	5.7
193.15895	2.2
195.13866	4.8
203.10728	3.5
205.15976	2.7
209.11845	10.5
219.14014	1.2
221.11729	3.0
231.13879	1.6
233.11742	1.6
237.14943	100.0
238.15279	6.4
243.17465	4.7
249.14897	3.7
253.22444	1.1
260.53799	1.2
265.14420	1.7
275.05450	1.0
287.16513	32.0
288.16769	3.9
305.17557	43.4
306.17825	4.3
323.18658	10.3
324.18735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	24.0
60.51689	0.9
61.98843	1.2
63.60683	1.0
71.62855	1.2
72.84740	0.7
125.31033	1.0
134.15044	0.9
154.86255	0.9
159.79222	1.0
182.80003	1.0
241.21713	100.0
242.22009	7.8
323.22025	26.4
323.29395	0.9
324.22421	2.0
338.28485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.7
70.76105	0.8
70.76463	1.3
96.96009	1.0
97.06499	0.5
109.86183	0.5
121.02915	0.7
123.04455	0.8
137.06017	1.2
137.09695	0.8
148.91426	0.5
161.04469	0.8
165.09149	2.0
165.12802	1.7
167.14287	0.7
180.84412	0.5
191.14392	0.8
198.08871	0.6
225.14935	0.6
261.22177	4.4
262.22592	0.6
263.11484	0.8
287.19958	0.9
296.82541	0.6
305.21185	100.0
306.21552	12.4
323.22241	21.7
324.12573	0.5
324.22656	2.1
335.72885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04150	0.9
55.10899	0.9
58.00579	3.4
59.01375	73.0
60.01703	1.3
60.93872	0.9
65.26400	0.8
69.60912	1.0
71.01377	41.2
71.07806	2.0
72.99295	3.0
73.69672	0.8
83.01384	2.2
85.02950	9.6
87.00871	1.7
89.02438	45.3
92.23374	1.2
95.01366	2.8
96.96025	2.6
98.95589	2.1
101.02435	26.8
112.98740	1.0
113.02443	16.2
116.07217	1.3
119.03487	19.5
131.03529	1.4
143.03506	2.2
143.07103	1.2
145.51860	1.0
149.04561	1.2
161.04547	1.5
161.08195	1.0
179.03476	1.6
179.05586	3.0
194.05817	2.6
209.08167	4.2
220.97711	1.1
232.68884	0.9
236.72479	1.0
323.13440	100.0
324.13596	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	323.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.53629	0.7
55.84878	0.7
56.98402	0.7
57.03442	2.2
58.00586	4.0
59.01375	96.8
60.01706	1.1
61.59998	0.7
68.99817	1.6
71.01376	50.4
71.61319	1.0
72.01714	0.9
72.99313	5.1
73.02942	7.6
74.68453	0.8
75.00842	1.2
78.95896	29.0
81.03452	1.0
83.01365	2.1
85.02942	16.0
87.00870	5.1
87.04514	3.2
87.92526	2.2
89.02438	53.0
95.01385	4.1
96.95998	2.0
96.96942	8.2
96.99303	2.6
99.00867	3.9
99.04510	2.4
101.02433	33.9
102.02798	0.9
103.92040	2.3
104.92823	0.9
111.00833	2.1
111.01987	10.7
112.98737	1.2
113.01682	1.7
113.02439	20.1
115.00391	1.3
117.01945	4.0
119.02628	1.4
119.03491	25.4
120.96950	3.9
125.02502	0.7
129.01936	2.5
130.08734	1.6
131.03500	8.4
131.07106	1.8
134.27684	0.7
142.99849	3.9
143.03506	7.7
143.05379	0.9
143.07210	1.8
148.00427	1.2
149.04559	5.5
161.00851	1.3
161.04599	4.2
179.05647	3.9
191.05635	1.1
202.92307	1.2
209.06645	10.4
211.00114	56.6
212.00484	2.7
234.18541	1.0
264.05191	1.9
322.96347	1.1
323.02792	2.8
323.10037	4.3
323.13425	100.0
324.07288	2.9
324.13837	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	321.2431
Annotation	Austroinulin
Peak:m/z	Relative Intensity
58.00591	6.1
59.01375	25.8
69.35941	1.4
71.01380	7.7
71.62566	2.3
71.62937	1.8
73.02946	30.1
78.95902	13.4
85.02953	4.2
90.80885	1.4
97.06606	2.6
109.06620	1.6
125.06087	4.7
139.07689	4.5
146.92610	1.7
153.49742	1.4
155.14394	2.7
204.34297	1.4
248.02946	1.5
257.22781	2.8
263.23914	9.2
265.25339	3.6
275.23834	12.8
283.69351	1.5
293.24811	36.9
294.25204	5.0
303.23007	1.7
321.24380	100.0
322.24643	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	323.0283
Annotation	Uridine 2'-phosphate
Peak:m/z	Relative Intensity
57.03442	0.5
59.01376	7.2
62.96405	1.4
70.43343	1.7
71.01386	3.7
73.02939	0.5
74.83346	0.5
78.91880	0.7
78.95897	50.0
85.02943	1.0
87.00880	0.7
89.02420	2.5
95.01398	0.5
96.96008	1.2
96.96954	13.8
99.04506	0.7
101.02431	1.7
111.01991	21.8
113.02479	0.6
119.03530	0.8
120.96952	5.8
125.02531	0.5
130.08730	33.4
131.08997	0.7
141.15834	0.5
142.99826	0.7
143.03523	0.5
145.41815	0.6
161.04541	0.8
162.05614	0.8
179.05585	0.9
180.06622	0.8
211.00114	100.0
212.00461	3.3
264.10922	0.8
287.09103	0.6
323.02777	5.2
323.09866	1.1
323.13464	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	323.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.8
58.00578	2.7
59.01374	100.0
68.99809	2.1
71.01380	43.4
71.21471	1.8
72.99303	7.9
73.02942	97.8
74.03264	1.7
75.00864	14.9
78.95898	23.2
83.01396	1.7
85.02944	25.9
87.00873	10.3
89.02433	34.0
95.01371	6.3
96.95992	4.7
96.96951	5.1
99.00861	10.1
101.02432	18.3
103.00318	1.6
104.24926	1.1
110.03591	1.6
111.00851	1.9
111.02007	12.3
113.02439	33.2
115.00323	1.8
115.07680	1.1
117.01936	3.2
119.03477	14.0
120.96966	1.7
129.01933	3.2
131.03461	3.7
134.04732	10.2
138.60835	1.2
143.03447	3.2
143.06078	1.6
143.07121	12.3
149.04555	1.3
150.30211	1.1
161.04575	4.9
174.97972	2.0
175.02444	2.5
179.05585	4.2
209.06671	2.6
211.00102	30.9
249.06137	10.3
263.11237	4.5
305.08630	2.4
311.87244	1.2
312.02600	1.2
323.09753	66.6
323.13443	50.8
323.16400	1.6
323.17450	2.1
324.10126	5.4
324.13736	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	321.0977
Annotation	Luisol A
Peak:m/z	Relative Intensity
50.96812	0.3
51.12530	0.3
51.76889	0.4
55.01889	0.8
56.66677	0.3
57.03415	0.4
59.01377	4.9
59.38929	0.3
61.67706	0.3
66.78146	0.3
67.01887	1.2
67.43291	0.3
68.99835	1.1
69.03463	0.5
69.34527	2.8
71.01376	4.0
73.02957	0.4
75.00885	0.7
79.95746	0.5
83.01381	2.2
85.02973	2.2
87.00881	0.5
89.02445	1.0
90.55411	0.3
95.01392	1.3
96.96001	1.8
98.20596	0.5
98.95526	0.3
99.00878	100.0
100.01204	2.2
101.02448	0.6
108.47534	0.3
111.00893	1.7
113.02448	8.6
115.00386	0.6
119.03535	0.5
129.01886	0.5
139.00362	3.8
141.09253	0.3
157.01414	58.4
158.01747	1.9
187.02496	0.6
206.79158	0.4
256.99637	0.4
321.09750	44.8
322.10187	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	321.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99213	0.4
55.01867	0.8
56.01829	0.3
56.80763	0.3
57.22744	0.3
58.93054	0.3
59.01376	31.8
60.36256	0.4
67.01878	0.7
68.99815	0.5
69.03455	0.6
69.76115	1.6
70.65927	0.4
71.01377	4.1
71.08971	0.3
72.99306	0.9
73.02943	0.5
75.00866	0.8
79.95728	0.5
83.01385	1.8
85.02938	2.6
87.00887	0.4
89.56469	0.3
95.01387	1.6
96.95987	2.4
98.20634	0.6
99.00874	100.0
100.01221	2.4
100.05287	0.3
101.02436	0.8
102.44090	0.3
111.00867	1.8
113.02444	7.9
115.00358	0.8
119.03542	0.5
129.01900	0.7
131.04597	0.4
139.00346	3.1
145.01334	0.4
157.01411	58.0
158.01736	2.0
169.34782	0.4
202.01445	0.3
206.01811	0.4
261.13403	0.7
291.09839	0.4
321.09753	52.0
322.10132	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	321.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01699	1.1
69.40658	0.9
69.41068	3.3
71.01372	2.5
75.00846	0.7
83.01323	0.4
83.05833	0.4
89.02435	3.2
91.66075	0.5
95.01402	0.5
96.96053	0.5
98.18353	0.5
100.63843	0.5
101.02461	1.1
113.02471	1.9
119.03518	1.3
122.39741	0.4
124.21348	0.5
129.76112	0.4
130.06645	0.8
174.05667	0.8
179.05688	0.7
190.05106	0.6
201.11343	0.5
207.45642	0.5
218.32042	0.5
225.08841	0.5
230.44048	0.5
234.85329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02351	0.7
57.48288	0.7
59.01374	25.0
71.33719	1.1
81.48327	0.7
180.72008	0.7
203.71251	0.8
221.19122	0.9
239.20143	100.0
240.20485	8.2
244.53635	0.7
312.14117	0.8
321.20441	18.9
322.20807	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	321.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	29.2
61.98820	2.5
69.41446	8.2
71.09660	1.0
82.40553	0.9
89.97923	1.1
96.96049	1.6
103.56915	1.0
107.90919	1.0
124.88351	1.0
174.33926	0.9
227.20230	1.2
237.59225	1.1
239.20143	100.0
240.20483	10.2
321.20450	25.8
321.23932	0.7
322.20837	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	321.2432
Annotation	(8alpha,13E)-8,15-Dihydroxy-13-labden-19-al
Peak:m/z	Relative Intensity
58.00588	7.5
59.01377	20.8
61.56239	1.2
69.61983	7.9
71.01375	4.4
71.46597	1.0
72.99308	2.6
73.02944	24.9
78.95895	6.2
83.05026	1.6
84.02148	1.7
85.02958	1.5
86.00104	1.1
90.40958	1.1
90.93797	1.0
97.06574	2.5
97.85318	1.0
100.01692	1.4
100.63316	1.1
111.08154	1.6
125.06055	5.1
139.07680	2.4
141.01707	1.8
155.14403	3.4
176.53561	1.1
188.62337	1.1
257.22650	1.7
261.22141	1.3
263.23779	8.6
265.25381	4.3
275.23798	12.5
291.23291	2.7
293.24832	39.0
294.25140	5.1
303.23373	1.9
321.24329	100.0
322.24588	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	321.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28803	0.2
59.01376	6.1
69.95860	1.0
71.01380	0.4
74.99097	0.3
79.95727	1.4
82.14395	0.3
89.02443	0.2
96.96004	100.0
97.95967	0.4
112.09854	0.2
120.99633	0.4
136.52473	0.2
136.99217	0.3
141.07468	0.2
144.72148	0.3
179.10774	0.8
197.11794	4.1
200.05734	0.2
223.92975	0.2
233.08405	0.3
241.10783	2.3
297.63492	0.2
321.06476	26.5
321.10022	1.4
322.06815	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	321.0825
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01871	1.2
57.03442	4.2
58.02969	1.1
59.01374	9.7
60.05093	0.7
60.76455	0.6
67.03010	1.7
69.03458	6.1
69.95712	0.7
71.01383	17.4
72.99288	1.4
73.02942	11.9
74.02464	0.7
75.00841	0.8
78.95899	57.1
83.01372	3.3
85.02428	1.3
85.02950	27.7
86.03255	0.9
87.00869	100.0
88.01199	1.8
89.02441	2.4
95.01378	5.1
96.94677	0.7
96.96011	12.1
96.96951	18.8
97.02946	24.5
98.02473	1.8
99.00864	2.6
100.04042	1.0
101.02431	2.1
103.04008	10.6
110.03604	9.3
110.98537	1.6
111.00858	1.8
111.01990	3.1
112.98810	2.0
113.02439	9.4
115.00362	11.9
115.03998	1.5
116.07159	1.0
119.03481	1.2
120.96944	3.8
121.03023	0.7
123.51070	0.7
128.03522	1.2
128.07196	0.8
129.01979	1.6
130.08722	2.2
136.99089	0.7
139.00430	0.8
141.01944	1.6
141.05659	0.8
142.05103	2.0
142.99818	1.1
146.93396	1.7
148.04311	1.0
157.01430	7.7
160.06140	2.6
164.89539	1.7
175.02455	45.6
176.02774	0.9
180.06628	1.9
204.42567	0.8
211.00108	53.9
217.03490	17.0
231.05014	0.9
249.04704	1.2
253.37840	0.7
303.07202	5.7
321.08084	2.3
321.12497	2.3
322.04398	9.9
322.07712	1.6
322.11331	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	319.1393
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
50.64169	1.5
59.01373	64.8
59.01671	3.5
60.45796	1.3
69.53999	10.4
69.54389	2.5
71.01375	34.3
72.99290	2.1
73.02914	2.2
76.48891	1.4
85.02934	5.9
87.00832	1.6
89.02434	31.2
95.01362	2.5
98.19868	2.7
101.02438	21.6
103.18539	1.5
106.87885	1.7
113.02418	11.6
118.25910	1.5
119.03512	12.1
139.07628	16.0
178.96078	1.6
319.13943	100.0
320.14197	8.9
325.72134	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	319.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	5.7
59.01372	6.7
66.03461	1.0
67.85673	0.9
69.74335	4.0
71.01379	2.7
72.00892	4.4
73.02947	1.1
79.95735	5.6
80.96480	1.3
82.06619	2.2
85.02923	1.7
91.05525	7.1
96.95992	6.9
98.19954	1.6
103.73219	0.9
112.07664	3.7
118.06609	2.3
126.09240	1.2
129.10327	69.9
130.10674	1.0
147.04491	23.6
153.10332	3.1
154.08755	9.6
164.07146	56.9
165.07559	1.9
165.99048	2.4
171.11375	47.6
172.11673	2.2
182.46997	1.1
184.00117	4.0
199.02467	3.0
216.13893	1.6
233.16560	34.1
234.16852	2.7
275.17715	6.4
277.15549	3.8
298.12512	1.7
319.16571	100.0
320.16913	9.8
324.18628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87204	1.3
57.03442	2.2
58.00583	3.5
59.01130	1.5
59.01382	13.1
61.98796	1.3
71.01363	4.1
71.59513	1.6
71.62564	2.1
71.97616	1.2
73.02943	20.4
73.18354	1.1
83.05019	1.8
84.02106	1.6
85.02943	2.6
97.06577	1.3
102.41949	1.2
113.06109	1.3
125.06076	2.2
127.11295	1.8
139.07645	3.3
208.44899	1.5
221.20915	1.5
255.21140	1.5
259.20560	2.0
261.22238	2.2
263.23898	2.4
273.22070	11.1
291.23306	19.6
292.23669	2.5
319.22742	100.0
320.23141	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46544	0.7
59.01366	2.3
66.87778	0.6
71.62762	0.8
73.02943	1.0
81.03442	2.5
121.13454	0.6
122.03767	1.0
155.21478	0.5
159.19911	0.6
169.33771	0.6
174.42456	0.6
249.22351	1.5
256.45471	0.6
259.20734	1.0
273.22357	0.9
277.21658	2.9
278.22064	0.9
317.20911	5.0
318.21567	0.7
319.22736	100.0
320.19583	1.0
320.23102	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	319.2639
Annotation	Adipostatin B
Peak:m/z	Relative Intensity
50.19651	0.5
54.08026	0.6
61.38411	0.5
69.31911	1.5
69.32324	3.6
72.96305	0.5
79.05527	1.3
80.31893	0.5
81.03450	5.4
84.74167	0.5
87.15465	0.5
122.03737	2.0
211.05295	0.5
275.27478	1.9
277.25345	11.7
278.25681	1.3
319.26385	100.0
320.26736	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	317.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35521	24.3
61.98804	59.6
66.68933	25.0
67.06989	38.9
70.43399	100.0
72.69375	26.4
98.20464	29.1
163.09134	27.6
170.18416	29.3
249.45346	27.0
284.53934	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.3
59.01377	10.9
61.73030	1.8
70.80258	1.7
70.93816	1.6
71.01376	36.7
71.63205	2.0
85.02945	11.3
89.02417	3.8
96.96010	12.6
96.99305	17.2
98.02460	3.9
99.00902	1.9
101.02435	6.4
109.01697	3.7
109.06583	1.8
110.02466	4.4
111.08134	6.2
113.02443	3.8
114.01974	5.1
115.00384	1.8
116.05042	6.4
120.99640	2.1
128.05069	6.5
129.01929	100.0
132.04541	7.3
144.04527	28.1
145.04942	1.9
146.04822	2.3
146.06110	32.4
147.06418	2.2
153.10661	1.9
161.04565	2.4
162.05563	5.8
164.01613	2.7
170.04765	2.8
171.05614	8.9
172.04016	7.8
173.08159	12.6
189.06679	87.8
190.06944	5.7
199.08699	5.1
203.08177	2.9
206.02783	3.6
243.07748	3.3
245.09335	2.5
257.13074	2.8
283.07080	4.3
287.06696	8.4
313.39297	1.9
319.08545	7.3
319.13785	10.6
319.17581	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	317.0661
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
51.32829	0.8
57.03178	1.2
57.03440	15.9
59.01358	3.6
63.02380	3.2
65.00320	6.0
66.89744	0.8
69.49400	6.4
71.14161	0.7
71.25932	0.8
75.88658	0.8
80.37151	0.8
81.03429	0.8
83.01383	8.8
93.03437	2.3
95.01384	8.8
96.02193	1.0
96.96008	1.7
98.20609	1.7
100.18723	0.8
107.01369	4.2
108.02179	1.3
109.02944	2.0
111.00859	3.6
121.02895	0.9
122.03745	1.7
123.00869	5.2
124.01661	13.3
125.02437	100.0
126.02769	3.1
136.01646	1.9
139.00307	1.2
140.01132	2.0
146.03708	1.6
148.01656	1.0
149.02419	3.2
150.03203	2.8
151.00357	15.0
151.03938	1.1
152.01140	30.2
153.01843	3.7
153.05492	0.8
155.03508	1.9
157.12350	0.9
165.01932	1.7
165.05591	1.1
169.21338	0.9
175.03993	1.0
178.99844	11.8
187.03979	1.5
188.04732	1.9
192.04266	7.5
199.13400	1.1
207.06602	7.7
214.06422	1.9
215.03482	1.6
216.04243	2.6
218.02174	0.8
229.05083	1.3
230.05832	3.6
231.06628	7.3
233.04552	0.8
245.08189	1.0
249.07573	1.8
256.03714	1.3
257.04904	1.0
258.05252	4.8
273.07639	11.8
274.04791	4.4
274.07602	1.0
275.05035	1.1
284.03140	2.3
289.07144	71.9
290.07529	6.6
299.05591	2.1
317.06616	71.6
317.19452	2.0
318.06805	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	317.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35521	24.3
61.98804	59.6
66.68933	25.0
67.06989	38.9
70.43399	100.0
72.69375	26.4
98.20464	29.1
163.09134	27.6
170.18416	29.3
249.45346	27.0
284.53934	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34967	22.8
64.18816	26.9
67.32340	25.8
69.81222	100.0
76.38751	28.0
107.02898	26.1
278.50461	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	315.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34967	22.8
64.18816	26.9
67.32340	25.8
69.81222	100.0
76.38751	28.0
107.02898	26.1
278.50461	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	315.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65259	0.3
58.00602	0.4
59.01371	1.7
71.18697	0.7
75.00837	0.4
76.80853	0.3
92.27859	0.3
102.68803	0.3
109.02881	0.4
113.09702	2.8
125.09723	0.5
127.11263	0.6
128.92140	0.3
141.12851	0.7
143.10767	1.2
155.14423	1.5
157.12263	0.4
171.10229	0.8
171.13910	1.0
183.13843	0.9
185.15309	0.4
199.13380	1.6
217.00369	0.7
229.14413	0.9
239.23798	0.5
254.85580	0.7
279.23273	1.6
295.22873	1.0
297.24329	9.8
298.24567	1.2
313.23782	5.6
314.24344	0.4
315.25348	100.0
316.25684	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	315.2538
Annotation	9,10-Dihydroxystearic acid
Peak:m/z	Relative Intensity
58.00586	0.5
59.01359	0.8
62.65639	0.2
68.58751	0.3
70.99259	0.7
94.94304	0.3
94.94998	0.2
108.78653	0.3
112.99490	0.3
125.09691	1.1
127.11282	3.2
139.11287	0.7
141.12849	5.0
141.63130	0.3
143.10765	1.1
148.02844	0.3
155.10759	1.6
157.12392	0.5
169.12360	0.6
171.10287	2.6
171.13873	1.4
172.10547	0.3
201.11293	1.0
222.24982	0.3
239.23744	0.4
269.24780	0.6
277.64819	0.3
278.11423	0.3
279.23196	1.7
295.22723	0.7
297.24310	10.2
298.24600	0.7
313.23825	4.4
314.24002	0.6
315.25357	100.0
316.25693	11.1
316.29443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69279	0.4
59.01381	1.9
69.76000	1.5
69.76408	0.6
71.01382	1.3
72.70915	0.4
73.02953	0.6
73.98304	0.4
74.99091	20.1
79.95732	1.3
80.96510	0.7
83.01363	0.6
85.02921	0.7
85.17609	0.4
88.04034	0.6
96.96003	70.2
98.20538	0.6
101.02441	1.1
113.02457	0.5
114.05542	0.6
120.99666	2.1
123.04517	5.5
128.03523	0.4
134.03709	0.5
136.99141	14.2
153.01903	1.3
153.05553	6.8
241.00177	1.0
241.42924	0.4
264.22543	0.5
315.07520	100.0
316.07849	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	315.1082
Annotation	3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
56.04850	0.3
57.03459	0.4
58.75500	0.4
59.01374	6.9
69.03439	0.4
69.96355	1.3
71.01381	3.8
72.99291	0.4
73.02920	0.4
85.02950	0.9
89.02438	3.3
95.01392	0.7
95.05028	0.8
96.60129	0.3
96.95979	0.4
98.19926	0.4
101.02442	2.5
102.26332	0.3
106.14175	0.4
109.02940	8.8
110.03275	0.5
113.02425	1.6
119.03477	1.6
120.99652	0.7
122.02484	1.2
122.03725	0.7
123.04513	66.7
124.04836	2.6
135.04517	7.0
141.06699	0.4
152.22479	0.4
153.02011	5.8
153.05559	100.0
154.05908	4.8
154.25049	0.3
263.96234	0.4
281.11316	0.6
315.07236	2.7
315.10809	10.9
316.11078	1.4
316.14816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1083
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01374	3.3
65.03957	0.3
70.17344	0.3
70.61672	1.0
71.01376	1.8
71.08754	0.3
75.00895	0.4
83.43507	0.3
85.02928	0.4
89.02445	1.3
95.05009	0.7
95.92433	0.3
101.02442	1.3
108.02182	0.4
109.02952	2.2
110.96124	0.3
113.02451	0.4
119.03493	0.8
122.03745	0.5
123.04517	68.2
124.04864	3.2
135.04503	2.4
152.01112	0.3
153.02002	1.4
153.05562	100.0
154.05896	4.3
179.65533	0.3
281.19061	0.4
294.91006	0.4
315.07303	0.9
315.10748	7.0
316.11267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1444
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
57.03453	0.7
59.01372	1.8
61.98811	0.9
66.69222	0.6
69.55203	2.7
69.55608	0.9
71.01373	2.3
72.99301	11.6
73.04070	0.6
74.02489	1.2
74.99094	2.3
75.00866	100.0
76.01207	1.1
81.03448	1.0
85.02944	1.4
87.05640	0.8
88.04050	0.8
88.63310	0.6
95.01365	1.1
96.00888	0.6
96.96008	3.2
96.96973	0.8
101.02432	1.2
108.02166	71.9
109.02969	25.5
110.03300	1.0
113.02423	1.2
114.01967	0.9
116.07174	0.7
119.30793	0.6
120.99620	0.8
123.00894	0.8
123.04510	13.3
124.04863	0.6
129.10281	0.7
136.93956	0.6
136.99080	1.5
145.06190	0.9
151.03999	1.0
152.01140	48.3
152.07169	1.4
153.01938	22.2
153.05560	17.8
153.07530	1.9
154.02362	1.0
163.03995	0.9
165.01981	1.6
179.64990	0.6
185.24905	0.6
191.10806	1.2
200.14096	1.5
209.11798	0.8
210.01566	0.6
239.12798	0.9
262.97137	0.7
281.77328	0.7
315.04297	2.1
315.07187	58.2
315.14380	93.2
316.07529	5.1
316.11426	0.9
316.14783	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1598
Annotation	3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Peak:m/z	Relative Intensity
57.03453	2.3
59.01367	0.8
69.03443	1.2
69.36136	3.1
71.01309	0.4
93.03452	6.9
93.88897	0.3
95.05012	0.7
98.20684	0.7
106.04234	8.8
107.05018	1.2
108.02168	2.3
119.04985	2.0
121.06580	6.9
123.04523	0.6
131.05020	2.2
135.04437	0.5
138.03157	0.6
145.06592	0.5
147.04515	5.4
147.08147	15.0
147.09325	0.8
148.08458	1.1
149.06062	26.7
150.06381	1.3
153.01810	0.5
158.07344	0.4
163.07600	3.9
165.09166	0.7
192.60605	0.3
294.34726	0.3
297.15018	0.7
300.02438	0.7
315.15967	100.0
316.16315	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
65.84489	0.5
68.11777	0.6
70.73260	1.8
71.01387	1.6
73.02934	0.7
75.00859	1.0
85.02954	1.6
90.30627	0.6
93.03439	0.6
93.76338	0.6
95.01383	1.3
101.02410	1.3
108.02168	100.0
109.02975	29.6
110.03251	0.6
110.93465	0.6
113.02434	1.1
121.02944	1.5
123.04503	1.6
135.00845	1.0
135.04503	0.7
136.95937	0.6
151.04001	1.4
152.01138	65.0
153.01933	24.5
154.02286	0.8
163.03978	1.8
165.01855	1.0
198.71402	0.6
214.45338	0.6
226.09094	0.6
312.54477	0.6
315.07178	90.6
316.07507	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	315.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78479	0.5
57.03439	0.5
59.01372	3.0
71.01377	2.0
71.62803	0.8
72.99296	0.6
73.02940	0.8
74.99096	2.6
79.95741	1.2
80.96523	1.0
81.47978	0.5
84.00937	0.5
85.02922	1.2
87.00850	0.8
88.04049	0.8
90.53680	0.5
96.96001	69.6
101.02439	1.4
108.02128	0.7
109.02929	0.8
113.02449	0.8
119.09617	0.4
120.99644	47.1
122.00036	0.5
123.04510	3.6
128.03503	1.9
130.08701	1.3
134.02707	0.7
134.03719	12.7
135.04329	0.4
136.99109	1.4
143.11897	1.3
149.06065	9.7
153.05548	5.2
168.06596	0.7
183.04803	0.5
193.05029	2.7
241.00276	1.0
241.59842	0.5
253.11884	0.7
269.11334	0.8
292.35611	0.4
297.10944	0.6
315.07516	100.0
316.07846	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	315.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.0
59.01372	4.2
62.05790	0.7
62.52636	0.7
65.00314	6.3
67.01891	3.7
68.99806	4.3
69.03455	1.9
71.62050	0.8
75.00855	2.0
78.38275	0.7
83.01375	5.1
85.02948	3.3
87.09621	1.1
93.03465	1.1
95.01382	13.5
97.02959	1.2
105.03468	0.9
107.01364	2.9
109.02955	11.2
110.00051	0.9
111.00871	1.1
117.03459	3.6
123.00874	10.1
123.04540	1.9
124.01688	1.6
125.02441	8.7
133.02943	6.0
134.03664	1.0
135.04524	33.5
136.04810	1.0
137.02393	1.7
151.00371	3.3
153.01929	100.0
154.02264	3.2
161.02432	49.8
162.02776	2.5
165.01939	1.8
174.30878	0.8
178.99849	5.1
191.45076	0.8
193.01347	6.0
193.22609	0.7
217.00276	2.2
231.55476	0.8
247.53322	0.8
254.85797	1.1
300.02808	2.8
315.05115	19.0
315.12665	1.1
315.18805	7.3
315.21548	0.8
315.68951	3.6
316.05478	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	315.0509
Annotation	Crombeone
Peak:m/z	Relative Intensity
57.03438	2.0
59.01372	4.2
62.05790	0.7
62.52636	0.7
65.00314	6.3
67.01891	3.7
68.99806	4.3
69.03455	1.9
71.62050	0.8
75.00855	2.0
78.38275	0.7
83.01375	5.1
85.02948	3.3
87.09621	1.1
93.03465	1.1
95.01382	13.5
97.02959	1.2
105.03468	0.9
107.01364	2.9
109.02955	11.2
110.00051	0.9
111.00871	1.1
117.03459	3.6
123.00874	10.1
123.04540	1.9
124.01688	1.6
125.02441	8.7
133.02943	6.0
134.03664	1.0
135.04524	33.5
136.04810	1.0
137.02393	1.7
151.00371	3.3
153.01929	100.0
154.02264	3.2
161.02432	49.8
162.02776	2.5
165.01939	1.8
174.30878	0.8
178.99849	5.1
191.45076	0.8
193.01347	6.0
193.22609	0.7
217.00276	2.2
231.55476	0.8
247.53322	0.8
254.85797	1.1
300.02808	2.8
315.05115	19.0
315.12665	1.1
315.18805	7.3
315.21548	0.8
315.68951	3.6
316.05478	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	315.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
60.97517	1.1
65.33746	0.6
68.48108	0.6
70.05389	2.8
71.01370	1.0
73.98317	2.7
74.99094	100.0
75.99435	1.7
82.36904	0.6
86.33341	0.6
88.04044	0.7
96.96006	29.3
101.02444	1.0
112.41733	0.6
113.02488	0.8
120.99664	7.2
121.66476	0.6
123.04527	18.4
134.03705	1.7
136.99144	62.1
137.99437	1.0
139.05150	0.7
149.06062	1.4
153.01903	3.1
153.05582	23.2
154.02179	0.8
165.98993	0.6
172.97865	0.5
178.72339	0.7
180.40468	0.7
193.04980	0.6
310.13132	0.7
315.07538	45.4
315.10577	2.0
316.07806	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76525	0.5
59.01379	0.8
60.34999	0.5
61.37699	0.5
72.11489	0.5
72.99291	0.7
73.20498	0.5
74.99097	1.3
87.00880	0.9
88.04022	0.8
96.04559	0.7
96.96008	5.3
103.61855	0.6
109.02962	0.5
116.07185	1.8
120.99644	100.0
121.99953	1.0
123.04498	0.8
128.03552	1.9
130.08766	2.9
134.03726	21.9
136.99147	1.3
141.94757	0.6
143.11896	1.7
149.06075	21.4
150.06369	1.2
153.01929	0.9
153.05577	1.2
168.06668	1.6
178.02731	0.7
185.16478	0.6
187.02388	0.6
193.05016	4.8
209.12871	1.0
242.18581	0.6
253.11722	1.2
269.11560	0.8
280.11768	0.6
297.10831	0.8
315.07513	5.9
315.11768	1.8
316.15359	0.7
316.18817	1.8
320.61429	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
65.00327	7.1
71.61951	0.9
73.02948	0.9
83.13161	0.8
96.96018	0.9
101.02414	1.2
108.02131	0.8
115.05524	2.5
117.03451	1.0
119.05031	7.3
125.02441	17.1
125.09705	1.0
141.01938	2.3
143.05020	100.0
144.05353	5.5
151.00391	0.9
153.05624	0.9
164.44441	0.9
169.01418	36.8
170.01805	1.0
187.03964	7.2
213.02069	0.8
217.00284	0.9
300.02747	2.0
315.05054	13.9
315.18967	0.9
315.25333	6.3
316.05341	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	315.0507
Annotation	9-Deoxyelatol
Peak:m/z	Relative Intensity
67.19151	0.5
95.01403	1.2
110.00092	3.6
111.00880	2.3
112.01662	0.8
114.79502	0.5
132.02206	0.6
133.02931	3.0
139.00352	3.9
140.01144	100.0
141.01506	3.6
155.03482	7.4
165.99059	11.2
166.99849	2.5
180.00699	0.6
181.01436	2.9
197.11797	1.8
211.03935	0.9
216.04196	0.8
229.24484	0.6
256.03711	2.1
267.11835	0.6
282.01682	2.1
300.02725	40.5
301.03030	4.0
307.24182	0.5
313.73599	0.5
315.05072	49.4
316.05414	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	315.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28143	0.4
59.01357	0.5
63.02391	5.4
65.00323	3.0
71.62595	0.7
73.51411	0.3
83.01380	4.2
89.51855	0.4
91.01857	0.5
92.89669	0.5
104.66443	0.5
107.00699	0.6
107.01373	9.0
108.02204	2.2
113.02612	0.4
120.02144	0.8
123.00867	0.6
123.01702	0.4
124.01585	1.8
133.15826	0.4
135.00783	1.2
136.01631	0.5
137.02394	0.5
148.01653	3.6
149.99527	1.2
150.99179	0.9
151.00363	17.5
152.00856	0.5
163.00369	2.5
164.01146	5.7
169.01355	1.3
169.44719	0.5
183.04387	0.6
199.03941	0.6
200.04437	0.6
202.02699	0.6
211.04030	0.6
215.03467	1.1
216.04280	2.0
226.02708	0.7
227.03496	2.8
228.04022	0.7
243.02931	2.6
244.03456	0.4
255.02950	2.9
268.11707	0.5
271.02457	5.0
272.02911	2.4
283.02454	2.9
299.01785	0.5
299.72003	0.4
300.02716	71.1
301.03094	6.6
315.05060	100.0
316.05402	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	315.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.32474	0.6
57.03462	2.3
59.01388	2.3
65.00327	3.6
67.01892	4.3
68.99818	7.6
69.03457	1.0
71.01385	1.7
71.17122	1.0
72.99308	1.5
75.00869	14.0
76.01158	0.5
79.01875	0.9
79.17449	0.4
81.03456	1.0
81.39744	0.5
83.01385	6.0
85.02947	10.9
87.00880	1.9
93.03489	0.6
95.01385	14.2
97.02951	1.1
99.00909	1.2
107.01376	2.9
108.02214	0.5
109.02969	1.1
110.00078	0.7
111.00891	1.8
113.02443	2.1
121.02969	0.6
122.00135	1.7
123.00885	14.9
124.01672	4.9
125.02443	12.0
129.01984	1.0
133.02954	37.0
134.03287	2.1
135.00958	0.6
136.01683	0.7
137.99596	1.2
139.00369	0.6
151.00352	4.6
152.01128	2.8
153.01929	100.0
154.02289	4.9
156.29984	0.5
157.01517	0.7
157.02844	1.2
160.01685	0.6
161.02463	2.3
163.00365	3.8
164.98277	1.1
167.05000	0.6
169.06613	0.9
176.01144	0.6
178.99849	2.1
179.05019	1.8
180.00629	11.5
183.04469	0.6
185.02469	1.9
192.97720	0.7
195.04585	0.9
197.06012	1.3
206.99367	3.4
208.00075	0.5
211.04033	0.8
213.05521	0.9
223.03992	1.1
225.05568	1.5
239.03552	1.9
240.04297	0.8
241.04901	1.1
251.03407	0.6
253.04898	0.9
256.99167	0.6
267.02997	1.4
268.03778	0.9
269.04568	2.3
287.05600	51.0
288.05902	4.6
297.04004	21.2
298.04352	2.0
300.02811	0.9
306.18399	2.0
315.05133	20.0
315.08563	0.8
315.18851	53.8
315.65344	1.0
315.69037	20.2
316.05380	1.6
316.19217	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	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01376	9.5
59.14467	1.3
60.70942	1.4
61.98827	2.5
63.12896	1.4
65.00313	8.6
67.01894	2.2
68.99820	1.6
71.01356	2.6
71.62461	1.8
83.01407	2.0
89.00343	1.9
89.02473	1.7
93.03431	2.5
95.01362	3.5
96.06507	1.4
96.96034	1.8
101.43270	1.6
102.96769	1.7
109.03013	1.4
118.89805	1.4
121.02932	2.6
123.00878	3.8
123.08141	2.1
125.02425	3.6
125.09711	8.2
127.11282	1.7
133.02954	21.0
136.98796	5.7
151.00330	2.1
153.01904	5.6
155.10770	7.0
157.02960	4.9
158.03339	1.6
159.03453	2.3
164.98282	8.3
171.10251	5.1
178.99898	9.9
183.04494	4.3
183.13908	2.8
192.00577	3.6
195.04579	1.8
200.28294	1.7
211.03958	3.4
212.04333	1.8
227.03348	2.0
239.03491	2.4
241.03902	4.0
251.20120	10.3
253.09225	5.7
255.02977	20.4
256.03201	2.0
267.02927	2.7
269.03580	6.6
270.01526	2.8
283.02448	43.2
284.02878	5.3
285.03940	4.0
295.01746	5.3
295.19193	4.8
295.22717	9.8
296.22977	1.7
298.04755	29.6
299.05185	2.2
313.03351	57.6
313.07101	13.2
313.20151	26.0
313.23770	100.0
314.03830	9.3
314.07141	2.3
314.20813	2.7
314.23917	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	315.0511
Annotation	(-)-Arborescidine B
Peak:m/z	Relative Intensity
50.18545	0.2
59.65234	0.2
63.80433	0.2
65.00321	2.2
68.99810	0.3
71.76724	0.3
72.99297	0.4
73.52233	0.2
74.29549	0.2
82.00556	0.3
82.24650	0.3
95.01418	0.4
96.96006	0.5
96.99316	0.7
108.02184	0.6
110.00087	13.2
111.00887	7.2
113.02448	0.7
122.03727	0.4
123.00893	1.5
124.01683	0.3
124.98802	0.7
133.02936	0.5
134.03725	1.1
136.98804	1.8
137.99593	1.3
139.00356	2.9
143.04962	0.3
145.02936	0.5
148.01645	0.3
149.02443	0.3
151.00362	0.6
152.01154	0.2
156.05772	0.4
158.03723	1.7
159.04468	1.0
160.05293	0.4
161.02464	2.3
162.03256	0.3
163.00380	0.3
164.01079	0.4
164.98285	0.2
165.99063	6.8
171.04482	1.2
172.05296	1.9
173.02388	1.3
174.03200	5.6
175.04019	1.7
180.00630	1.1
183.04433	1.1
184.05251	1.1
185.02431	1.1
186.03212	0.9
187.03963	1.2
188.04848	1.5
198.03133	0.8
199.03989	3.5
200.04776	6.5
201.01942	1.9
201.05125	0.6
202.02684	4.6
203.03467	4.7
204.04185	1.1
210.03165	0.5
211.04041	1.4
213.01845	0.8
214.02579	0.4
215.03468	1.6
216.04259	7.7
217.04567	0.5
218.02197	0.4
226.02733	0.7
227.03476	4.3
228.04250	12.1
229.01370	2.5
229.04649	1.2
230.02164	6.1
231.02771	0.6
232.03758	1.5
239.03499	0.6
243.02959	1.2
244.03763	2.5
247.06078	0.7
255.02980	2.3
256.03699	4.2
257.00919	1.1
257.03973	0.3
271.02515	1.1
272.03207	1.8
282.01669	0.4
283.02481	1.1
299.01962	0.7
299.95728	0.5
300.02725	88.3
301.03040	7.5
315.05075	100.0
316.05414	9.5
316.09171	0.4
326.56528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23169	0.4
58.00593	2.5
58.00830	0.4
59.01367	1.7
61.98819	0.7
71.01387	0.6
71.61810	0.4
71.62237	0.5
78.78815	0.5
78.98619	0.4
83.05026	0.4
84.59006	0.4
97.06587	1.4
99.08151	18.2
100.08501	0.5
106.71980	0.4
113.09695	0.8
116.17844	0.4
121.02900	0.6
127.07654	3.1
129.09212	21.9
130.09520	0.7
133.02989	0.5
141.12810	0.6
171.10283	0.5
183.13882	31.9
184.14215	2.0
195.13892	4.5
195.51758	0.4
213.14775	0.5
253.09225	1.3
269.21417	0.6
277.21719	3.7
278.21982	0.5
281.62988	0.4
291.81137	0.4
295.22720	8.2
296.22983	1.0
298.04916	0.9
311.22162	0.5
313.03421	2.1
313.06946	0.8
313.23816	100.0
314.24176	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	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61757	1.2
58.00584	2.4
59.01380	2.8
63.58719	1.2
67.58858	1.2
69.35841	10.0
87.55368	1.2
87.81178	1.1
88.11579	1.1
99.08142	17.3
101.02441	1.7
111.08113	1.4
127.07640	2.7
129.09207	19.2
183.13875	38.5
184.14246	1.2
195.13969	2.9
238.51187	1.2
253.09251	3.7
274.91373	1.2
277.21640	3.5
295.22745	6.6
296.23032	1.7
313.03445	1.9
313.06970	1.7
313.23819	100.0
314.24203	11.9
331.27542	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
58.00599	0.9
59.43952	0.6
66.13160	0.5
70.66045	1.6
94.88940	0.6
95.91717	0.6
98.08366	0.6
106.35880	0.6
125.09715	5.7
127.11281	8.5
131.93996	0.6
137.09714	1.8
153.09152	0.8
155.10777	3.6
157.12326	0.7
165.09222	2.4
171.10258	7.7
183.10176	1.2
199.09641	2.8
201.11305	49.1
202.11627	2.9
206.83377	0.6
213.49850	0.6
238.12035	0.6
277.21698	5.1
277.45395	0.7
295.22827	4.1
313.23819	100.0
314.24158	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	313.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02356	0.6
59.01374	9.8
61.98841	0.6
71.01362	0.7
71.61888	0.9
75.00851	0.9
89.02448	0.7
90.77797	0.6
95.05042	0.8
97.06593	6.8
99.08150	3.2
101.02442	0.9
109.06574	1.0
113.09707	0.7
115.00558	0.5
115.07635	3.5
125.06062	4.4
137.06091	1.3
143.07129	29.4
144.07463	1.8
155.07130	2.4
167.14432	1.4
169.15930	4.1
173.08188	2.7
177.88097	0.6
213.14954	3.5
215.12848	2.7
249.22339	0.6
251.23769	0.7
253.09201	2.1
271.22797	3.8
277.21686	7.1
278.22040	0.8
295.19485	1.1
295.22705	11.4
296.23120	1.1
298.04984	0.7
313.03345	1.2
313.23804	100.0
314.24121	10.9
314.27130	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2381
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
51.14160	0.4
51.79533	0.4
59.01375	100.0
60.01704	1.3
69.33723	2.5
69.34158	1.8
118.99380	0.5
156.58575	0.5
218.20496	0.5
224.98233	0.5
225.22136	0.8
253.21680	4.8
271.22748	43.0
272.23087	4.3
313.03430	0.5
313.23807	19.5
314.24182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11180	0.7
54.87467	0.6
58.33751	0.6
59.01365	1.1
61.98814	1.4
62.29071	0.7
64.97292	0.7
66.32011	0.7
70.32378	1.2
70.32769	1.4
70.67169	0.6
75.00866	100.0
76.01215	1.1
79.59631	0.7
88.02548	0.7
101.17664	0.7
185.00684	3.2
253.09215	0.8
255.23264	23.8
256.23608	1.7
266.38467	0.7
267.26971	0.7
313.03613	1.2
313.16705	4.3
313.19534	2.4
313.23856	6.5
313.27225	1.2
314.16705	0.9
323.98679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03444	4.4
57.68830	0.4
59.01367	2.2
67.01890	0.8
68.99781	1.2
69.03450	2.9
69.64541	0.4
70.14685	2.1
71.01374	7.0
72.18412	0.5
72.99304	4.0
80.64651	0.5
82.02995	1.0
83.01395	2.4
85.02945	13.9
85.04062	0.6
87.00864	2.1
87.04520	2.5
97.02948	5.8
99.00870	4.2
109.02957	0.6
109.04093	1.1
111.00861	2.2
113.02446	1.8
115.04010	3.8
116.05088	0.9
121.02946	100.0
122.03249	4.1
127.05143	4.9
129.01926	15.3
130.02194	0.5
130.08734	2.0
135.04518	0.8
141.01920	2.9
141.06732	3.7
144.75830	0.5
149.02435	1.9
159.02962	1.9
163.99362	0.8
165.00124	3.2
166.00914	5.9
180.99771	0.7
181.03290	8.7
182.03654	0.6
185.05641	3.9
189.05594	0.7
191.05586	16.7
192.05881	1.2
219.39127	0.5
225.02275	1.8
270.12418	1.7
313.09296	17.3
314.11655	8.6
314.20920	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	313.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93283	0.2
59.01389	0.2
69.54200	1.0
69.54611	0.5
77.19730	0.2
79.71315	0.2
81.03448	0.2
82.18517	0.2
85.02940	0.4
97.02975	0.2
99.00867	0.2
101.95514	0.2
108.02172	1.3
109.02943	100.0
110.03294	3.3
121.02947	9.1
122.03297	0.3
129.01961	0.3
129.50516	0.2
130.49017	0.2
135.32245	0.2
184.66222	0.2
187.59558	0.2
191.05525	0.3
206.25641	0.2
257.46268	0.2
313.09299	0.7
313.62677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0925
Annotation	Bungeiside B
Peak:m/z	Relative Intensity
54.76720	0.2
59.01366	0.6
64.89662	0.2
69.88046	0.9
71.01376	0.4
81.03449	0.3
84.38164	0.2
84.77661	0.2
85.02958	0.3
91.01840	0.2
96.96030	0.7
98.19944	0.3
108.02158	1.6
109.02950	100.0
110.03284	3.1
121.02953	2.4
139.61649	0.2
151.04060	0.3
186.72913	0.2
186.90865	0.2
253.09204	0.5
276.69833	0.2
313.09406	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.129
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
51.00582	0.5
57.03437	1.2
58.50504	0.6
59.01369	1.5
60.02126	0.5
63.87586	0.5
69.03436	0.5
69.20915	0.5
70.99963	1.2
71.01363	0.8
72.99298	8.9
75.00863	100.0
76.01206	1.6
81.03446	0.7
83.05016	0.7
95.05022	0.9
108.02138	1.0
109.02937	1.6
113.02345	0.5
122.03768	0.7
125.06103	0.8
136.05266	1.5
137.06067	1.8
139.07634	2.4
149.06003	0.9
151.04092	0.6
177.09200	0.9
179.07068	3.6
192.07813	0.8
207.10207	4.1
219.10280	0.9
237.11272	1.6
313.12891	74.0
314.13220	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	313.2382
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01370	0.9
71.62968	0.9
86.61397	0.5
108.12888	0.7
113.02454	0.5
119.06585	0.7
125.82160	0.6
151.90823	0.5
185.00661	2.8
198.45781	0.6
249.22156	1.0
251.23769	60.9
252.24042	6.4
269.24911	1.6
295.22757	23.5
296.23120	2.4
313.16467	8.1
313.23825	100.0
314.17178	0.6
314.24158	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2382
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
51.10287	0.2
54.39038	0.2
57.03465	0.3
58.35091	0.2
59.01368	0.8
61.98816	0.3
65.22260	0.2
74.24296	0.2
83.05026	0.3
86.99461	0.2
87.48744	0.2
87.55046	0.2
97.06594	0.3
98.20666	0.4
101.02416	0.2
121.02931	0.4
125.09726	0.8
127.11292	1.1
128.65240	0.2
133.02878	0.3
137.09700	0.3
139.11292	0.7
141.12856	0.8
153.09189	0.4
155.10757	3.5
156.04869	0.2
157.08621	0.2
157.12332	0.4
169.12369	0.2
170.88388	0.3
171.10260	4.8
172.10588	0.3
229.15787	0.2
249.22205	0.5
253.09338	0.3
267.23254	0.6
277.21710	0.6
293.21155	0.4
295.22751	7.3
296.23120	0.9
311.22266	1.0
313.03409	0.8
313.23816	100.0
314.24161	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	313.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08104	0.5
65.00409	2.4
69.47501	3.6
102.85498	0.6
110.00191	0.9
116.18311	0.5
121.03043	1.2
123.00939	0.7
132.02287	0.9
136.98814	6.6
147.04567	0.6
165.99129	0.7
167.04984	3.1
180.52837	0.6
183.04506	13.5
184.04958	0.8
185.02536	1.9
185.06145	0.9
195.04622	1.3
197.02412	1.0
199.04033	1.3
211.03990	17.8
211.06064	1.0
212.04253	1.1
225.05676	1.0
227.03508	4.1
239.03491	5.7
243.06419	0.5
253.09300	0.6
255.02957	21.7
256.03421	1.7
259.50281	0.5
267.03061	4.8
267.19821	0.5
268.03296	0.7
269.04053	0.6
269.20297	1.3
283.02472	10.2
284.02701	0.8
284.29343	0.6
297.04031	1.7
298.04788	100.0
299.05099	10.4
313.07129	65.1
313.23679	1.8
314.07462	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	313.0716
Annotation	5,7-Dihydroxy-3',4'-dimethoxyflavone
Peak:m/z	Relative Intensity
59.01377	0.5
63.02398	3.6
65.00310	3.2
93.03427	2.6
95.01392	2.6
104.15350	0.4
107.01395	2.0
110.00107	1.7
111.00964	0.4
117.03477	1.5
117.55205	0.4
119.01376	3.4
121.02953	1.4
131.44536	0.4
133.02951	3.8
135.00885	13.9
135.01912	0.8
136.01233	0.7
136.98824	1.1
139.00331	0.5
143.04939	0.5
157.02946	1.0
159.04504	0.5
161.02455	1.2
163.00366	60.0
164.00670	2.6
165.99030	2.1
167.04962	1.0
171.04588	0.5
180.05827	0.4
181.06592	2.0
183.04500	2.0
185.02484	1.7
185.06059	0.9
191.04991	1.0
193.06525	1.0
197.06065	0.5
198.03008	0.4
199.04002	1.1
202.02693	0.5
207.04358	0.5
209.06053	5.4
210.06393	0.6
211.03957	1.9
213.05574	0.9
214.02531	0.5
225.05527	3.3
227.03418	1.1
230.05927	0.6
235.03958	2.5
236.04337	0.6
237.05534	3.2
238.02682	0.5
239.03554	1.0
242.05829	0.5
253.05026	21.7
254.05580	1.9
270.01691	1.1
271.02417	0.9
281.04520	100.0
282.04849	9.2
285.04202	0.8
298.01086	1.3
299.01685	0.6
313.03629	2.2
313.07120	28.0
314.04245	11.6
314.07553	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	313.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.6
61.98825	1.9
62.28919	1.9
63.09217	2.0
65.00330	5.7
68.52575	1.7
70.83894	5.2
71.01347	2.7
75.89966	2.3
121.02958	8.3
133.02948	9.0
151.46507	2.3
163.00363	2.4
163.48064	2.1
178.99776	3.0
183.04485	12.8
191.17552	2.3
198.52322	2.2
211.03972	16.9
220.91425	2.2
227.03363	3.2
239.03423	4.7
253.09311	5.9
255.02994	23.2
267.02957	5.0
269.03680	3.4
283.02530	17.2
294.21558	4.8
297.03760	2.7
298.04785	100.0
299.05258	9.4
312.22534	7.3
313.03433	26.4
313.07169	67.6
313.23541	14.6
314.04092	2.2
314.07483	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	313.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.5
71.38020	0.4
80.51610	0.4
84.99760	0.3
98.20666	0.6
101.02425	0.5
104.30290	0.4
107.04549	0.3
117.90132	0.3
121.02946	100.0
122.03278	3.4
123.00834	0.6
133.02931	0.9
138.63538	0.3
153.02000	0.5
178.99814	0.5
180.05820	1.0
181.06587	4.6
182.06903	0.4
213.05815	0.3
225.05536	6.8
226.05809	0.3
269.03445	0.8
285.04074	0.6
310.98694	0.4
313.03363	3.9
313.07062	17.7
313.23831	1.9
314.04160	0.4
314.07376	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18141	0.4
59.01367	1.3
63.02386	1.6
65.00319	16.0
65.27078	0.4
66.00674	0.4
67.01888	4.1
68.70025	0.3
68.99811	3.3
71.00809	0.4
71.01367	0.4
76.37740	0.4
79.01884	2.5
82.20937	0.4
83.01373	3.0
83.55074	0.4
85.40444	0.3
89.00317	2.5
89.02440	0.4
91.01893	3.0
92.99815	1.4
95.01382	2.9
95.05017	0.5
98.19811	0.6
107.01382	8.1
108.99326	0.5
109.02957	0.7
111.00854	3.1
117.03461	0.3
120.99299	0.5
121.02953	0.8
123.00874	6.6
133.02945	10.7
134.03285	0.6
135.00870	2.6
135.04501	0.6
137.02362	0.8
138.03233	0.3
139.05510	0.6
143.05026	0.8
145.02937	0.5
147.04474	0.4
149.02467	2.3
149.05553	0.4
151.00354	7.3
152.01146	0.3
155.05032	0.5
157.02927	4.7
159.04494	1.0
161.02425	0.7
161.06139	0.4
163.00455	0.4
166.07890	0.4
167.04987	1.1
171.04504	1.2
173.02396	0.8
175.03976	1.7
176.01044	0.4
176.98264	3.2
178.99849	27.1
180.00166	1.4
181.94273	0.5
183.04466	2.3
185.06053	2.2
187.03990	0.8
189.05531	0.9
195.04506	1.0
196.05055	0.4
197.06012	0.7
198.03256	0.6
199.03979	4.1
201.01921	7.9
201.05597	0.5
202.02303	0.7
210.03281	0.5
211.03989	3.1
212.04567	0.7
213.01814	0.4
213.05453	2.3
214.02809	0.4
215.03442	1.4
217.04990	0.8
223.03938	1.3
227.03511	2.7
229.04951	0.7
239.03505	3.2
240.04312	0.4
241.05008	2.6
242.02098	0.6
243.02957	0.7
253.09160	1.0
255.03020	3.6
256.03534	0.4
257.04556	0.8
267.02930	1.6
269.04477	0.9
270.01797	0.5
281.04630	0.6
283.02515	2.8
284.03128	1.5
285.04004	9.7
286.04428	1.1
289.42514	0.3
295.02512	0.6
297.04010	1.2
298.01450	0.4
298.04797	0.5
311.01941	0.6
312.22644	0.5
313.03506	100.0
313.23514	1.5
314.03873	9.7
314.07120	0.4
333.50623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90376	0.3
52.87076	0.3
58.74040	0.3
68.28538	0.3
69.34276	1.7
69.34686	0.9
70.32993	0.3
96.91265	0.3
107.05069	0.3
109.02982	0.4
119.05033	0.9
120.21579	0.3
124.01646	0.6
133.02945	0.5
133.05321	2.7
134.03731	4.1
134.06148	0.3
135.04515	22.7
136.03993	0.6
136.04890	0.7
136.07657	0.5
137.02426	0.8
147.04503	5.4
148.05292	73.0
149.05620	4.3
150.01999	0.4
150.03220	0.9
160.04018	0.5
161.02429	0.8
162.03163	0.5
162.05576	0.4
175.03995	0.5
176.03505	5.6
177.04266	2.0
178.05077	37.5
179.05417	2.1
189.04228	0.3
190.05078	19.1
191.05469	1.0
253.08737	1.8
270.11459	0.6
296.09247	0.7
297.09998	13.4
298.10452	1.0
312.12372	100.0
313.12714	10.8
325.75946	0.3
326.45044	0.3
326.50256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55632	1.1
59.01381	2.6
70.89665	2.8
70.90002	1.1
72.99294	1.3
79.44432	0.9
89.76690	1.2
101.02482	1.3
109.02898	1.1
121.02961	3.3
144.89557	1.1
145.02992	1.1
148.01614	1.6
157.02910	1.1
170.03722	3.3
172.01651	2.1
185.02538	1.8
197.02452	10.5
198.03209	10.5
213.01842	1.3
214.02713	7.2
226.02724	1.5
241.01375	3.1
242.02133	8.1
243.02307	1.3
246.01999	1.2
252.00772	1.2
253.01421	2.0
253.09193	2.7
269.00903	33.5
270.01474	7.8
276.20029	1.0
281.00818	1.3
282.39771	1.3
295.05893	1.1
297.00400	4.1
298.01163	100.0
299.01437	8.5
313.03519	70.2
313.06668	2.5
313.19327	5.4
313.23532	1.5
314.03867	7.3
325.45987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38918	1.3
69.39346	2.0
92.31668	0.4
119.04998	0.9
124.01668	1.1
133.02971	1.0
133.05293	2.7
134.03732	5.1
135.04512	26.5
136.03981	1.0
136.04848	1.0
136.07668	1.0
137.02461	0.7
147.04517	6.9
147.25430	0.4
148.05290	96.3
149.05612	4.8
150.01965	0.7
150.03201	1.2
160.04022	1.0
161.02438	1.2
162.03218	0.6
162.05534	0.8
175.03955	0.8
176.03506	6.6
177.04326	3.0
178.05075	46.4
179.05321	2.4
181.84425	0.4
190.05070	22.5
191.05467	1.8
192.06628	0.6
207.74870	0.4
209.66974	0.4
215.91432	0.5
253.08708	2.3
270.11496	0.5
296.09161	0.9
297.10022	17.4
298.10388	2.2
312.12366	100.0
313.12714	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.8
59.01374	1.1
62.60152	1.0
64.00389	0.9
65.10272	0.8
66.12129	0.8
66.29051	1.0
69.27328	8.9
73.11366	0.9
95.81192	0.9
98.93696	0.9
100.40799	0.9
109.59396	0.8
119.57681	0.9
121.10229	1.8
123.08149	1.3
125.09715	3.0
127.11302	5.0
139.11279	15.0
142.15459	0.8
151.11263	1.3
155.10751	4.2
157.02998	1.3
165.09190	1.9
167.10779	1.8
171.10251	73.5
172.10530	4.2
183.10220	6.8
185.11781	17.2
187.45747	1.0
193.55951	0.9
201.11314	12.2
233.06639	0.9
275.20020	6.1
293.21167	23.9
294.21512	1.8
311.22244	100.0
312.22583	11.1
326.30063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62952	0.9
51.99953	0.8
57.03426	1.7
58.00583	3.7
59.01377	1.7
60.19715	0.7
68.78185	0.8
71.24273	1.0
73.02943	1.3
74.48766	0.8
96.67856	0.7
102.75449	0.8
104.46741	0.8
121.10217	1.2
125.09676	4.2
127.11283	7.7
137.09766	1.1
139.11264	1.2
148.05629	0.8
153.12831	0.8
155.10727	4.5
156.29207	0.8
157.08669	1.5
157.12376	1.0
165.09151	2.2
171.10228	7.4
181.12326	2.6
183.10245	2.3
183.13870	4.2
199.09688	1.9
201.11301	56.9
202.11632	3.5
213.14920	1.8
241.14375	2.0
267.02924	2.1
275.20120	4.6
287.46982	0.8
293.21100	7.4
311.01923	1.5
311.22253	100.0
312.22537	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.14985	0.4
56.27112	0.4
57.03434	0.8
59.01368	2.0
70.36246	1.8
82.43872	0.4
97.06577	1.1
108.74258	0.5
123.08143	0.5
123.11887	0.5
125.06025	0.5
125.09702	4.0
129.58075	0.4
135.08131	0.6
139.11266	2.0
141.09190	2.1
141.12907	0.7
150.18727	0.5
151.07660	0.6
153.09212	1.5
155.14386	1.8
157.12318	0.9
159.19287	0.5
167.10767	1.1
171.10248	2.9
180.04250	0.5
183.13933	0.5
184.06497	0.5
199.09740	0.9
200.10535	2.1
204.49590	0.5
218.44299	0.5
249.22258	2.4
251.11414	0.4
265.21628	1.1
267.03046	0.7
267.23267	1.5
275.20181	1.0
283.22913	0.8
290.01300	0.5
293.21198	7.5
294.21472	0.6
297.75885	0.5
311.02017	0.6
311.22260	100.0
312.22598	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.45905	0.3
57.03452	0.9
59.01372	2.9
70.39063	0.4
70.47266	1.5
83.04991	0.4
104.45738	0.4
141.12849	0.8
141.26184	0.4
154.14690	0.4
157.02924	0.7
160.19943	0.4
171.10172	0.6
183.01135	0.9
185.42395	0.4
197.02811	0.5
238.05739	0.4
249.22209	50.5
250.22507	4.4
264.07880	0.4
267.03052	0.9
267.23230	1.5
293.21204	21.1
294.21576	2.4
311.01828	0.6
311.16553	2.7
311.22250	100.0
312.17349	0.6
312.22580	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01370	2.3
67.01871	0.9
69.86159	3.4
82.46714	0.6
97.06580	1.6
113.09751	3.7
123.08119	1.0
125.09704	4.3
126.29250	0.6
139.11278	9.1
141.12849	1.1
145.74599	0.6
149.09718	0.7
157.02821	1.3
167.14395	1.5
171.10258	14.2
172.01666	0.7
185.11789	6.2
188.25800	0.7
195.13873	1.1
197.11855	2.0
211.13373	35.6
212.13754	2.8
223.13254	1.1
223.59665	0.6
239.03430	1.0
251.96523	0.8
267.03033	1.9
293.21204	100.0
294.21478	11.7
311.01859	2.1
311.22229	10.9
312.22589	0.8
322.64951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.4
59.01359	1.6
70.75629	2.1
71.01391	0.7
72.41017	0.7
72.55979	0.8
99.08176	0.8
111.14330	0.7
121.10262	1.6
125.09706	2.4
127.11288	4.5
129.09215	1.7
137.09787	0.8
139.11288	8.7
148.50995	0.7
155.10745	2.1
164.23524	0.7
167.10741	0.8
167.88419	0.7
171.10258	51.1
172.10629	3.5
181.12325	1.6
183.10286	4.0
185.11789	7.5
197.11812	3.9
199.13332	1.6
201.11275	9.5
211.13316	5.7
244.16953	0.8
258.51105	0.7
265.21884	0.9
275.20120	3.4
293.21210	15.1
294.21597	1.4
311.01944	0.7
311.22260	100.0
312.22589	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	311.0559
Annotation	Leiocarpaquinone
Peak:m/z	Relative Intensity
52.16286	0.8
53.35582	0.6
56.88122	0.6
59.01376	13.7
59.01646	0.8
61.98797	1.3
65.00308	1.5
69.43053	0.8
71.01337	1.0
71.16373	1.4
71.16938	0.7
85.02892	0.7
92.61967	0.7
99.08079	1.8
101.02349	0.8
113.09664	1.5
124.90594	0.7
125.09674	1.4
127.11260	1.7
133.02919	1.1
136.16936	0.7
139.11281	5.7
153.12856	3.3
155.10703	2.8
157.02954	6.4
157.08679	5.2
167.04919	2.3
171.10272	11.2
173.08197	0.7
181.12320	2.0
183.01109	1.2
183.04501	1.4
183.10214	2.7
195.04512	7.2
196.04814	0.7
197.06064	1.1
199.13251	1.2
201.11307	2.3
207.04457	2.7
209.02271	1.1
211.03973	3.3
213.05519	2.6
222.03110	1.3
223.03986	14.6
225.01913	5.0
235.03975	5.9
237.01840	4.0
238.02284	0.8
239.03459	3.2
249.94427	0.8
250.02678	3.3
251.03470	38.4
251.11266	2.6
252.03775	2.6
253.01451	0.8
267.02997	6.9
268.03217	0.8
275.20148	3.0
279.02957	100.0
280.03293	10.7
293.00961	2.0
293.21207	20.0
294.21417	1.4
311.01968	7.8
311.05621	22.2
311.16672	2.3
311.22272	60.7
312.02557	0.8
312.05954	2.3
312.12225	1.2
312.22681	4.8
328.87726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03964	1.3
57.03421	1.8
59.01358	4.0
80.86116	1.1
90.85900	1.1
95.04959	1.7
97.06580	9.7
99.08126	3.2
99.77368	1.1
100.45884	1.1
101.02483	1.1
104.93980	1.2
111.08148	1.9
113.09718	2.4
121.10235	1.6
125.06023	1.5
125.09704	2.3
127.07689	1.2
127.11266	4.1
137.06053	2.9
139.07483	1.2
139.11296	7.9
143.07124	16.7
144.07484	1.8
153.26169	1.0
155.07111	2.8
155.10782	2.7
157.08661	2.2
167.14406	4.0
171.10254	41.8
172.10641	2.0
173.08165	14.3
177.12825	1.5
183.10252	3.6
185.11847	8.6
193.12329	2.2
201.11288	8.0
211.13362	2.3
225.00859	1.2
267.02853	1.2
275.20135	9.5
293.21219	35.4
294.21472	3.2
311.01819	1.1
311.22250	100.0
312.02573	1.4
312.22623	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	310.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41208	1.1
58.67048	1.1
59.01377	47.4
60.01708	2.7
69.03447	1.6
70.26372	4.3
71.01382	32.0
72.99308	2.3
73.02939	5.7
73.23100	1.1
75.00861	2.9
78.95894	3.3
80.39141	1.2
83.01382	1.5
85.02940	6.1
86.02499	1.5
86.03226	1.2
87.00842	6.1
88.04039	42.9
89.02441	46.4
89.02989	2.4
89.04368	1.2
90.02791	1.2
95.01403	1.6
97.02905	1.4
99.00864	4.0
99.62228	1.3
101.02450	13.3
104.09380	1.2
111.00851	1.7
112.98726	1.4
113.02451	9.3
113.03552	2.9
114.01957	2.3
116.07175	15.9
117.01924	5.1
117.05576	6.0
118.02235	2.0
118.05924	4.8
119.03504	8.7
126.98888	3.3
128.03523	4.7
129.01877	1.2
130.04099	2.3
130.05087	46.1
130.08734	100.0
131.03497	3.6
131.04604	9.3
131.05411	1.6
131.09068	3.8
133.05035	2.5
143.03482	2.3
148.05286	1.3
148.06998	1.5
149.02808	1.9
149.04515	4.2
151.03940	1.5
161.04533	4.0
179.05635	7.6
189.05560	1.4
209.06560	1.9
269.41550	1.3
277.22137	1.2
310.12173	13.7
311.07556	3.5
311.10028	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	311.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02403	2.3
65.00323	3.0
70.36113	3.3
80.42903	0.8
89.00323	2.4
107.01418	1.0
107.69671	0.9
114.05124	0.9
133.02953	12.5
134.03267	1.6
141.03395	1.1
143.04985	2.3
155.05080	1.2
157.02939	76.1
158.03226	3.5
163.57686	1.0
167.04988	7.7
168.05334	1.1
181.02928	4.1
183.04510	3.0
193.02917	4.1
195.04492	11.0
196.04787	1.0
197.02380	1.2
199.03984	10.0
201.01848	1.3
209.02402	2.5
211.03986	28.6
212.04260	3.4
218.11819	1.1
221.02388	1.3
222.03285	1.5
223.04013	17.5
224.04398	1.4
225.01869	8.8
236.73167	1.1
237.01904	1.9
238.02525	1.4
239.03477	44.9
240.03804	3.1
249.01950	7.9
265.01572	1.0
266.01917	1.2
267.02963	98.8
268.03268	8.4
293.00909	34.4
294.01334	2.5
311.01956	100.0
312.02295	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	310.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33502	0.8
58.38145	0.7
59.01377	29.5
60.01679	0.8
70.05216	1.3
70.05629	2.3
71.01379	19.9
73.02931	0.9
74.94276	0.8
78.95908	3.1
85.02921	1.4
87.00882	1.5
89.02439	26.9
92.24276	0.8
95.01370	1.0
101.02441	7.1
107.84303	0.7
113.02446	5.5
114.01660	0.8
115.78996	0.7
119.03502	6.2
130.08728	100.0
131.03532	1.4
131.09070	3.6
133.56882	0.7
136.94008	2.0
143.03578	1.1
149.04581	1.0
161.04506	1.5
178.96094	1.6
179.05582	5.7
250.02513	3.9
268.04276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.7
69.03435	5.1
70.89532	3.6
70.89893	2.8
71.05037	2.0
76.11687	1.6
83.05025	3.4
95.29638	1.4
119.08667	23.2
125.09709	8.5
127.11214	1.9
134.85930	1.8
135.08134	3.3
137.09715	32.7
139.11195	2.0
144.69133	1.6
155.10690	2.0
167.10785	3.3
171.10248	100.0
172.10609	4.9
183.10225	6.7
183.99356	1.7
185.11801	23.1
186.12178	2.0
195.10194	2.9
197.11827	4.2
201.11263	7.9
213.11287	8.9
229.19582	2.8
273.18552	12.3
291.19595	31.2
292.19955	3.4
306.42490	1.8
309.17355	2.8
309.20673	76.4
310.20923	5.8
324.80371	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
66.64130	1.2
67.01891	1.9
69.03460	1.8
70.36484	4.8
71.05013	2.1
80.02675	10.2
81.03458	4.5
83.05025	30.1
84.02158	10.6
92.31638	1.4
95.05053	1.5
97.02920	1.6
97.06577	3.1
99.08146	9.9
109.02947	1.2
109.06567	2.7
110.03809	1.3
111.08094	2.2
113.09715	3.1
115.07655	6.3
123.04518	3.8
123.08202	1.7
125.09727	7.8
127.07611	1.5
127.11279	6.5
134.90451	1.2
137.09712	52.8
138.10023	3.6
139.11285	8.3
148.05281	3.1
151.07648	1.8
151.11258	6.3
153.09239	6.2
153.12856	1.7
155.10768	58.6
156.11089	3.2
165.12759	2.7
167.10721	4.4
169.12244	1.7
171.10263	57.7
172.10576	2.0
180.04260	5.7
193.12318	31.3
194.12721	2.1
195.13907	1.9
209.11861	4.6
211.13345	4.7
247.20615	9.7
249.07059	1.3
259.93280	1.4
263.19952	6.4
265.21680	7.3
273.18652	1.4
291.19635	100.0
292.19913	11.2
309.20685	92.6
310.21075	9.5
323.52832	1.4
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
51.04837	1.1
55.01845	1.2
57.03450	1.7
59.01379	2.5
70.36285	3.4
80.02676	1.4
81.03452	2.6
83.01402	9.1
83.05014	5.3
87.08147	1.1
95.05002	2.2
97.06573	3.5
98.03718	1.9
111.08121	1.5
123.04501	3.6
123.08189	4.4
125.06125	1.6
125.09710	11.5
127.11310	2.4
135.08189	1.9
135.81317	1.3
137.09668	2.2
139.11287	12.4
155.10815	2.3
163.11272	8.1
165.12816	15.6
167.10716	5.6
171.10266	3.5
179.14340	1.5
181.12357	3.2
185.11804	2.9
191.10724	3.1
193.12231	1.5
193.15952	5.4
207.10184	1.4
209.11829	59.1
210.12167	4.9
211.13199	1.4
240.05302	1.3
247.20671	11.2
263.20151	1.6
265.21710	5.8
273.18454	3.5
281.21362	2.1
291.19638	100.0
292.20007	11.4
309.17175	3.0
309.20612	30.3
310.20978	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33508	1.7
54.65827	1.5
57.03437	4.4
58.00595	2.2
59.01358	4.9
59.82817	1.4
60.68964	1.7
65.35654	1.6
69.39657	2.9
69.40069	11.2
71.59044	1.8
80.02690	9.8
82.08063	1.7
84.02169	3.2
85.20430	1.7
98.19851	3.4
123.08176	21.0
125.09721	20.6
127.11271	8.0
137.09695	16.4
139.11296	9.4
141.12808	3.1
151.07574	2.6
153.09169	2.8
155.10773	51.0
156.11023	2.2
167.10770	5.2
171.10254	100.0
172.10561	4.5
185.11813	95.9
186.12111	5.2
209.15419	2.0
212.10513	5.7
226.15796	1.8
247.20500	5.1
251.19879	2.5
263.20120	6.8
265.21719	6.1
281.21167	18.2
291.19626	41.3
292.19971	3.2
309.14996	2.6
309.17212	4.3
309.20612	44.2
310.21008	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.31854	1.9
52.83767	2.2
57.03437	5.3
59.01361	9.2
70.66592	5.0
71.01357	2.7
80.02670	7.9
91.76663	2.3
123.08131	13.7
125.09708	20.3
127.11267	8.6
137.09717	13.8
139.11253	7.7
151.03963	2.8
151.07639	3.4
153.09172	2.9
155.10773	55.2
167.10753	6.6
171.10262	100.0
172.10551	4.3
185.11824	94.6
186.12117	9.1
209.11795	2.7
212.10422	6.8
247.20572	6.3
263.20056	9.0
265.21588	6.9
281.21103	16.7
291.19614	39.1
292.19736	3.4
309.17062	6.7
309.20657	49.9
309.24097	2.8
310.20807	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.6
58.00601	1.6
59.01377	4.7
69.03455	5.1
70.36589	5.5
72.27079	1.2
79.61042	1.2
83.05037	1.3
97.06580	1.3
99.00862	1.3
107.08659	2.1
108.05809	1.4
111.08155	3.9
119.08673	14.1
123.08150	1.8
125.09704	5.3
127.11267	2.6
135.08156	1.4
137.09715	28.0
138.10004	2.0
139.11301	3.0
151.04008	3.7
151.07616	3.5
151.11269	3.3
152.08418	3.9
154.87361	1.2
155.10745	5.8
157.08696	2.6
162.10509	2.2
167.10793	3.7
169.12289	1.5
171.10252	100.0
172.10571	4.9
182.80493	1.6
183.10234	5.0
183.13896	2.3
185.11797	22.4
197.11807	16.0
201.11287	8.0
209.11975	1.8
209.15468	8.6
211.13300	5.2
213.11249	8.0
219.17464	1.7
225.14861	3.1
229.19608	3.7
247.20560	1.8
263.20233	1.5
265.17905	2.3
273.18628	9.8
290.88281	1.2
291.19620	61.7
292.19974	8.8
309.17068	16.8
309.20660	57.6
310.17664	1.9
310.21039	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37520	1.6
59.01374	3.4
65.39855	1.8
66.91553	1.7
67.01888	1.9
69.03474	2.0
70.01029	1.8
70.83699	2.4
70.84044	4.4
71.05007	2.4
79.24522	2.1
80.02666	13.9
81.03442	6.3
83.05021	35.1
84.02165	13.1
88.28983	2.3
97.06587	5.4
99.08135	7.3
109.06581	3.6
113.09757	2.0
115.07639	3.5
117.31566	1.9
119.08537	1.9
125.09711	4.6
127.11252	4.9
137.09718	63.2
139.11290	14.7
151.07611	2.1
151.11302	2.1
152.08388	3.8
153.09207	9.3
155.10768	61.8
165.12819	2.6
167.10692	3.6
169.12279	2.4
171.10262	74.8
172.10657	3.3
182.02588	1.9
193.12299	30.3
195.13957	2.7
209.11734	6.0
211.13408	6.0
247.20566	3.7
263.20135	8.4
265.21732	5.6
291.19629	88.6
292.20105	9.3
309.20682	100.0
310.21082	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.6
59.01369	1.6
69.03448	2.7
71.00551	2.4
73.97404	1.0
79.87709	1.0
81.03445	1.1
81.67529	1.0
83.05029	1.9
95.01386	1.6
97.02942	17.2
97.95606	0.9
99.00853	6.6
99.84859	1.1
111.00871	1.1
111.08163	1.5
111.47298	1.1
113.09710	3.2
119.08652	9.7
121.10310	1.0
123.00837	1.6
125.09670	3.2
137.09705	15.3
149.82423	1.0
151.04007	21.3
151.07637	32.0
152.08423	39.3
152.63254	1.2
153.08939	3.3
155.10667	2.1
167.10715	2.4
171.10255	38.3
172.10559	1.6
184.07362	5.9
185.11812	7.5
190.09956	3.8
193.08656	3.9
193.12242	1.4
195.10263	8.0
195.13901	2.6
201.11314	2.0
208.10989	3.8
209.15439	58.1
210.15799	3.9
213.11287	1.5
229.19516	2.2
239.12802	1.3
247.17041	2.5
252.09953	10.0
265.18008	12.2
273.18518	5.9
291.16098	4.5
291.19650	25.1
292.20047	2.4
309.17035	100.0
309.20685	60.3
310.17352	12.3
310.21045	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79143	0.5
59.01373	100.0
60.01708	1.2
61.84830	0.4
61.98829	2.0
69.03445	0.6
69.48823	3.3
71.01387	1.0
73.02946	0.8
78.32252	0.5
80.45963	0.5
82.30122	0.5
83.01391	0.8
85.02959	1.3
91.90478	0.6
96.30657	0.4
96.96001	3.7
98.95589	4.3
98.96151	0.6
98.96462	0.4
101.02462	1.4
109.02950	1.7
113.02457	0.9
119.05048	1.5
125.24950	0.4
133.02992	0.6
134.03723	2.1
134.04724	0.5
145.02870	0.9
151.04021	0.6
154.04686	0.6
161.04558	1.0
161.05965	0.5
163.04008	1.5
165.00171	0.6
171.34651	0.5
180.48053	0.5
181.03271	0.6
193.05066	1.8
235.06107	1.6
244.60942	0.5
247.06297	0.6
249.13402	4.3
265.07205	0.8
266.05597	0.6
267.06650	0.6
295.06238	1.6
306.72519	0.5
309.05988	0.8
309.09436	1.0
309.12683	0.8
310.08319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	20.9
69.95933	1.4
69.96343	0.6
70.81664	0.4
92.92773	0.4
96.96005	1.7
98.20786	0.5
104.05087	0.4
115.97511	0.4
121.39699	0.4
151.07596	0.6
152.08380	0.7
209.15437	1.2
227.20140	100.0
228.20477	7.6
309.17242	3.0
309.20444	22.6
310.20789	1.9
322.83444	0.4
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	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03423	1.7
59.01371	3.1
61.15725	0.9
61.98803	1.0
65.77685	1.0
67.12069	1.1
67.53916	0.9
69.03484	1.0
69.94292	3.8
88.25775	0.9
111.08111	1.3
121.10226	10.9
125.09711	7.4
135.12646	0.8
137.09760	4.5
147.26976	0.9
167.10707	1.1
167.14381	1.4
171.10272	7.2
172.10675	1.0
172.68156	0.9
185.11856	9.1
195.13870	3.5
197.11775	2.3
209.11845	1.0
211.13373	59.0
212.13713	3.8
237.24052	1.0
247.20668	1.0
273.18607	1.5
291.19635	100.0
292.19894	10.2
303.23056	0.9
309.17358	1.4
309.20587	12.6
310.20947	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1187
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01873	1.7
57.03438	5.1
58.00592	2.6
59.01376	88.7
65.28090	1.1
67.00287	1.1
69.03427	2.6
71.01380	32.8
71.60821	1.3
71.61174	1.2
72.99313	5.9
73.02945	18.1
74.99133	1.4
78.95886	3.1
83.01394	3.8
83.05017	2.2
85.02948	23.5
87.00864	4.5
87.04517	1.8
88.04025	6.2
89.02444	31.9
95.01362	2.2
96.36225	1.0
96.95985	2.1
96.96974	1.4
97.02938	3.8
99.00859	7.0
101.02435	16.9
101.06055	1.3
111.00865	2.3
111.04539	1.3
113.02451	11.6
113.07172	1.1
115.04005	4.3
116.07174	3.4
117.01946	19.6
117.05570	76.5
119.03501	11.9
119.05014	2.1
127.04018	2.1
128.03546	6.6
128.05522	1.2
129.01942	17.1
129.03885	3.3
129.05574	8.4
130.05098	8.6
130.08731	50.5
137.32785	1.1
141.01894	2.8
143.03462	2.0
147.06613	4.3
148.04207	1.6
159.02959	3.3
161.04570	2.4
177.07956	1.3
179.05569	5.8
180.06686	3.3
191.05647	17.2
209.06630	7.2
309.11880	100.0
310.12189	8.2
310.15097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1189
Annotation	alpha-D-Rha-(1-3)-alpha-D-Rha
Peak:m/z	Relative Intensity
55.01867	1.5
57.03439	6.5
58.56377	0.7
59.01375	51.6
67.01864	0.9
68.99800	2.2
69.03439	2.9
69.82081	2.1
69.82492	2.5
71.01376	8.5
72.99291	4.4
73.02937	6.8
77.44350	0.7
78.52573	0.8
82.36387	0.9
83.01372	3.5
85.02942	22.8
87.00862	3.7
87.04501	2.8
87.85106	0.9
89.02435	2.8
95.01364	1.1
97.02943	8.3
99.00874	7.8
99.04510	1.3
101.02428	1.7
111.00858	3.4
113.02441	2.8
115.03995	4.6
117.05566	100.0
118.05881	2.8
124.34055	0.9
127.03993	1.8
129.01926	19.6
141.01974	4.1
147.06599	1.2
159.02965	3.5
173.04504	0.9
191.05589	22.8
192.05980	1.4
209.06587	2.2
235.01434	0.8
249.80199	0.8
281.47305	0.8
284.67386	0.8
309.11871	52.7
310.12231	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
57.90125	0.3
59.01359	0.9
61.98845	0.4
69.63677	0.6
69.64084	1.2
71.01369	0.8
72.10098	0.3
73.72553	0.3
79.80075	0.3
96.96016	0.7
112.59894	0.4
113.09708	0.4
117.27479	0.4
135.04524	0.4
139.65375	0.3
179.03491	0.5
200.71678	0.3
213.15013	0.3
307.22745	100.0
308.23102	12.0
309.66394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.264
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01348	0.5
61.98811	0.8
71.36824	0.5
71.62907	0.5
74.69850	0.5
80.59420	0.5
82.40177	0.4
135.04555	0.7
154.21950	0.4
260.60788	0.5
307.26392	100.0
308.26758	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	309.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
55.84249	1.1
57.03443	2.8
58.00584	1.8
58.99589	1.8
59.01375	77.9
68.99817	1.5
69.03447	1.7
69.48360	9.2
71.01375	28.5
71.05029	2.3
72.99307	4.6
73.02946	49.9
74.99099	4.0
75.00851	1.3
78.95918	3.1
83.01398	3.2
85.02950	16.3
87.00876	3.1
87.04541	2.9
88.04041	4.9
88.98810	4.9
89.02436	24.5
92.90234	1.3
95.01406	1.7
96.96003	4.8
96.96972	2.6
97.02921	3.4
99.00876	9.3
99.04496	1.3
101.02443	17.2
103.03993	1.7
111.00863	2.6
112.98803	2.6
113.02428	7.8
113.07246	1.1
115.04020	3.3
116.07197	1.9
117.01939	100.0
117.05576	38.5
118.02278	2.6
119.03522	10.2
119.05039	1.3
120.99651	4.4
127.05109	1.8
128.03528	3.9
129.01944	12.7
129.05588	11.6
130.05081	5.4
130.08733	7.9
132.69278	1.3
136.99152	3.1
141.01938	1.7
142.99858	1.5
143.03545	1.7
147.06622	7.7
148.63094	1.4
159.03006	3.1
163.04001	1.4
173.00911	1.7
179.05682	2.0
180.06631	7.0
188.04826	1.8
191.05560	10.5
209.06656	3.0
291.09839	2.6
309.06033	2.5
309.11868	99.8
310.12317	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64963	2.0
54.82558	2.2
55.01860	4.0
57.03429	3.4
59.01375	16.6
65.03963	59.9
65.34151	2.1
69.33752	17.9
71.01371	8.6
71.01740	2.2
71.05018	37.8
71.46765	1.7
72.78030	1.9
83.05023	2.5
83.60069	1.8
95.04984	2.1
96.96014	5.8
97.06586	74.3
98.20631	4.2
103.04018	6.0
109.06619	2.6
119.08682	13.4
121.06588	100.0
121.69189	1.9
122.06925	4.5
123.08164	4.1
125.09716	39.3
137.09734	3.0
157.05104	2.8
162.91000	2.0
166.30302	2.1
167.14391	2.0
185.11818	90.1
186.12134	3.4
209.11821	36.7
210.12234	1.9
211.13370	39.5
212.13799	2.7
222.39297	2.2
235.13368	100.0
236.13771	5.8
247.08437	2.8
259.41699	2.0
275.99521	1.9
289.18021	23.9
290.18335	2.5
290.89157	2.0
292.45096	2.0
298.31305	2.1
307.15863	2.4
307.19128	36.8
308.19525	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.0
57.48661	2.0
59.01376	19.1
61.98822	3.3
71.01386	13.0
71.24581	4.4
81.03433	4.5
83.01376	2.7
83.05043	2.4
96.96024	3.5
97.06557	3.8
103.04005	5.7
112.96173	2.1
125.09718	5.3
126.01167	9.4
135.04527	3.1
137.09715	6.2
151.11273	9.1
154.00677	28.1
157.05003	2.7
163.11311	5.1
171.10313	2.7
181.12280	2.6
185.11812	4.8
191.14439	5.7
207.10280	3.0
209.11842	16.7
225.11264	3.2
245.19075	16.5
245.21222	2.5
249.14911	3.3
263.20129	10.7
265.21732	4.1
289.18054	28.8
307.00729	2.6
307.19095	30.2
307.22733	100.0
308.19678	4.5
308.23102	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67196	2.0
55.01865	4.4
57.03430	8.6
59.01373	14.5
65.03957	63.2
67.81261	2.0
70.76350	5.8
71.01360	11.7
71.05013	46.1
77.12111	2.6
83.05022	4.4
95.05076	2.6
95.93845	2.1
96.95988	3.8
97.06582	78.5
103.03983	5.7
119.08646	12.9
121.06591	94.3
122.06889	3.1
122.66083	2.2
123.08138	4.9
125.09709	52.0
135.08144	4.6
137.09720	4.2
154.27397	2.4
156.24751	2.3
157.05089	2.5
171.10231	5.4
185.11821	89.1
186.12141	5.3
209.11821	34.1
211.13365	36.8
211.16545	2.4
212.13713	2.7
225.14792	4.5
233.15372	4.0
235.13362	100.0
236.13733	7.3
245.19159	4.1
249.14931	7.7
266.18713	2.8
289.18063	37.7
294.90314	2.2
307.15665	3.3
307.19092	40.7
308.19437	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	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.8
59.01374	19.9
61.98812	3.6
69.32927	11.3
69.33347	12.6
71.01398	12.2
71.05013	4.9
79.95734	6.7
81.03437	4.5
83.05015	10.7
84.02173	4.4
85.02961	3.1
85.06608	3.2
91.15869	2.4
95.05025	19.5
96.96021	3.4
97.06561	7.7
98.20654	5.2
103.04018	3.6
109.06592	14.6
111.04485	5.5
111.08153	27.5
113.06080	19.0
113.09713	40.0
149.09703	38.6
150.10008	2.8
151.11269	55.2
152.11609	3.6
157.05045	3.0
165.12813	11.8
171.10268	7.9
173.30611	2.5
191.10814	4.0
193.08696	21.0
195.13895	3.3
209.11818	91.3
210.12186	7.8
211.13347	8.5
233.15437	6.3
233.92632	3.2
245.18956	5.6
247.08176	3.1
265.18057	18.3
289.18048	33.7
290.18475	4.1
307.10544	3.3
307.15656	6.6
307.19122	100.0
308.19257	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	307.191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01134	0.5
59.01380	5.7
59.27474	0.5
69.03426	1.1
71.01379	2.3
71.05015	4.9
71.62092	0.6
71.62514	0.6
80.02654	0.9
81.03447	1.9
83.05021	1.6
95.05023	1.8
96.95998	1.8
97.06608	0.7
98.03729	1.4
103.03990	1.0
105.08819	0.5
106.04245	0.8
107.05041	0.8
109.02941	0.5
109.06585	13.7
110.06918	0.8
111.04514	7.1
111.08134	1.6
112.05277	0.8
123.04518	0.7
123.08134	1.4
127.07639	3.2
137.06036	0.7
137.09663	0.8
143.10747	1.3
145.06587	2.4
149.05986	0.5
149.09641	0.9
151.11247	1.0
160.11818	0.5
163.11317	1.0
167.10750	3.1
177.12749	0.5
179.10707	1.4
181.12289	0.9
191.14348	0.7
195.13852	4.5
198.58148	0.4
200.16554	0.4
200.91379	0.5
207.17401	0.8
225.10931	0.6
230.16530	0.4
235.13441	2.3
245.19054	5.1
247.08192	1.1
249.14845	0.7
251.16554	1.5
271.16974	2.0
287.16437	2.6
289.18063	100.0
290.18420	10.8
307.15805	1.3
307.19089	10.1
308.19299	1.1
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	Unknow
Peak:m/z	Relative Intensity
57.03429	7.7
59.01369	11.9
64.94073	1.6
67.01926	2.1
68.13252	1.6
69.03437	2.8
70.18904	1.7
70.19226	6.5
70.30125	1.7
71.01367	4.6
75.10667	1.8
80.02666	2.7
81.03445	8.2
83.01369	12.1
83.05017	8.6
93.03456	2.9
95.05000	7.0
97.02955	7.1
97.06572	15.3
98.19912	1.9
103.04060	2.0
106.04253	2.2
107.50405	1.9
109.06575	3.5
119.08649	1.7
121.02969	1.8
121.06599	3.9
123.04523	11.1
123.08145	3.0
125.06064	3.0
125.09720	20.7
135.08101	2.9
137.06065	2.1
137.09714	14.5
149.06017	1.9
162.10410	2.5
163.07585	1.8
163.11279	19.7
164.11592	2.4
165.12843	4.4
167.10829	2.7
171.10226	3.7
177.12781	2.3
179.10800	2.5
181.12312	5.1
185.11790	27.1
191.10738	6.7
191.14418	19.8
207.10251	10.8
209.11804	52.5
210.12120	3.6
211.13222	2.0
211.41095	1.8
219.36221	2.1
225.11250	8.3
227.18102	2.1
245.19060	48.6
246.19424	5.6
263.20108	5.7
271.17001	4.5
279.19662	2.6
289.18079	100.0
290.18436	14.1
307.15540	2.7
307.19089	56.8
308.19287	9.9
328.05905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12677	0.5
50.71794	0.5
55.01872	0.8
57.03446	1.0
58.00581	1.6
59.01374	42.8
59.49093	0.5
60.01703	0.6
70.63329	1.7
71.00987	1.3
71.01377	20.8
71.08435	0.6
72.99300	1.5
73.02921	1.2
83.01383	1.4
85.02950	4.7
87.00880	1.4
89.02437	21.2
92.84634	0.6
95.01373	1.7
96.95982	2.8
98.95556	0.9
99.08146	17.2
101.02434	14.2
113.02439	6.9
119.03481	8.3
127.07633	5.8
129.09212	1.9
131.03513	1.0
141.09175	1.7
143.31119	0.6
145.08690	52.5
146.09032	1.9
161.04518	0.7
179.05492	1.2
182.00031	0.6
187.09695	2.1
213.01894	0.6
289.36444	0.7
307.13953	100.0
308.14282	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	307.1396
Annotation	NSC-224070
Peak:m/z	Relative Intensity
59.01374	35.3
69.81155	4.9
71.01381	16.0
72.99303	2.5
73.02949	1.4
76.88209	1.0
79.95739	1.9
80.96514	1.7
83.01349	1.2
85.02966	5.3
87.00862	1.8
89.02435	16.2
91.16389	1.0
95.01339	1.9
96.96006	9.9
97.03018	0.9
97.06593	1.4
98.20549	1.1
98.95583	11.0
98.96411	2.5
99.00878	1.8
99.08147	17.4
101.02434	13.7
103.16335	0.8
113.02417	6.9
116.16496	0.8
119.03474	6.0
127.07629	5.6
133.06880	4.7
134.07266	4.4
135.06488	2.1
135.08078	0.9
141.09183	2.6
145.08691	59.6
146.09039	2.9
187.09773	1.7
212.05156	1.3
225.11276	1.4
263.11478	1.2
307.10733	5.1
307.13950	100.0
308.08350	1.6
308.14233	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.6
59.15587	0.4
59.58540	0.4
69.30053	4.2
73.02943	0.4
74.08578	0.4
79.95734	13.6
96.96004	100.0
97.06609	0.6
97.95940	0.7
101.02441	0.9
106.73740	0.4
120.99645	1.1
122.97578	0.8
135.08148	0.5
147.08139	1.1
163.03674	0.4
165.09241	0.6
183.20322	0.4
225.11296	9.7
226.11719	0.5
305.06973	35.3
305.10617	60.9
305.16211	1.9
306.07275	2.8
306.10934	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	305.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88706	0.3
56.37533	0.3
57.66051	0.3
59.01376	1.9
70.22373	1.2
79.95731	4.9
79.96174	0.4
83.04989	0.3
96.96004	100.0
98.19905	0.4
138.05620	0.5
154.07291	0.3
186.45634	0.3
198.20618	0.4
225.11339	0.8
305.10590	81.1
306.10931	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	305.1755
Annotation	Capsiate
Peak:m/z	Relative Intensity
51.73062	1.6
51.88529	1.5
58.02977	2.6
59.01374	33.6
61.98822	4.7
69.03440	2.8
71.01409	2.3
71.04620	2.8
71.05017	44.1
71.61938	2.3
81.03468	2.4
81.51655	1.9
83.05016	2.2
93.03439	3.4
95.05022	20.8
106.04269	3.7
107.05028	3.0
109.06594	20.4
111.04513	2.2
121.06599	6.6
127.07619	4.9
135.08156	2.7
141.01724	9.2
147.04451	3.2
147.08173	3.1
161.06036	2.3
161.09656	3.4
165.09206	13.5
168.13934	5.3
169.14265	4.0
172.04247	1.9
173.09908	1.9
189.12869	15.8
205.16003	9.0
211.86095	1.9
233.11771	6.2
243.17621	11.6
245.15691	2.1
249.14948	10.5
261.18832	1.9
287.16501	84.3
288.16769	7.5
305.08151	3.0
305.17569	100.0
305.21002	4.9
306.17877	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	305.1756
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.36903	0.9
55.01877	1.3
57.03436	2.9
59.01373	8.3
59.47449	1.1
61.98832	1.1
65.03953	3.2
71.05019	8.2
71.62115	1.6
72.00469	1.0
79.05527	10.6
93.03460	2.5
95.05014	1.7
96.95977	1.0
97.06590	15.5
98.06958	1.1
106.04239	8.5
107.05025	3.0
109.06590	3.1
119.05042	1.5
120.05837	6.5
121.06586	4.6
123.08138	7.1
125.09723	17.9
127.07617	1.1
133.06595	1.3
135.08160	100.0
136.08519	3.2
137.09695	2.2
141.01691	3.2
151.11250	3.4
162.16330	1.0
163.11275	1.2
185.11786	3.0
189.12883	1.7
205.15912	5.0
207.10249	3.8
209.11903	1.8
231.13794	2.2
233.11755	1.9
249.14925	47.9
250.15318	4.5
263.16415	2.6
269.15268	2.0
287.16449	6.4
305.17551	75.1
306.17883	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	305.2484
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
57.78501	0.5
59.01374	1.6
61.98845	0.6
64.00364	0.6
70.47591	1.0
70.47987	1.1
70.67511	0.5
112.98581	0.5
133.83113	0.4
141.01700	0.9
178.41017	0.5
190.05173	0.5
200.52003	0.5
271.25052	0.5
274.06683	0.5
305.24838	100.0
306.25189	11.2
327.74283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15380	0.2
54.85952	0.2
61.98825	100.0
71.01379	0.2
71.61549	0.3
78.95916	0.3
109.91067	0.3
111.02015	0.8
112.02349	0.8
122.03712	0.4
123.04066	0.3
130.08711	1.2
130.50308	0.2
147.77995	0.2
152.07164	2.1
153.07504	1.8
202.86978	0.3
256.36737	0.2
288.54819	0.2
306.03296	0.2
306.13928	0.4
307.13818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67889	0.8
59.01376	3.5
60.53297	0.9
63.28998	0.9
65.04711	0.9
69.24512	0.9
69.62983	2.5
69.63394	3.3
71.01383	1.9
79.95729	1.0
87.02737	2.3
96.96007	37.0
97.95924	1.9
98.95613	4.6
109.02944	1.0
116.01767	1.2
131.05344	1.2
133.06926	100.0
134.07213	2.2
158.57397	0.9
220.10141	2.6
241.45505	0.9
262.11151	11.0
306.07306	2.6
306.10907	22.5
307.10489	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	306.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37585	0.4
52.08035	0.4
54.79949	0.4
59.01376	2.3
61.98824	100.0
62.34966	0.5
63.99253	1.8
69.37115	3.8
71.01384	1.2
84.19012	0.4
94.08852	0.5
103.03989	0.7
115.38420	0.4
120.97279	0.5
121.02947	0.9
127.69364	0.4
128.31926	0.5
134.96992	0.7
136.93973	0.9
136.96745	1.6
161.98901	2.2
162.96503	0.8
162.99120	2.2
163.98621	3.1
164.96370	47.9
165.01830	0.6
165.96480	2.5
176.98111	0.7
178.94934	0.4
178.97829	0.6
205.00043	0.5
205.99583	0.4
206.97423	18.1
207.97420	1.1
266.84058	0.5
306.97327	15.5
307.00116	2.1
307.97137	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	307.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91643	0.3
59.01376	0.8
67.24967	0.3
69.45797	1.0
69.46222	1.7
71.01396	0.7
74.99067	6.0
81.14817	0.3
91.02207	2.8
93.00141	1.8
143.05363	0.5
149.00914	2.4
157.05008	0.3
159.08463	7.9
161.06407	1.4
168.53960	0.3
192.98108	0.8
206.99791	1.6
209.01241	2.5
217.07176	1.0
223.02821	51.1
224.02881	4.5
241.03889	0.7
275.06030	0.7
289.07544	1.9
291.09070	100.0
292.09219	12.6
307.12177	4.2
308.12271	0.6
309.10114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81425	0.4
54.61878	0.4
58.99223	0.4
59.01378	1.9
59.96719	0.4
61.82751	0.4
61.98823	0.4
62.29290	0.4
69.53051	1.9
69.53459	0.5
70.00859	0.4
71.01368	1.1
74.99064	6.5
91.02200	2.8
93.00138	1.8
95.84486	0.4
95.95341	0.3
96.96007	0.5
98.19772	0.6
99.08245	0.3
103.03979	0.8
149.00966	2.3
159.08458	7.2
161.06372	1.5
192.98227	0.5
206.99701	1.0
209.01231	2.3
217.07155	0.4
223.02805	49.8
224.02843	4.7
241.03883	0.8
241.73007	0.4
275.06277	0.4
289.07587	1.5
290.07944	0.4
291.09070	100.0
292.09192	13.8
307.12277	4.0
307.19183	0.9
307.22446	0.4
308.12286	0.4
309.10156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61601	0.2
50.67754	0.2
56.92002	0.2
59.01373	5.3
60.01705	0.5
61.98825	100.0
63.64009	0.2
64.04830	0.2
70.06458	0.8
91.78241	0.2
116.02653	0.3
117.02258	0.4
133.46030	0.2
134.96991	0.4
147.71759	0.2
159.01456	1.1
160.01590	2.4
161.01184	3.0
161.98932	20.1
162.96486	0.4
162.99042	1.3
168.13846	0.3
202.02699	0.5
203.02356	0.6
203.99959	4.2
204.02078	0.3
204.02682	0.3
261.98965	0.4
281.79385	0.2
303.41013	0.2
303.99942	13.7
304.02719	1.6
304.99881	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	304.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.8
59.01374	11.3
67.03020	4.7
69.95521	11.8
71.01358	12.7
73.23105	2.2
74.02461	18.9
78.95911	12.3
83.01374	5.7
85.02958	4.3
89.02436	3.4
96.95972	2.3
96.96934	3.2
97.67432	2.5
99.00895	26.4
103.91982	2.8
104.03533	5.7
110.03600	38.1
111.00872	3.2
111.01994	41.6
112.98803	100.0
115.00360	4.9
120.01249	2.5
124.98763	3.2
127.00344	2.4
129.01959	2.9
129.10336	6.3
130.08731	74.3
131.08971	3.6
134.62724	2.3
135.04555	3.6
142.99849	44.5
143.11858	4.3
143.87590	2.8
145.01418	4.1
152.07112	20.0
155.11874	7.2
173.00893	40.6
186.12506	5.8
188.09288	3.1
200.14023	4.9
206.68193	2.4
212.13995	3.6
241.01469	2.2
244.13052	3.2
253.57181	2.8
260.12598	9.7
264.51007	2.7
274.14050	13.2
286.10922	3.1
304.15115	20.2
305.13617	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02280	0.2
58.02971	38.7
59.01377	0.8
59.03313	0.4
69.88541	0.5
69.88940	0.7
76.00860	0.2
79.19187	0.2
86.07625	0.2
99.04524	0.8
141.01663	0.4
167.79028	0.3
168.13922	100.0
169.14278	6.2
212.12857	2.8
243.17598	0.3
287.16440	0.7
304.19305	1.3
305.17590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0696
Annotation	EPIGALLOCATECHIN
Peak:m/z	Relative Intensity
56.09251	0.6
59.01374	20.1
59.60070	0.6
60.00862	0.6
63.74394	0.6
69.61214	4.0
79.95726	1.2
81.25697	0.6
84.24308	0.6
96.96002	65.8
98.19931	1.2
119.02608	0.5
135.36154	0.6
137.41644	0.5
147.08151	1.1
225.11281	15.6
226.11661	0.8
248.11272	0.7
305.06973	100.0
306.07336	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	305.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18280	0.7
58.02968	2.3
59.01376	42.0
71.01372	6.4
71.31107	1.2
71.31442	0.8
73.02950	1.0
74.02460	2.0
79.24541	0.7
79.95738	3.4
83.01373	0.9
83.09631	0.7
84.04546	1.1
85.02946	2.2
88.04028	8.8
89.02457	3.6
96.96004	100.0
97.06580	2.7
98.02415	1.2
101.02432	2.6
113.02482	1.6
115.00368	6.4
116.03549	1.1
119.03486	2.1
123.08157	1.3
128.03517	3.4
128.05051	1.2
131.03745	4.8
132.03064	4.9
132.04555	5.3
135.04575	0.9
144.04517	5.8
146.06116	6.8
147.08215	1.0
157.07707	4.4
158.06117	2.9
161.04576	0.8
162.05574	0.9
171.05612	1.3
172.04031	2.4
175.08711	3.0
178.79538	0.7
189.06671	8.2
190.05074	1.5
219.07713	2.9
225.11322	17.1
226.11630	0.8
241.61430	0.9
243.07542	0.9
261.08795	15.7
262.08966	1.2
269.61270	0.8
297.40109	0.8
305.07019	87.4
305.12259	4.4
306.07355	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	303.1197
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01844	2.5
68.05038	1.3
70.19849	2.1
71.01376	42.0
72.04534	3.1
72.99290	3.7
77.31856	0.7
78.95869	0.7
82.02946	1.2
83.01324	0.6
84.04513	2.8
85.07709	10.6
98.02407	0.9
99.05623	10.7
100.04038	30.4
101.02426	0.7
101.04354	0.9
102.05573	1.2
110.06103	0.6
111.05624	7.0
112.04011	1.6
114.51449	0.7
117.06676	1.5
118.05098	18.8
126.98831	2.7
129.06712	3.3
130.05081	1.4
139.08768	3.6
140.07152	3.0
141.10286	1.2
144.06549	1.0
144.74016	0.6
151.08778	0.7
157.09819	5.4
165.06580	1.0
168.10216	0.6
168.99904	0.7
175.10901	1.2
180.27631	0.6
182.97849	4.0
183.07732	17.3
184.06184	0.8
184.07997	1.3
185.09209	2.3
186.07582	0.8
187.10847	33.3
188.11177	1.1
201.08794	16.8
202.07295	0.7
202.09032	0.7
213.08797	15.5
213.12216	0.9
219.09789	2.6
223.10902	4.9
229.80890	0.7
231.09811	1.6
241.11897	13.9
242.99942	1.4
253.46675	0.7
257.11362	0.9
259.12927	7.3
267.09836	1.7
272.73621	0.7
275.12479	1.3
285.10870	100.0
286.11273	6.2
303.11929	27.0
304.12076	2.0
305.17139	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74741	0.6
59.01376	100.0
60.01725	0.9
71.01377	14.5
71.01756	0.9
72.01720	0.5
72.99324	0.8
73.02939	12.7
83.01368	2.9
85.02952	2.5
89.02441	5.7
90.98196	0.5
96.90699	0.5
96.96025	1.9
97.02979	0.7
101.02433	8.4
101.02985	0.8
105.23206	0.5
113.02451	5.2
119.03516	1.6
120.99607	0.6
125.02417	1.0
129.01941	0.8
131.03600	0.8
161.04546	0.8
185.11815	1.2
203.03233	0.6
207.07643	0.7
285.00571	1.1
303.01535	1.6
303.08942	0.9
303.14377	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76762	0.4
55.01875	0.5
57.03439	0.7
59.01374	100.0
60.01711	1.2
70.25162	0.5
71.01381	6.4
71.63358	0.6
72.00882	0.5
72.99305	0.6
73.02939	1.9
74.02504	0.6
79.95757	0.6
83.01395	1.3
85.02945	3.6
89.02459	1.1
95.01405	0.5
96.96017	1.2
101.02426	4.5
113.02463	2.1
116.05066	0.9
116.97533	0.4
124.01619	0.4
136.01709	0.4
161.04581	1.5
203.08197	3.8
227.08284	1.4
259.11005	0.6
261.13339	3.7
302.41962	0.7
302.75647	0.7
303.08804	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18270	0.3
55.57239	0.3
59.01370	0.7
67.94527	0.3
68.41028	0.3
70.61487	0.4
70.61832	1.2
72.24580	0.3
72.99306	0.4
76.18221	0.3
82.99559	0.4
87.00869	6.4
89.77329	0.4
110.99092	0.4
123.99869	0.8
126.98560	0.4
137.02452	4.4
149.02452	1.2
151.99364	6.7
153.00153	6.7
155.01692	2.3
167.03517	0.9
168.99567	0.4
170.00461	2.4
183.01198	15.1
200.01468	100.0
200.70084	0.4
201.01776	5.3
215.03813	34.9
216.04227	1.8
247.76253	0.4
268.10269	0.4
269.53018	0.5
285.04294	0.6
285.10834	0.4
303.05429	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	303.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22236	6.4
53.00314	5.8
56.09265	5.5
57.03443	6.9
59.01369	21.3
61.49059	5.6
66.03466	6.9
67.03011	11.3
69.69376	28.7
69.69776	9.9
71.01373	29.0
73.02956	7.3
74.02455	19.0
78.95873	11.4
82.02992	14.6
83.01351	6.6
85.02929	9.6
87.00876	16.4
96.96004	9.8
99.00873	30.7
110.02470	39.7
110.03588	58.5
111.00871	5.5
111.01983	69.1
111.03560	5.2
112.98805	100.0
115.00353	7.3
118.05077	8.0
123.04436	7.9
126.90736	5.4
128.03467	7.9
128.07195	9.7
129.10332	8.9
130.08719	93.1
135.04492	12.3
140.02267	17.8
141.00111	7.0
141.01907	5.8
141.03038	11.6
142.99828	39.7
152.03552	7.4
152.07156	27.0
173.00842	33.3
183.07597	6.0
183.97276	6.6
186.12428	7.0
187.10783	8.8
200.05603	22.4
243.06212	77.2
260.12445	11.0
274.13965	7.1
285.10831	22.8
300.90634	6.2
303.08173	18.3
303.11108	10.0
304.14859	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	303.1195
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
54.39206	1.2
55.01867	2.8
57.91584	1.3
59.01370	3.5
62.60104	1.2
67.03024	2.7
68.05053	1.6
70.02972	1.3
71.01374	48.1
71.61484	2.1
72.01701	1.6
72.04551	2.5
72.99311	5.3
73.02927	1.9
74.02484	2.7
78.95895	26.2
79.57472	1.1
82.02981	2.7
84.04554	3.0
84.93299	1.2
85.02959	4.6
85.07693	9.3
85.67627	1.2
87.00873	17.7
87.92522	6.1
88.04020	1.5
89.02459	1.4
96.96002	5.3
96.96955	34.3
97.02962	1.5
97.95080	1.4
98.02487	1.3
99.00879	3.3
99.05643	13.3
100.04041	31.6
100.04710	1.7
100.92772	1.1
101.02421	1.6
103.04020	1.5
103.91998	6.9
104.92794	2.3
110.02478	1.5
110.03600	14.0
110.98543	5.0
111.00864	1.6
111.02003	2.9
111.05636	5.6
112.04014	2.2
112.81159	1.2
112.98780	1.4
113.38566	1.1
115.00352	2.3
118.05106	18.7
120.99689	6.4
126.98869	3.9
128.96814	2.9
129.06676	3.3
129.10304	1.3
130.05122	2.2
138.05521	1.8
139.08780	2.3
140.07176	3.3
142.99846	3.2
157.09819	6.5
161.96136	2.0
173.00912	1.8
175.02554	2.0
180.06538	1.3
183.01198	1.7
183.07739	14.7
185.09303	3.4
187.10875	35.6
187.12544	2.0
198.97316	2.3
199.94084	3.0
199.97408	1.3
200.01460	20.0
201.08788	19.8
202.09166	1.3
213.06837	2.0
213.08792	17.2
215.03833	5.3
219.09793	2.7
223.10825	3.2
241.11891	15.4
241.79648	1.2
243.06198	1.9
259.12991	5.1
267.10010	1.5
268.10150	1.5
282.50955	1.3
285.10855	100.0
286.11102	7.1
303.11923	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	302.066
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	3.4
59.01365	11.6
61.98828	18.0
70.02959	6.6
70.56858	9.3
70.57231	4.0
71.01371	71.2
72.99319	7.1
73.04057	9.8
74.02454	17.4
74.99088	21.8
75.99423	6.8
76.98673	4.9
78.95889	8.3
79.91940	2.7
82.02970	3.6
84.04529	4.9
85.02937	7.9
85.07703	7.2
87.00857	21.0
87.05600	2.9
88.04041	34.2
96.96007	18.8
96.96936	8.3
97.04040	2.6
98.02461	7.0
98.19893	2.8
99.05625	18.5
99.06213	2.6
100.04031	36.3
101.02422	4.0
101.07204	6.3
105.24238	2.9
107.78661	3.0
109.03020	3.5
110.02406	3.6
111.01999	2.8
111.05610	7.3
112.04032	3.9
113.02444	4.3
113.03495	6.6
114.01865	3.2
115.00370	34.0
116.07164	15.3
118.05117	18.2
120.99694	4.0
123.00868	9.3
124.01228	4.7
124.04008	8.9
127.05132	5.1
128.03554	5.8
129.06667	3.6
129.10316	15.5
130.08696	6.0
132.03009	8.3
134.04698	8.0
136.99164	16.5
137.99379	3.8
138.03204	3.5
138.05571	9.8
138.10637	2.7
139.00345	4.4
139.03935	11.9
139.08757	6.2
140.01181	3.3
140.04321	9.3
140.07106	6.3
141.00146	6.1
141.06679	6.7
141.10335	6.0
149.02391	2.9
149.27156	3.0
157.09828	5.0
164.07179	5.6
166.08719	4.5
168.11435	4.9
169.09802	13.2
179.11775	3.4
182.09300	8.7
183.07811	15.9
183.11252	4.7
185.09160	4.8
186.12460	71.0
187.09285	4.0
187.10880	56.4
187.12552	7.4
199.02974	4.9
200.01520	16.5
200.03084	3.2
201.08734	19.8
213.08780	20.3
215.03773	6.2
240.13553	3.5
241.11789	17.4
258.14639	27.7
259.12888	6.1
267.09830	29.5
284.12503	65.9
285.10834	100.0
302.06293	13.4
302.09729	6.1
302.13455	75.4
302.16986	6.6
303.11670	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49208	0.4
59.01379	0.6
63.02393	9.1
65.00315	12.6
66.00660	0.4
69.26609	0.3
70.36987	1.5
80.02681	1.4
83.01384	7.3
91.29417	0.4
107.01382	24.1
108.02178	12.6
109.03012	0.5
123.00886	0.7
123.04541	3.0
124.01694	0.6
125.02427	1.1
134.03731	35.1
135.04233	1.3
136.01656	7.8
137.02429	0.6
149.06068	22.2
150.06410	0.8
151.00357	52.4
152.00772	1.7
157.41919	0.4
164.01129	11.5
165.01892	3.1
169.01411	1.6
174.03204	1.6
175.03937	0.4
177.01909	7.6
196.00093	5.1
199.03976	1.1
201.01897	1.5
215.03508	0.5
216.04315	0.5
241.04980	0.4
242.05629	0.6
257.08179	0.5
258.05249	0.8
268.03729	0.4
285.04041	0.8
286.04776	2.8
301.07138	100.0
302.07455	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47556	0.5
57.03444	0.6
59.01371	2.5
65.00314	2.2
65.65021	0.5
70.97861	0.4
72.02161	0.9
87.04509	7.2
95.01372	1.2
96.99309	1.0
97.06562	0.5
107.82294	0.4
108.02050	0.5
110.00086	5.5
111.00887	6.0
111.04513	0.7
113.02448	1.7
117.05003	0.4
123.00900	0.9
124.01669	0.5
125.02451	0.7
133.02972	1.2
136.98773	4.2
137.02402	0.8
137.99576	1.3
138.99287	0.7
139.00369	17.5
140.01149	100.0
141.01500	2.2
152.01100	0.7
155.03493	68.9
156.03835	2.7
165.99066	2.4
168.00620	1.6
214.61485	0.6
225.05563	1.0
227.10767	1.6
229.07191	0.5
240.04219	0.5
242.02057	0.7
242.57614	0.5
247.75548	0.5
286.01782	0.6
286.04770	9.2
287.05264	0.8
301.07144	62.3
301.20300	1.6
302.07498	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	301.1658
Annotation	Viridamine
Peak:m/z	Relative Intensity
56.45337	0.2
59.01376	0.2
59.44211	0.2
60.97490	0.9
69.90900	0.9
71.01022	0.2
74.98715	0.2
74.99077	0.7
76.96957	0.2
98.19962	0.3
118.96175	0.8
120.97820	0.2
130.45747	0.2
134.99388	5.1
135.99324	0.3
136.97324	1.8
141.07375	0.5
143.05313	1.1
150.98883	0.4
158.59305	0.1
159.08447	1.1
161.06378	5.8
180.31790	0.2
187.04333	0.3
201.04091	0.5
203.05653	3.0
204.05754	0.3
205.03586	0.9
215.05600	0.9
217.07176	84.9
218.07303	7.6
235.08250	0.2
261.06201	0.8
283.11911	0.6
283.15289	0.2
285.13437	34.8
286.13620	4.0
301.16562	100.0
302.16779	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	301.0714
Annotation	Lanceoletin
Peak:m/z	Relative Intensity
50.06195	0.8
51.96505	0.7
59.01372	2.6
69.65937	4.9
73.48198	0.9
79.95701	1.2
83.81284	0.7
95.01376	1.7
96.95999	3.4
106.04236	2.3
107.01398	0.9
107.05021	32.2
108.05360	1.3
121.02954	2.0
122.62251	0.7
123.00877	18.4
124.01651	100.0
125.02013	2.9
133.02948	38.4
134.03305	1.0
135.04517	28.4
139.00398	1.9
139.03998	62.0
140.04321	2.3
149.99586	9.3
151.00363	13.7
152.01122	14.2
161.02425	54.0
162.02789	3.0
165.01900	13.2
165.98958	1.1
178.99817	8.6
183.03018	6.8
224.04773	1.2
225.05780	0.9
240.04158	2.5
241.04959	1.3
242.05763	1.7
250.73398	0.9
255.06580	1.1
258.05188	6.4
267.03345	0.8
268.03690	5.0
273.07712	6.7
283.06094	2.9
286.04727	1.7
301.07156	45.7
301.20297	2.3
301.75052	1.1
302.07458	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	301.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
59.01384	2.8
61.98812	0.4
67.17801	0.3
71.01357	1.6
71.06335	0.5
71.06666	0.3
73.02940	0.7
73.04072	0.4
74.02463	0.9
74.99097	0.3
79.95747	1.0
80.96517	0.8
83.01373	0.5
85.02925	1.0
88.04025	0.8
96.96004	68.3
101.02435	1.7
113.02432	0.4
125.36247	0.3
128.72018	0.3
130.08730	0.6
135.04492	0.3
136.99088	0.4
137.02457	0.4
139.03995	0.4
169.09789	0.5
210.07747	0.4
241.00229	1.2
241.08344	0.4
258.14606	0.6
267.09814	1.5
284.12500	0.7
301.05954	100.0
302.06277	5.2
302.17111	0.4
308.51633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00143	0.7
57.03457	1.0
59.01400	1.1
65.00342	1.6
74.78423	0.7
75.29657	0.6
82.00598	1.2
87.04504	10.9
94.58490	0.8
95.48189	0.6
106.08347	0.8
110.00085	7.6
111.00939	4.8
112.00493	0.7
113.02479	1.2
117.03452	0.8
119.05055	4.3
122.98007	0.7
123.00852	0.8
125.99619	1.5
136.98811	1.8
137.99641	1.0
139.00369	2.6
140.01151	100.0
141.01515	2.4
155.03493	75.2
156.03838	2.7
165.99066	7.2
166.99417	1.9
167.99451	1.3
168.00661	3.5
178.99739	0.9
200.04842	0.8
213.04878	0.7
214.05353	1.8
216.03305	0.9
285.03409	2.5
286.03824	25.2
287.04056	1.6
301.06332	28.6
302.06647	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.17053	0.3
59.01385	0.3
65.00321	1.3
70.44225	0.3
71.61756	0.5
81.51199	0.3
86.09734	0.3
87.04505	4.7
95.01400	0.7
96.02184	0.4
96.99319	0.7
98.00079	0.4
110.00111	1.0
111.00874	5.5
111.04511	0.5
112.01663	0.9
113.02430	1.9
125.02477	0.6
133.02951	0.7
136.98801	2.8
139.00352	4.4
140.01149	100.0
141.01488	2.9
155.03491	55.8
156.03813	1.9
156.35895	0.3
165.99098	0.4
168.00609	0.4
183.04486	0.4
214.16910	0.3
225.05609	0.6
269.04471	0.4
286.04752	2.9
287.05234	0.6
301.07141	32.2
302.07523	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	300.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05979	0.5
58.02960	0.6
59.01377	2.2
63.73255	0.5
69.72066	2.0
69.72475	1.1
71.01372	0.7
88.27387	0.6
89.02418	0.7
96.96000	2.3
98.19927	1.0
102.05605	3.8
107.05044	2.1
114.05589	0.8
123.04499	0.8
128.03529	2.5
130.08727	6.1
133.02931	1.8
133.06924	2.7
134.03757	0.5
135.04517	100.0
136.03993	0.7
136.04868	4.7
138.05551	0.7
141.10370	0.7
143.11890	3.6
160.04051	0.8
161.02457	3.2
169.09886	0.7
178.05057	2.4
178.27359	0.6
188.47804	0.5
194.27029	0.6
199.18268	0.6
213.12527	0.8
221.04472	0.9
221.08527	1.9
243.02730	0.6
256.20239	1.6
264.08731	33.5
265.09106	2.9
285.03635	0.8
297.95041	0.7
300.02542	1.0
300.06012	1.3
300.09012	0.9
300.14673	0.7
300.15714	0.7
300.19312	7.1
301.04056	1.7
301.17377	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01429	10.2
70.05183	2.1
73.49391	0.7
96.95423	0.9
96.96005	28.7
98.19944	0.7
117.00523	0.6
120.28069	0.6
130.76918	0.6
134.96153	2.4
135.96121	0.9
136.93983	8.5
136.95856	1.9
137.94081	2.8
138.93753	3.9
145.89612	0.6
151.92767	1.6
153.17931	0.6
153.92542	0.9
159.01471	9.2
159.02661	0.7
168.45200	0.6
178.95045	8.9
179.95148	3.8
180.94727	5.6
195.91911	0.9
196.92816	1.4
197.90762	0.9
198.40787	0.9
198.90604	0.9
201.02649	1.7
215.48340	0.6
227.90797	0.7
237.30750	0.7
238.38481	0.7
238.88525	0.6
249.37094	1.7
249.86877	2.9
250.36871	0.7
256.89655	2.9
258.87378	35.3
259.88034	12.3
260.88284	1.3
271.36786	0.6
273.86130	14.4
274.86093	0.8
274.90668	7.5
275.88544	0.9
276.88443	100.0
277.88519	10.1
291.87192	39.1
292.87326	3.6
300.38724	2.8
300.88428	26.1
301.02548	4.6
301.38458	1.2
301.88541	2.3
318.89526	71.8
319.89645	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	301.0351
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.06386	0.5
54.18279	0.5
59.01368	1.6
63.02390	7.5
65.00320	12.9
71.00407	0.9
79.77411	0.4
79.95763	0.6
80.02669	0.5
83.01375	9.3
85.87878	0.5
89.13311	0.6
93.01463	0.4
93.03465	5.1
95.01393	1.2
96.95996	1.4
99.87759	0.5
106.06545	0.5
107.01381	20.2
107.05028	7.5
108.04551	1.8
109.02950	2.0
111.00863	3.1
117.03464	1.0
121.02952	17.4
124.01637	0.7
124.07687	1.0
125.02415	0.9
135.04510	5.5
136.07672	3.8
139.04005	1.2
140.01152	1.3
143.05005	2.2
148.01642	0.7
149.02428	3.0
151.00365	61.0
152.00722	1.9
155.03523	0.7
157.06592	0.5
159.04434	1.1
161.02451	1.2
163.00369	1.5
163.04007	0.6
164.01112	1.6
169.01416	2.0
178.99846	23.4
180.00172	1.2
180.96219	0.5
185.05980	0.6
185.38742	0.5
187.03934	1.0
193.01340	1.1
201.05521	0.7
205.05115	0.5
211.04025	0.8
213.01962	0.7
227.03444	1.5
229.05002	1.5
236.03320	0.5
243.03008	0.6
245.04585	1.7
255.02914	0.8
257.04504	1.3
257.12906	7.8
273.04068	2.4
284.03122	0.7
286.04977	0.9
301.03510	100.0
302.03827	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	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.43248	0.7
51.81905	0.7
59.01377	1.3
61.98820	0.8
70.32646	2.2
71.33097	0.8
75.00854	0.8
123.01105	0.8
129.96027	0.7
188.50578	0.8
204.77768	0.9
225.22162	1.5
251.23727	3.2
253.25346	56.7
254.25742	4.3
281.25015	1.0
284.03271	6.0
299.05542	4.8
299.25879	100.0
300.26236	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	299.2588
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
57.03421	0.5
58.36442	0.4
59.01376	3.0
61.98825	0.4
64.76739	0.3
69.41579	0.6
69.41981	2.7
73.94630	0.4
75.64571	0.4
81.40297	0.4
83.05014	2.1
85.06580	9.1
89.02450	0.4
97.36871	0.4
99.08154	1.4
105.49212	0.4
111.08153	0.6
111.58218	0.4
119.05046	0.5
174.99236	0.5
193.12863	0.4
195.17572	0.4
197.19086	7.6
198.19554	0.4
217.00259	1.5
225.29044	0.4
226.49289	0.4
240.04323	0.6
253.25342	13.7
254.25626	1.0
263.23709	1.1
281.24811	1.4
284.03204	4.6
293.37692	0.4
297.24313	1.5
299.05600	3.9
299.25879	100.0
300.26227	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	299.2587
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
50.23343	0.7
52.73875	0.7
59.01377	100.0
60.01701	1.3
61.98796	0.9
64.87817	0.9
70.89463	1.7
71.01364	1.0
89.02441	0.9
101.02418	1.0
119.04989	1.5
137.02411	1.4
207.68518	0.8
212.45120	1.0
230.86122	0.8
242.84958	1.0
284.03198	12.6
299.05612	7.5
299.25879	57.5
300.26230	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	299.077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76537	0.3
59.01364	1.0
65.03959	0.3
69.49342	2.1
71.01383	3.3
73.02951	0.7
85.02927	1.3
89.02431	0.7
93.03452	59.7
94.03780	1.6
99.00851	0.3
101.02426	1.1
113.02430	0.9
137.02434	100.0
138.02768	3.8
138.05606	0.5
152.56924	0.3
154.78568	0.3
161.04480	0.5
168.33592	0.3
181.03610	0.3
217.00304	0.3
228.11823	0.3
273.33081	0.3
290.93042	0.3
299.07794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
56.57446	0.4
56.93299	0.3
57.03444	0.4
59.01377	1.6
64.90013	0.3
69.49332	2.5
71.01378	2.7
73.02935	0.6
76.42423	0.3
83.01366	0.3
85.02946	0.9
89.02439	0.7
93.03452	59.1
94.03757	2.3
99.00888	0.3
101.02447	1.2
113.02465	0.9
123.43636	0.3
123.44539	0.4
124.42926	0.3
133.45695	0.3
137.02435	100.0
138.02776	3.5
138.05605	0.7
147.77756	0.3
159.86249	0.3
161.04515	0.4
217.30319	0.3
222.67360	0.3
299.07697	1.2
300.51932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
65.00314	4.4
65.15612	0.4
67.01875	3.3
68.99811	3.4
69.03463	1.9
69.53902	3.5
79.01902	1.9
79.14307	0.4
81.03455	1.6
83.01371	5.5
85.02956	3.5
93.03454	7.0
95.01377	12.2
97.02924	2.4
105.99596	0.5
107.01379	4.1
109.02945	1.8
110.51886	0.5
111.00861	1.0
117.03457	5.4
119.05015	23.8
120.05337	1.1
123.00884	12.6
124.01669	3.4
125.02441	17.0
126.02683	0.5
135.00917	0.6
137.02417	0.9
143.05014	1.3
145.02943	2.6
151.00362	4.3
153.01929	100.0
154.02275	4.1
165.01936	1.5
178.99846	3.7
185.06120	0.6
193.01433	4.4
205.01460	0.6
217.83902	0.5
227.03490	0.5
231.37202	0.5
253.04930	0.6
269.04642	0.6
281.04590	1.2
299.05563	26.6
300.05872	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	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23510	0.5
59.01405	1.1
65.00322	4.7
72.99310	0.5
82.00645	0.7
87.21109	0.5
95.01379	0.8
110.00092	8.6
111.00912	0.7
113.02477	1.0
123.00867	1.2
126.11416	0.5
136.98784	4.6
137.99577	2.7
143.04990	0.6
159.04494	0.7
165.99045	8.5
178.02818	0.8
183.04495	1.2
184.05177	0.9
187.03983	4.4
188.04817	2.1
199.03932	0.7
200.04799	5.7
211.03981	3.8
212.04765	14.9
213.01889	1.5
214.02698	9.8
218.44383	0.6
227.03456	1.5
228.04306	2.0
239.03365	0.7
240.04233	1.4
255.03012	1.0
256.03793	3.6
260.03305	0.7
283.02454	1.2
284.03241	100.0
285.03583	8.8
299.05579	72.0
300.05957	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	299.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66969	1.1
57.10202	1.2
59.01379	10.0
65.00309	6.5
65.03956	1.2
66.56390	0.8
67.01884	1.3
68.99811	2.9
69.03434	1.6
71.01379	2.3
74.18523	1.0
79.95733	1.1
81.03451	4.2
83.01391	2.5
85.02938	2.9
89.02463	1.6
91.01881	1.9
93.03433	6.2
95.01381	6.7
97.02943	2.1
107.01375	2.5
107.05027	1.9
108.02170	54.7
109.02960	34.0
110.03306	1.2
113.02448	1.7
117.03484	1.3
119.05016	8.2
121.02939	2.1
123.00885	8.1
124.01689	2.5
125.02420	5.8
133.02950	78.6
134.03282	2.3
135.00854	2.7
136.01590	1.2
136.98805	3.3
137.02437	100.0
138.02762	2.5
143.05013	1.4
151.00294	1.6
152.01122	1.2
153.01927	35.4
157.29202	1.0
165.01993	1.3
171.04431	1.2
174.99138	1.5
178.99745	1.4
192.00621	5.6
193.01308	2.7
197.06110	1.2
199.04010	6.9
211.04007	1.1
217.00356	5.2
227.03568	1.8
229.28046	1.0
241.04874	1.0
253.05002	1.3
255.02974	1.7
255.06506	2.5
256.03717	1.7
269.04712	1.1
271.02603	9.7
271.06082	94.2
272.06430	7.1
278.03256	1.0
281.04453	1.3
284.03214	16.9
298.94406	1.4
299.01974	12.8
299.05560	40.3
299.09012	2.0
299.18875	1.6
300.02597	1.6
300.05859	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51442	0.4
53.00333	0.4
53.33430	0.3
57.03446	1.3
59.01379	2.2
62.72883	0.3
65.00320	4.5
65.03967	0.5
65.36658	0.3
65.46931	0.4
67.01894	3.3
68.99818	3.9
69.03452	1.9
71.01054	0.8
73.96029	0.4
79.01888	1.0
79.08930	0.4
81.03462	1.4
83.01378	4.8
85.02950	4.6
91.01864	0.5
93.03470	0.7
95.01384	16.2
95.01993	0.9
97.02945	1.7
101.02409	0.6
103.36778	0.4
107.01379	4.0
109.02937	1.3
110.00117	0.5
111.00868	1.3
117.03473	0.5
119.05023	2.5
123.00880	14.9
124.01677	3.8
125.02446	16.5
126.02724	0.8
133.02968	1.3
135.00853	0.4
151.00359	5.1
151.16913	0.4
152.01091	2.0
153.01924	100.0
154.02278	4.1
168.78642	0.4
178.99854	1.2
193.01414	0.7
197.05960	0.5
200.04747	0.4
217.00284	1.3
284.03317	4.5
299.05573	36.7
299.22232	0.6
300.05960	2.7
305.72195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0558
Annotation	Koparin
Peak:m/z	Relative Intensity
51.70839	0.2
59.01351	0.7
61.98814	0.3
64.99995	0.4
65.00317	5.5
68.99808	0.7
69.24504	2.2
72.99271	0.5
82.00596	0.5
83.01344	0.2
83.27123	0.2
89.02433	0.3
91.37026	0.2
95.01369	0.4
96.99312	0.5
98.14991	0.2
108.99277	0.5
110.00089	14.8
111.00838	0.7
113.02449	0.4
119.04926	0.3
122.00026	0.3
123.00903	1.2
124.98791	0.3
125.99612	0.3
133.02904	0.4
134.03674	0.4
136.97778	0.3
136.98799	5.4
137.99596	3.2
139.00182	0.2
141.99023	0.6
143.05009	0.5
146.03683	0.2
147.40378	0.2
152.98225	0.2
159.04504	0.5
163.00278	0.3
165.99059	17.9
166.25740	0.2
166.99307	0.4
167.04922	0.5
172.05232	0.5
178.02679	0.9
183.04488	1.5
184.05093	0.4
185.02388	0.8
186.03117	0.4
187.03987	4.2
188.04744	1.6
199.03940	0.7
200.04776	5.4
201.05107	0.5
202.02658	0.5
211.03987	3.3
212.04768	10.0
213.01936	1.9
213.05132	0.9
214.02687	7.6
215.03032	0.5
216.04233	0.5
227.03487	1.2
228.04289	1.3
231.06500	0.2
239.03458	1.0
240.04176	1.1
255.02898	1.3
256.03717	1.6
257.04153	0.4
260.03174	0.7
267.03006	0.3
283.02402	1.7
284.03226	100.0
285.00439	0.4
285.03589	8.5
299.05566	87.6
300.05920	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38583	0.2
59.01375	1.7
70.19966	0.8
71.01344	0.3
101.02403	0.3
122.69371	0.2
138.98830	0.2
148.79837	0.2
183.01198	3.5
184.01932	0.6
216.00960	0.3
237.09756	0.3
251.23795	1.1
279.18747	0.3
279.23242	1.1
282.01694	0.2
295.22729	1.0
297.04059	0.5
297.15298	8.3
297.24304	100.0
298.15582	0.7
298.24640	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	298.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
69.49284	1.9
71.01387	0.4
87.46017	0.3
88.15735	0.3
88.20157	0.3
91.05537	1.6
93.03480	0.7
95.05024	0.4
96.95976	0.5
98.20596	0.6
105.14508	0.3
106.04222	0.9
107.05029	3.8
108.02131	0.4
109.02918	0.4
117.03460	0.9
119.05025	7.7
119.05884	0.4
121.02955	0.4
122.03720	0.7
123.04486	1.6
133.02943	1.6
134.03740	2.8
134.06128	0.9
135.04517	74.0
136.03998	1.4
136.04866	3.3
136.07660	5.9
137.08073	0.3
145.02950	4.2
147.04521	1.9
148.04141	0.5
148.05295	10.7
149.04736	0.4
149.05769	0.4
152.07153	4.9
154.46007	0.3
160.04045	1.1
160.69128	0.3
161.02443	5.7
162.02989	0.3
162.05627	0.8
176.03590	0.4
178.05083	13.4
179.05492	0.5
190.05078	4.0
191.05392	0.3
256.09772	1.1
284.03214	0.6
298.10809	100.0
299.02133	0.5
299.05872	0.5
299.11166	10.4
318.49832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0556
Annotation	alnusin
Peak:m/z	Relative Intensity
50.26040	1.0
59.01374	8.7
65.00319	8.2
68.99825	0.8
71.05028	1.1
71.62703	1.2
79.01889	1.5
79.95722	3.1
83.01375	2.0
85.02942	2.5
89.02435	2.3
93.03457	2.1
95.01376	3.0
96.19819	0.8
96.96008	13.1
97.02930	2.6
101.02400	1.1
107.01362	1.0
108.02161	1.1
109.02988	1.2
110.00082	10.7
113.02474	1.4
119.05018	7.3
121.02936	2.7
123.00867	3.4
125.02410	3.4
130.08710	1.0
133.02953	6.5
134.03705	0.8
136.98836	5.6
137.02402	1.8
137.99545	2.1
138.97018	1.0
139.03993	7.3
143.04944	1.2
143.07014	1.2
145.02892	1.3
151.00400	1.7
153.01927	23.0
154.02289	1.2
157.03096	0.9
165.01921	5.5
165.99055	18.0
183.04472	1.5
183.10175	1.4
185.02405	1.2
187.03951	5.0
188.04651	2.1
199.03941	3.4
200.04729	3.4
211.03879	3.1
212.04736	10.4
213.01846	1.3
214.02673	4.3
217.00203	1.8
227.03499	2.7
239.03418	1.5
240.04169	0.9
255.02928	1.7
255.06705	1.6
256.03705	2.0
256.08810	1.1
256.99634	1.3
271.02438	6.6
271.06180	1.6
281.04535	2.2
283.02350	2.1
284.03244	91.8
285.03571	8.5
299.02039	9.9
299.05566	100.0
299.08789	3.9
299.18613	8.0
299.58884	1.1
300.05899	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	299.0551
Annotation	Koparin
Peak:m/z	Relative Intensity
59.01368	0.3
65.00315	6.1
67.28469	0.1
67.77747	0.1
68.99809	0.6
72.99318	0.4
78.41631	0.1
79.95743	0.4
82.00597	0.4
95.01362	0.4
96.96003	1.0
96.99289	0.5
108.99287	0.6
110.00088	14.8
111.00912	0.4
113.02441	0.5
117.03442	0.3
122.00079	0.3
123.00887	1.3
124.98796	0.5
125.99576	0.2
128.38577	0.2
133.02937	0.6
134.03722	0.4
136.98790	5.4
137.99590	2.8
139.00204	0.2
139.84045	0.1
141.99045	0.5
143.05031	0.5
146.03709	0.3
151.00388	0.2
159.04463	0.4
163.00371	0.2
164.98395	0.1
165.99055	17.3
166.99374	0.5
167.04977	0.4
170.03728	0.4
172.05235	0.2
174.03094	0.2
178.02676	0.9
183.04475	1.3
184.05229	0.4
185.02379	0.9
186.03136	0.2
187.03992	4.1
188.04738	1.9
195.04512	0.2
199.04051	0.7
200.04771	4.9
201.05130	0.4
202.02686	0.5
211.03998	3.3
212.04768	10.5
213.01952	2.0
213.05116	0.8
214.02693	8.3
215.03050	0.5
216.04182	0.5
227.03442	1.4
228.04202	1.5
231.06654	0.4
235.58321	0.1
239.03448	0.9
240.04276	0.9
255.02972	1.5
256.03717	2.1
257.04080	0.2
260.03192	0.8
267.02850	0.3
270.30447	0.1
271.02469	0.3
281.54309	0.2
283.02463	1.6
284.03226	100.0
285.03571	8.6
299.05566	86.7
300.05911	8.6
320.77756	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65058	0.4
71.08111	1.0
87.81898	0.4
112.34540	0.4
119.09119	0.4
124.44584	0.5
127.11272	0.9
128.69077	0.4
141.12793	0.6
155.10777	3.0
171.10262	4.2
253.25311	0.5
261.22168	0.5
279.23322	6.9
297.24319	100.0
298.24652	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	297.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
69.46450	1.0
69.46863	2.6
79.29558	0.4
86.11633	0.4
97.06551	0.5
102.48728	0.5
104.88579	0.4
109.90530	0.5
111.27229	0.4
127.11366	0.5
169.12311	5.0
176.75063	0.4
183.01183	1.8
183.13884	12.6
184.14214	0.5
197.15483	0.5
207.48720	0.4
229.47073	0.4
261.22174	0.7
268.60864	0.4
279.23254	11.1
280.23523	0.8
295.22717	1.2
297.15344	3.8
297.24316	100.0
298.24646	10.4
301.08316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2432
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01392	0.8
64.74208	0.7
69.55361	4.0
125.09771	0.7
127.11267	2.1
136.68954	0.6
171.10260	12.6
172.10545	0.6
186.49643	0.5
241.43410	0.5
279.23251	13.1
280.23422	0.8
297.24319	100.0
298.24652	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	297.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33658	0.4
52.77726	0.3
58.72471	0.3
59.01377	4.5
61.98815	0.4
66.20371	0.4
68.99553	0.5
69.47213	2.9
71.01371	1.1
73.02933	1.3
75.00871	0.4
89.04264	0.4
99.77132	0.4
104.67333	0.3
112.98543	1.0
113.09720	0.5
121.06566	1.7
133.71451	0.4
139.11317	0.4
149.00946	3.7
155.14388	0.6
163.11267	1.9
183.01167	3.3
183.13867	1.4
198.38211	0.4
199.13356	3.8
237.09767	0.8
239.23778	0.9
264.98465	1.6
267.23395	0.5
269.24841	9.1
270.25281	0.7
279.23264	6.2
280.23428	0.6
281.01755	0.4
295.23059	0.4
297.04694	9.3
297.15411	6.6
297.24326	100.0
298.04651	2.0
298.15744	0.4
298.24658	10.3
299.02682	0.8
313.23782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33683	2.4
57.03442	3.0
59.01375	99.2
60.53391	2.2
69.57248	18.3
71.01376	67.4
71.42301	2.3
72.00896	15.0
72.01700	3.0
72.99272	6.2
73.02942	98.9
74.02470	11.4
75.00855	3.8
76.50812	2.2
78.95911	8.0
82.45494	2.3
83.01395	3.2
83.05005	6.8
85.02939	10.4
87.00870	12.2
88.04034	5.6
89.02437	86.2
90.02763	3.7
96.95994	4.0
96.96945	3.1
97.02927	2.9
99.00885	5.8
101.02439	36.6
105.01921	18.9
113.02432	26.1
115.00355	4.1
116.07174	27.0
117.01933	100.0
117.07533	14.3
118.05106	49.0
119.03493	24.1
121.02924	7.6
123.04506	12.3
125.25513	2.7
132.03055	6.0
135.04488	8.7
135.06602	11.0
138.05550	3.7
143.03471	7.6
152.01149	2.7
152.04837	3.0
153.05576	15.9
161.04573	21.5
163.03906	3.3
165.05476	2.7
179.05573	14.0
180.06650	11.4
181.07123	5.6
191.92143	2.6
195.06581	6.1
196.18793	3.0
205.93074	2.8
237.09686	2.9
297.08722	3.1
297.11743	24.9
297.24399	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	297.1341
Annotation	Tehranolide
Peak:m/z	Relative Intensity
57.03436	0.5
59.01387	2.3
60.89778	0.4
66.81560	0.4
71.01379	0.7
71.59251	0.5
71.62689	0.6
72.99302	10.0
73.52070	0.4
75.00868	100.0
76.01206	0.8
83.05023	0.7
96.95994	1.4
98.95628	0.6
101.02413	0.7
108.02164	1.1
109.02946	0.7
121.02956	0.5
123.04493	1.2
125.02443	0.6
125.06062	0.6
130.08713	0.5
131.03526	0.6
135.02997	0.8
135.04561	2.2
140.35884	0.4
147.00941	0.6
148.01630	0.9
149.02438	8.3
151.00432	0.5
151.99339	1.2
152.99693	1.4
154.62836	0.5
161.09731	0.7
165.00143	0.7
165.09154	0.9
166.00470	0.6
167.01764	2.8
167.02994	0.6
168.02078	4.0
168.99959	0.4
169.01340	1.5
179.10780	2.4
191.06914	0.4
193.01398	1.3
206.09447	4.2
208.99117	29.4
209.99490	1.2
218.08162	0.6
219.08540	1.7
221.11786	8.5
253.07263	1.6
296.57639	0.8
297.00830	1.0
297.13409	59.8
297.24301	1.7
298.13824	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0404
Annotation	5,7-Dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01391	1.2
63.46132	0.1
65.00294	0.9
66.71619	0.1
68.99807	1.5
71.01402	0.2
71.61962	0.1
96.99393	0.2
101.03928	0.3
117.03449	0.6
130.04233	0.6
132.02122	1.3
133.02940	0.6
140.02664	0.3
141.03458	1.3
145.02942	0.6
146.03729	0.2
148.01659	0.2
149.44606	0.2
154.04228	3.1
156.02170	1.4
157.02948	3.6
158.03616	0.3
161.02405	0.4
163.04016	0.4
168.02142	0.4
169.02924	1.6
170.03702	1.4
172.01649	0.3
173.02391	0.5
174.03204	0.3
181.02937	18.6
182.03703	10.9
183.04105	0.5
185.02422	3.3
186.45285	0.1
197.02411	0.3
198.03207	10.2
199.03572	0.8
201.01941	0.5
209.02315	0.9
210.03191	1.3
213.01917	0.4
214.02713	0.5
225.01909	4.7
226.02692	11.2
227.03059	0.9
229.01357	0.4
230.02145	0.7
237.01918	2.3
237.09743	0.3
238.02435	0.2
253.01393	55.7
254.01830	5.7
255.02620	0.2
265.01462	0.5
279.02808	0.2
281.00906	6.3
282.01666	100.0
283.02011	8.9
297.04007	74.9
297.20831	0.4
297.24313	0.9
298.04352	6.9
298.07785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.1
59.77444	0.6
60.20134	0.7
63.02396	1.8
63.96260	0.7
65.00324	20.4
67.01892	7.1
68.99813	5.7
69.47069	5.2
79.01892	2.9
83.01392	3.2
89.00325	2.4
91.01894	2.9
92.99778	0.8
95.01382	3.2
107.01377	11.7
108.99385	0.9
111.00932	3.5
117.03465	16.6
118.03796	1.1
123.00880	4.8
133.02942	3.1
135.00867	2.7
141.03429	1.5
143.05006	2.1
149.99579	1.8
151.00372	12.3
163.00346	1.0
167.04996	2.7
169.06549	1.8
171.04503	0.8
173.06119	1.0
176.98285	3.0
178.99849	30.7
179.05003	1.0
180.00179	0.9
181.02873	1.2
181.06538	1.0
183.04506	5.8
185.02417	13.5
186.02823	0.9
195.04475	2.1
196.05103	1.2
197.06039	3.8
201.05652	1.0
207.04475	2.5
211.03987	4.9
223.04034	2.0
225.05511	2.8
239.03523	3.7
241.05048	0.9
251.03470	2.1
265.05103	6.2
267.03006	3.2
268.03735	2.9
269.04538	9.2
295.02393	1.3
297.04022	100.0
298.04376	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	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33683	2.4
57.03442	3.0
59.01375	99.2
60.53391	2.2
69.57248	18.3
71.01376	67.4
71.42301	2.3
72.00896	15.0
72.01700	3.0
72.99272	6.2
73.02942	98.9
74.02470	11.4
75.00855	3.8
76.50812	2.2
78.95911	8.0
82.45494	2.3
83.01395	3.2
83.05005	6.8
85.02939	10.4
87.00870	12.2
88.04034	5.6
89.02437	86.2
90.02763	3.7
96.95994	4.0
96.96945	3.1
97.02927	2.9
99.00885	5.8
101.02439	36.6
105.01921	18.9
113.02432	26.1
115.00355	4.1
116.07174	27.0
117.01933	100.0
117.07533	14.3
118.05106	49.0
119.03493	24.1
121.02924	7.6
123.04506	12.3
125.25513	2.7
132.03055	6.0
135.04488	8.7
135.06602	11.0
138.05550	3.7
143.03471	7.6
152.01149	2.7
152.04837	3.0
153.05576	15.9
161.04573	21.5
163.03906	3.3
165.05476	2.7
179.05573	14.0
180.06650	11.4
181.07123	5.6
191.92143	2.6
195.06581	6.1
196.18793	3.0
205.93074	2.8
237.09686	2.9
297.08722	3.1
297.11743	24.9
297.24399	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	297.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44838	0.3
59.01354	1.2
61.37770	0.3
65.00313	1.8
65.08987	0.3
70.65912	0.8
75.75945	0.3
84.93718	0.2
85.44321	0.3
86.63105	0.3
119.01373	0.4
130.09261	0.3
133.02927	0.6
157.02946	2.3
163.44031	0.3
167.04990	1.6
168.62320	0.3
169.02998	0.3
169.06494	0.4
179.04959	0.6
181.02858	0.4
183.04498	1.1
195.04482	6.0
196.05002	0.3
197.02437	0.4
197.06042	1.1
207.04491	3.9
208.04933	0.3
209.02417	1.0
211.03996	1.7
213.05566	3.2
222.03181	0.9
223.03987	14.3
224.04279	0.9
225.01910	5.2
226.02336	0.5
233.02425	0.4
235.03967	4.6
236.04475	0.4
237.01917	5.5
238.02136	0.4
239.03453	1.0
241.05006	0.5
250.02679	2.1
251.03458	43.4
252.03822	2.7
253.01411	1.6
267.02927	0.6
269.04657	0.4
279.02951	100.0
280.03308	8.7
282.01599	1.2
284.06027	0.3
295.02475	0.7
297.04010	63.4
297.24304	0.6
298.04346	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	297.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
57.03495	0.3
58.29943	0.3
59.01134	0.3
59.01379	3.5
63.02399	1.9
63.73588	0.2
65.00322	19.0
66.00649	0.4
67.01888	6.7
68.99461	0.3
68.99817	4.3
69.03440	0.4
71.01379	0.5
71.16357	0.4
79.01890	3.2
83.01385	3.4
83.05054	0.2
89.00328	3.2
91.01885	2.6
92.99798	1.4
93.03437	0.3
95.01384	5.0
101.02427	0.5
104.99791	0.2
107.01384	10.7
108.99270	0.2
109.02932	1.1
111.00866	3.1
117.03460	17.8
118.03797	0.6
120.99292	0.7
121.02950	0.4
123.00878	7.6
124.01657	0.3
125.02448	0.3
129.03467	0.4
133.02954	3.5
135.00862	2.4
135.04535	0.4
136.98839	0.4
137.02422	0.8
139.05479	0.4
141.03481	1.6
143.05038	1.5
145.06589	0.5
149.99571	1.0
151.00360	10.6
152.00995	0.7
155.04959	0.8
157.02936	1.2
157.06572	0.4
159.04514	1.1
161.02426	1.0
167.04987	4.0
168.05345	0.4
169.01402	0.9
169.02858	0.5
169.06593	3.3
170.06915	0.5
171.04434	0.5
173.06044	1.0
176.98270	2.7
178.99846	25.9
179.04938	0.8
180.00162	1.2
181.02957	0.7
181.06560	0.6
182.03745	0.3
183.04491	6.8
185.02414	15.2
185.06004	0.7
186.02734	0.7
187.04016	0.5
193.00650	0.2
195.04504	3.3
196.05109	0.6
197.04349	0.4
197.06056	3.6
198.03227	0.4
198.06395	0.4
199.03967	1.0
201.05605	0.6
207.04475	2.8
209.19110	0.4
211.03996	4.9
212.04630	0.3
213.05617	0.9
222.03127	0.4
223.03993	3.4
224.04559	0.7
225.01984	0.6
225.05550	3.0
226.06029	0.5
227.03406	0.3
235.04002	0.4
237.09734	0.7
238.02634	0.3
239.03458	3.7
240.04047	0.5
241.05006	0.6
250.02745	0.3
251.03455	3.9
252.03848	0.3
253.18225	0.3
267.02972	3.5
268.03711	3.4
269.04501	12.0
270.04926	1.1
272.03189	0.7
279.02954	4.4
280.03156	0.4
282.01691	0.6
283.02527	0.3
295.02429	1.3
297.04013	100.0
297.24210	1.3
298.04361	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	296.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
53.50720	1.0
53.64903	1.0
57.03445	1.3
58.00564	1.4
59.01375	49.4
60.01717	1.4
65.46388	1.0
71.01376	39.8
71.60931	1.4
72.01726	1.2
72.99300	4.1
73.02943	15.0
75.00856	1.7
78.95898	3.4
83.01407	1.9
83.05029	1.3
85.02944	6.8
86.03291	1.5
87.00851	4.5
89.02441	53.5
90.02743	2.1
95.01353	1.6
96.95951	1.8
97.02937	1.2
98.43771	1.0
99.00861	2.3
101.02450	13.1
103.04001	6.4
104.04337	2.6
105.01929	4.5
107.42298	1.2
113.02440	11.9
114.02745	2.1
115.00352	2.3
115.04035	1.3
116.03537	2.4
116.07166	100.0
117.01931	15.3
117.07518	2.3
118.05087	2.4
119.03483	9.5
123.04504	2.9
129.01950	2.3
131.03525	1.4
132.02983	1.4
134.05362	1.3
135.06633	2.7
142.99829	2.7
143.03467	3.4
148.04424	1.5
149.04544	1.4
152.04718	1.1
153.05528	1.7
161.04555	7.7
175.21356	1.1
179.05562	10.8
180.06599	1.9
195.06584	1.7
253.12575	1.2
296.10782	8.9
297.11844	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	297.0399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70774	0.2
59.01133	0.3
59.01376	3.3
65.00324	0.6
68.99801	1.3
71.01390	0.4
73.02925	0.3
101.02474	0.4
101.03949	0.3
105.97106	0.3
117.03454	0.9
130.04198	0.8
132.02116	1.2
133.02930	1.4
137.02435	0.4
141.03453	1.0
143.03354	0.3
145.02939	0.8
147.54955	0.2
148.01614	0.4
154.04243	2.5
156.02180	1.3
157.02959	3.4
161.02357	0.4
163.03990	0.3
169.02887	1.8
170.03658	1.0
172.01648	0.3
173.02460	0.3
181.02936	16.8
182.03690	10.4
183.04082	0.8
185.02408	3.1
186.02827	0.5
197.02412	0.4
198.03207	9.9
199.03564	0.4
201.01889	0.7
209.02400	0.8
210.03154	1.0
213.01863	0.4
214.02657	0.6
225.01901	4.7
226.02696	10.5
227.03041	0.6
230.02188	0.9
237.01854	2.0
237.09782	0.4
238.02098	0.3
253.01398	52.7
254.01884	5.1
265.01419	0.4
269.04556	0.5
281.00870	6.3
282.01666	100.0
283.02026	8.1
297.04010	77.5
297.11026	0.6
297.21033	0.4
297.24362	1.1
298.04355	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	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50628	1.1
56.00910	0.9
59.01370	4.4
71.39037	1.5
81.56465	1.0
111.08154	2.0
113.09751	2.6
126.61528	1.0
127.11294	1.2
157.08684	64.3
158.09044	2.1
158.38484	1.0
195.13924	2.3
211.40144	1.2
246.12875	1.1
277.19269	1.0
277.21692	60.0
278.21964	5.9
295.22754	100.0
296.23019	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	295.264
Annotation	Phytomonic Acid
Peak:m/z	Relative Intensity
59.01366	0.7
61.98819	0.5
63.67702	0.5
68.99565	4.8
69.60353	1.9
69.60770	1.5
73.37507	0.5
86.03977	0.5
98.95572	1.7
98.96397	0.6
107.86234	0.5
112.98554	5.9
115.54778	0.5
129.19360	0.5
143.88066	0.5
193.98622	0.5
295.17590	2.0
295.26376	100.0
296.26718	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	295.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.7
60.10325	0.4
68.99567	4.5
70.19825	1.5
70.70557	0.4
81.12988	0.4
98.95589	1.1
112.98563	6.8
226.08488	0.5
284.18848	0.4
295.26385	100.0
296.26736	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	296.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	1.1
61.25309	0.5
70.39165	0.9
70.39552	1.6
72.99304	1.4
74.02463	0.5
74.45439	0.4
75.00868	8.9
79.95700	0.8
82.02966	2.5
82.10608	0.4
84.04541	11.7
86.37611	0.4
96.95992	1.9
98.19956	0.6
100.04047	1.7
102.98573	1.4
116.01807	0.5
119.01367	1.0
120.01244	0.9
122.03694	0.6
123.04539	0.8
123.99866	5.8
124.00687	0.8
128.03522	1.0
131.03448	0.7
132.02219	0.5
134.03732	4.9
135.03003	0.6
135.04492	0.7
145.99191	2.3
148.05290	2.3
149.02441	3.3
149.06076	4.4
151.99362	61.1
152.99713	1.1
158.68591	0.5
160.01637	1.6
160.05257	1.0
165.00130	12.1
166.00882	1.9
167.01701	100.0
168.02040	4.4
175.03975	3.5
177.73691	0.5
181.03261	4.7
195.61134	0.5
202.05103	1.0
203.05836	11.3
204.06197	0.7
208.99098	11.3
218.08183	31.3
219.08540	2.1
221.11789	0.8
236.09219	0.6
250.10953	1.4
252.06966	25.4
253.07286	1.8
264.08676	0.6
281.07397	0.5
281.53442	0.4
296.06036	7.8
296.09213	1.6
296.11407	2.9
297.06555	0.6
297.10379	0.7
297.13428	4.1
303.19067	0.5
315.28656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09942	0.5
59.01373	1.1
59.32645	0.4
69.92963	1.8
69.93372	1.2
72.47331	0.5
83.05009	4.4
85.06585	3.2
99.08162	3.1
111.00468	0.5
111.04493	3.1
129.05569	24.5
130.05913	0.6
164.84213	0.5
166.33696	0.5
171.10237	6.1
172.10606	0.5
195.10718	0.5
204.53468	0.5
277.18674	0.5
277.21667	15.1
277.24719	0.8
278.22101	0.6
280.81125	0.5
292.10352	0.5
293.21243	1.2
295.22748	100.0
296.23062	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01354	0.5
70.52573	1.5
78.56167	0.5
111.08147	0.5
111.77600	0.4
112.62106	0.4
113.09683	1.2
127.11286	1.3
127.41840	0.5
141.24142	0.4
154.17532	0.5
165.12840	1.9
211.81299	0.5
233.63402	0.4
251.23738	1.0
295.22748	100.0
296.23065	10.6
296.26208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48923	0.6
54.21563	0.5
55.04040	0.5
57.03441	0.7
59.01361	2.1
70.39139	1.3
112.36027	0.6
113.09715	2.5
136.71011	0.6
137.46236	0.6
137.90768	0.6
148.92432	0.6
152.56047	0.6
154.48294	0.6
179.14346	1.3
183.13945	3.4
184.14261	0.6
195.13892	21.8
196.14227	1.3
260.10825	0.7
277.21677	17.9
278.22101	1.7
293.21271	0.7
295.22766	100.0
296.23050	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	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
59.01365	1.2
70.02537	0.6
71.39382	1.4
90.69890	0.6
114.52518	0.7
137.53413	0.9
141.12817	0.9
143.23727	0.9
155.14362	1.4
171.10258	38.8
172.10631	1.3
183.10257	1.7
195.13858	2.2
210.09125	0.7
219.03267	0.6
251.23886	1.1
277.21686	46.3
278.21967	4.2
292.95367	0.7
295.22757	100.0
296.23074	12.6
319.20944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58183	0.3
53.86682	0.3
59.01371	1.6
71.24404	0.4
78.70853	0.4
101.56931	0.4
186.58339	0.4
216.49989	0.3
249.22340	0.4
265.21835	2.0
277.21695	3.5
293.21194	0.6
295.22748	100.0
296.23099	10.5
296.25702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58183	0.3
53.86682	0.3
59.01371	1.6
71.24404	0.4
78.70853	0.4
101.56931	0.4
186.58339	0.4
216.49989	0.3
249.22340	0.4
265.21835	2.0
277.21695	3.5
293.21194	0.6
295.22748	100.0
296.23099	10.5
296.25702	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20585	0.5
53.38425	0.5
57.03437	1.2
59.01366	2.1
69.58232	3.4
69.58636	0.9
78.54902	0.5
98.19865	1.0
101.05970	0.5
113.09749	3.5
177.12888	0.8
179.14355	1.4
181.44322	0.6
195.13882	19.3
196.14212	1.0
251.23813	1.0
277.21713	19.5
278.22003	1.0
281.76721	0.7
295.22757	100.0
296.23138	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
65.43870	0.5
70.19450	1.7
80.47437	0.5
87.28426	0.5
99.08173	0.7
101.54049	0.5
122.46317	0.5
125.09692	0.8
139.56961	0.6
141.12859	1.1
171.10252	31.8
172.10585	1.7
183.10266	1.1
195.13843	1.1
217.57906	0.5
243.36288	0.5
273.51166	0.5
277.21689	43.4
278.22040	3.9
287.85141	0.6
295.22754	100.0
296.23068	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
57.03437	5.3
57.80065	1.1
59.01374	61.9
69.03477	5.0
70.11785	5.1
71.01377	38.9
72.99297	5.5
73.02940	50.4
75.00898	2.6
78.95911	4.0
81.01233	1.2
83.01397	3.1
85.02938	24.2
86.53159	1.2
87.00883	8.8
87.04499	2.3
88.04021	1.3
88.98843	2.7
89.02436	39.7
95.01382	2.9
95.04998	1.1
96.96026	2.6
96.96996	1.3
97.02950	5.8
99.00861	6.3
101.02438	16.1
103.04003	100.0
104.04391	2.5
104.92904	1.4
111.00880	2.0
112.98804	2.2
113.02446	11.4
113.03190	1.1
113.03600	1.9
115.00368	6.7
115.04010	8.9
116.06345	2.2
116.07163	43.4
116.40192	1.1
117.01965	3.4
119.03504	10.6
119.05019	1.6
120.99689	1.1
122.20084	1.4
126.04358	1.5
129.01938	13.1
131.03500	1.7
133.05058	22.1
136.99229	1.4
141.01974	3.2
142.99852	2.8
143.03549	1.7
143.61076	1.1
146.41103	1.1
159.03032	3.0
161.04584	4.9
178.95009	1.2
179.05641	4.9
180.06714	4.6
189.05940	2.3
191.05600	15.5
193.77429	1.2
199.04514	2.1
207.07007	3.4
216.06619	1.3
222.22603	1.2
226.74677	1.2
260.05667	1.7
277.08502	1.6
294.27100	1.2
295.10440	74.1
295.22943	1.3
296.10684	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01369	1.0
61.98820	0.8
69.03448	0.5
69.39777	0.3
71.01369	0.8
83.05009	0.4
87.21719	0.3
96.96004	1.7
97.06583	1.2
111.08147	0.6
113.09743	0.8
121.10242	0.7
123.08150	0.7
124.65916	0.4
125.09704	3.5
141.12836	1.3
146.31659	0.3
149.09674	1.6
152.91675	0.4
171.10226	1.3
177.09172	0.5
185.10178	0.6
185.11815	9.3
185.28357	0.3
186.12099	0.5
192.11543	1.2
193.15939	0.4
197.11856	2.0
205.12444	0.6
220.14679	4.2
221.15453	7.0
222.15877	0.5
236.10555	5.3
237.10835	0.5
249.22180	0.8
252.21893	0.4
275.20108	1.9
293.21194	100.0
294.21518	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	293.2485
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01359	0.9
61.00584	0.5
61.98820	2.4
65.33198	0.4
65.98958	0.4
68.09217	0.4
68.99568	0.7
70.47562	1.0
71.01370	1.5
79.59081	0.4
85.05445	0.5
86.52953	0.4
89.42496	0.4
90.39901	0.4
92.75043	0.4
92.92801	0.7
96.95998	12.6
112.98584	0.9
119.94718	0.9
136.08931	0.6
139.30186	0.4
149.17455	0.4
177.09164	0.5
181.27354	0.5
191.60172	0.5
192.11516	1.5
193.15965	0.9
220.14650	7.6
221.15421	14.1
222.15782	1.0
236.10497	9.9
237.10948	0.8
244.17911	0.6
275.23761	0.4
293.18002	13.1
293.24820	100.0
294.18021	1.4
294.25143	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	294.0771
Annotation	Velutinam
Peak:m/z	Relative Intensity
50.49778	0.6
59.01377	7.6
61.98817	2.4
71.57428	1.2
78.95913	0.9
96.95988	1.0
109.02956	1.3
116.05071	0.9
118.03017	0.8
124.28358	0.7
126.38193	0.6
131.03749	1.2
132.02142	4.1
133.02948	50.8
134.03268	1.8
147.03252	85.1
148.03590	4.1
157.02925	2.3
158.03357	3.2
175.02733	6.6
176.98305	0.8
222.06772	1.5
223.07591	6.1
250.08754	6.3
266.08185	19.7
267.08542	2.1
294.01169	3.0
294.07693	100.0
295.02475	1.4
295.07944	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	295.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98998	0.7
55.01868	1.5
57.03448	6.0
58.00558	1.2
59.01096	1.1
59.01376	17.7
67.01872	0.9
68.99809	1.9
69.03444	3.8
69.39910	0.7
71.01379	13.3
71.26097	1.8
72.99306	4.3
73.02942	48.3
73.37122	0.9
74.03265	0.9
77.68655	0.7
83.01379	2.9
85.02944	16.4
87.00874	3.3
87.04507	3.2
89.02440	7.2
95.01374	0.8
97.02953	7.3
99.00880	5.5
101.02461	5.2
103.04003	100.0
104.04343	1.8
111.00863	2.6
113.02442	3.7
113.03545	0.9
113.06065	1.0
115.04008	5.4
116.07093	0.8
119.03475	3.2
120.28135	0.8
129.01930	14.0
133.05122	0.9
141.01915	3.0
143.64293	0.9
159.02962	2.2
173.04607	1.0
180.06596	2.3
191.05592	17.8
201.81618	0.7
209.06589	0.9
248.00620	0.8
277.08231	1.6
295.10312	53.2
296.10635	2.9
303.83264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25996	1.3
52.65139	1.2
56.26205	1.1
57.03438	5.0
58.00586	2.7
59.01375	66.9
66.55164	1.1
69.03458	1.6
71.01379	41.7
71.05023	1.3
71.25549	1.2
71.25878	2.3
72.99294	4.6
73.02940	27.8
75.00855	1.9
78.95883	2.3
83.01370	3.2
85.02947	16.8
87.00880	5.2
87.04478	3.0
88.04083	1.3
89.02438	41.5
95.01392	3.2
97.02959	4.3
99.00897	3.2
101.02429	16.7
103.04002	66.5
104.04355	1.4
111.00885	1.6
113.02448	13.4
115.00361	15.9
115.04002	14.1
116.07171	15.5
117.92246	1.3
119.03492	11.4
119.05074	1.5
120.99635	1.5
129.01941	9.0
131.03487	1.8
133.05051	5.0
141.01950	1.7
141.05724	1.2
143.03526	1.6
145.13750	1.2
149.04579	1.9
159.03017	1.7
161.04535	2.5
179.05656	1.8
179.63490	1.1
180.06651	2.6
191.05606	9.1
207.06989	2.5
236.92270	1.3
274.16440	1.4
277.08649	1.3
292.78723	1.4
295.10367	100.0
296.10727	6.6
297.72989	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
56.09111	0.3
56.70027	0.3
57.03448	1.3
58.00583	2.5
59.01374	64.8
60.01724	0.5
67.51450	0.3
69.03451	0.7
71.01377	32.2
71.02497	1.4
71.05016	0.7
71.55359	1.0
72.99311	3.6
73.02944	3.1
75.00847	1.8
78.04559	0.3
78.80226	0.4
78.95903	1.5
82.16608	0.3
83.01371	2.1
85.02944	8.7
87.00871	1.8
87.04524	0.6
88.04058	1.5
88.98827	0.7
89.02438	33.3
90.02776	0.7
95.01391	2.1
96.96024	0.6
96.96964	3.4
97.02944	2.8
99.00892	1.2
99.65283	0.3
101.02435	20.8
102.02755	0.4
103.00359	0.4
103.04005	1.9
104.92815	1.0
107.04344	0.4
107.05047	1.4
112.98812	0.5
113.02446	10.9
114.02804	0.4
115.00365	3.1
115.04000	12.8
116.07180	1.2
119.03493	12.0
119.04877	0.4
123.35748	0.4
124.00768	0.4
128.03558	0.6
129.01958	0.5
129.13383	0.3
131.03482	1.6
133.05067	4.8
142.99890	0.6
143.03477	1.0
145.06139	0.4
146.93427	0.7
149.04527	0.6
161.04501	2.6
162.05670	0.6
163.06171	0.6
179.05597	1.3
179.08212	2.0
180.06705	1.7
180.08466	0.3
180.10234	0.7
221.06703	0.7
235.08195	1.4
251.10214	0.9
252.08510	0.5
260.05695	0.5
295.10303	100.0
296.10660	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73614	1.0
57.03446	1.0
59.01377	5.5
59.49599	0.8
61.07399	0.8
61.98817	0.8
64.24693	0.8
66.55155	0.8
68.24722	0.8
71.01375	2.8
71.62044	1.0
75.44160	0.8
88.21296	0.7
96.95997	1.6
101.36414	0.8
105.93238	0.9
119.22828	0.8
123.08161	1.0
127.07681	0.9
136.08899	1.4
151.11264	2.3
152.91750	2.1
169.12276	2.0
177.09131	1.0
192.11540	2.7
193.15977	2.6
197.11821	29.6
198.12141	1.1
205.12297	1.0
220.14687	9.7
221.15442	19.3
231.21074	1.3
232.87521	1.0
236.10522	13.0
237.11072	0.9
249.18620	1.2
250.21745	1.8
275.20105	21.7
276.20450	2.5
293.17755	5.9
293.21176	100.0
294.21542	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	293.212
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.74589	1.1
55.03030	1.3
59.01379	2.8
71.07037	1.6
71.07373	1.4
88.07642	1.1
120.47335	1.2
121.10229	37.9
125.09698	1.3
125.69985	1.0
171.10255	69.8
172.10571	2.2
185.11819	3.2
231.21112	4.4
275.20123	100.0
276.20462	10.1
293.21207	58.3
294.21664	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	293.212
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
67.23585	0.9
69.03410	0.9
71.07143	2.6
72.44317	0.9
72.63028	1.1
78.60110	0.8
85.70503	1.1
99.04510	0.8
179.14362	1.1
195.13884	11.7
196.14354	1.2
205.12206	1.1
223.13397	11.4
224.13794	1.0
246.30188	0.9
256.13156	3.9
275.20123	8.0
293.21216	100.0
294.21613	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.1
59.01374	3.1
61.23805	0.5
66.89959	0.5
70.66595	1.8
84.28828	0.5
88.96958	0.5
93.63506	0.6
93.77569	0.5
97.06561	1.2
98.20566	0.7
113.09715	18.0
121.10223	6.4
125.09736	1.1
135.11734	0.7
139.11250	2.0
149.09645	0.6
167.10762	1.9
171.10277	11.5
177.12888	0.9
177.16280	0.6
179.10783	1.9
183.10362	0.8
185.11829	0.9
195.13838	2.0
226.33890	0.6
231.21098	1.5
249.22227	2.5
275.20117	15.3
276.20471	1.4
285.16675	0.6
293.21201	100.0
294.21524	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83850	0.4
57.03437	0.9
60.99431	0.4
68.85948	0.4
70.66602	1.3
73.59432	0.4
97.06575	1.0
123.08157	0.6
125.09720	5.3
139.80322	0.4
141.12823	1.7
145.48943	0.4
149.09694	1.4
167.14304	0.6
185.11815	9.1
186.12111	0.5
197.11778	2.2
249.22295	1.0
293.21194	100.0
294.21542	10.0
294.24268	0.3
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
57.03434	3.2
57.06606	0.9
59.01367	3.7
69.03432	1.0
69.65727	5.0
71.05029	4.8
71.05342	0.9
73.49089	0.8
83.72764	1.0
87.96282	0.8
98.20596	2.0
113.09709	2.6
117.41217	0.9
122.39265	1.0
177.16481	1.3
195.13826	1.1
209.15434	2.2
220.14908	0.9
221.15477	1.8
223.16882	4.6
231.21185	1.9
235.16997	38.8
236.17424	3.3
249.22263	1.3
273.40607	1.0
275.20139	34.1
275.23166	1.8
276.20587	2.7
293.08990	3.2
293.21201	100.0
294.21423	8.6
314.90320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.3
59.01375	5.0
61.98821	0.8
69.03450	0.3
69.72330	0.8
69.72743	0.5
71.01381	0.8
77.24384	0.2
85.06584	0.6
90.01523	0.3
94.62663	0.2
96.95985	0.6
97.06570	0.9
98.20630	0.2
109.06586	0.8
113.09718	19.7
114.10041	0.8
115.83365	0.2
125.09642	0.3
135.11757	0.7
139.11282	2.1
149.09688	1.1
152.91769	1.3
163.11374	0.2
167.10776	2.7
171.10332	0.4
177.09158	0.5
177.12796	0.8
179.10748	2.2
192.11496	0.7
194.92793	0.4
195.13867	3.3
205.12321	0.4
220.14632	4.1
221.15425	8.4
221.18768	0.4
222.15689	0.5
232.87570	0.7
233.10211	0.5
236.10507	5.5
237.10905	0.5
249.22226	2.4
250.88470	0.6
275.20169	1.1
293.21185	100.0
294.18176	0.6
294.21500	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
57.03448	3.7
59.01374	1.3
62.65635	0.4
62.82739	0.5
66.65320	0.4
67.01890	0.7
68.99813	1.6
69.03452	4.9
71.01376	5.3
71.06503	0.5
71.39393	0.8
72.99303	4.3
73.02945	0.5
74.47923	0.5
83.01374	2.6
83.36333	0.5
84.02153	1.7
85.02943	15.4
87.00873	4.6
87.04511	2.2
91.86523	0.5
97.02945	9.0
99.00869	4.5
101.06075	100.0
102.06409	2.7
103.36444	0.4
109.65292	0.4
111.00228	0.4
111.00872	2.7
113.02437	1.7
115.03986	3.6
115.07629	1.8
129.01935	10.5
129.05580	0.9
141.01955	3.7
141.09207	1.8
159.02998	2.2
169.08711	3.6
173.04536	0.7
189.83197	0.6
191.05606	9.9
243.08665	1.7
265.09451	0.4
293.12387	37.2
294.12790	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	293.1757
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.01362	0.3
60.36579	0.2
61.72872	0.2
70.94299	0.5
70.94640	0.2
71.01377	7.6
79.65041	0.2
87.23188	0.2
103.30566	0.2
105.07013	0.2
127.07655	0.5
148.05223	1.1
149.06087	0.3
151.07599	0.7
152.91708	0.4
164.08368	1.2
177.09172	4.4
192.11537	6.5
193.11916	0.2
200.07896	0.2
205.12320	6.6
206.12636	0.4
207.13885	1.3
207.81693	0.2
217.08693	0.5
218.09430	1.5
220.14659	46.4
221.15425	100.0
222.15793	8.0
232.87480	0.2
235.13338	1.2
236.10503	67.9
237.10875	5.2
293.17578	10.8
293.20889	0.6
294.17865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03456	0.7
58.00587	1.4
59.01375	35.5
69.93984	1.0
69.94395	2.0
71.00982	1.1
71.01374	16.8
72.99310	1.3
73.02935	1.5
82.31021	0.6
83.01381	1.6
85.02953	3.5
85.06580	12.3
87.00858	0.8
89.02431	19.6
95.01377	1.3
96.95983	1.1
99.00900	0.6
101.02428	12.1
112.77670	0.5
113.02434	6.5
113.06068	5.1
115.07642	1.6
119.03480	7.2
127.07637	2.4
127.79527	0.5
130.08673	1.4
131.07127	55.6
132.07466	1.4
151.69743	0.5
160.42400	0.7
173.08154	1.4
179.05612	0.9
293.12372	100.0
294.12708	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	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02960	0.9
59.01378	3.8
71.01394	0.9
71.57456	0.7
84.34518	0.4
96.96021	0.9
97.69449	0.5
101.00756	0.4
104.60468	0.4
116.50439	0.4
122.20261	0.4
129.59850	0.4
149.10170	0.4
152.91763	2.3
156.13925	100.0
157.14287	4.4
171.10313	0.5
185.58937	0.4
200.12909	5.2
207.23868	0.4
220.14687	5.0
221.15436	9.5
232.87369	0.8
233.10295	1.0
236.10501	7.3
250.88420	1.0
292.19778	2.5
293.14478	0.6
293.17603	2.2
293.21161	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	292.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
58.02982	0.7
59.01366	3.1
68.02500	0.4
70.14000	2.0
71.01362	0.7
71.96452	0.4
78.95917	0.4
86.48892	0.5
88.57062	0.4
89.79890	0.5
96.43513	0.5
96.95997	0.6
113.09723	1.1
121.02930	0.5
125.09705	2.2
152.91782	2.0
152.93515	0.5
156.13919	100.0
157.14272	4.8
158.98169	0.4
175.20218	0.5
185.11847	3.9
187.03897	0.4
192.11510	0.5
194.92781	1.6
197.11752	0.8
200.12881	4.8
205.12321	0.7
220.14655	4.7
221.15442	8.0
232.87486	1.7
236.10521	5.9
250.88492	0.8
292.19885	4.9
293.18036	2.0
293.21188	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1143
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
50.54169	0.8
58.40288	0.8
59.01374	31.3
67.03039	0.8
71.01379	13.4
71.15226	0.9
71.15589	1.8
72.00935	1.9
72.99306	1.0
73.02965	1.0
73.04069	1.5
74.99087	1.0
82.42741	1.0
84.04575	2.6
85.02965	3.2
85.06634	1.4
87.00858	1.2
89.02444	12.7
89.02914	1.0
91.05546	3.6
94.03023	1.1
95.05138	0.9
96.04568	1.6
96.96039	1.0
101.02438	8.4
101.07230	5.4
105.40204	0.8
109.04101	3.7
110.06114	38.2
111.06448	1.3
112.04047	13.1
113.02452	4.6
113.06091	2.4
113.35001	0.9
119.03489	3.5
120.04565	1.1
120.99648	4.8
122.06122	1.9
123.03262	16.8
124.04050	14.1
127.05129	21.3
127.06040	1.1
128.03568	3.0
128.05545	1.0
129.10382	3.5
131.07133	4.8
134.06227	1.0
136.07675	15.4
137.06099	1.6
138.05605	100.0
139.05971	3.3
140.07193	5.3
145.06204	1.0
147.04482	10.0
161.04631	1.0
164.07152	26.8
164.08536	1.7
165.07521	1.0
166.05215	1.1
180.06709	1.1
182.04552	4.2
183.05437	1.2
184.06140	20.9
185.06493	0.9
188.10767	2.4
207.05379	1.1
214.08806	0.9
216.08897	0.9
231.11406	12.4
232.09853	1.2
232.12042	0.9
249.12544	1.6
251.11340	1.0
275.10382	19.3
275.13245	1.3
276.10895	2.5
293.12222	49.7
293.15314	3.5
293.21396	1.7
294.12814	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	291.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69366	0.8
57.03444	3.0
58.00587	7.1
59.01377	5.3
60.29633	0.9
61.98802	1.4
69.03450	1.8
70.76572	1.8
70.76923	1.3
71.01376	3.5
71.05030	1.9
73.02943	37.9
77.88261	1.2
83.05023	2.4
84.02166	7.3
85.02954	2.9
85.06609	1.6
87.04510	1.6
95.05010	3.4
97.02929	1.5
97.06593	4.6
98.95917	0.9
99.08157	1.1
107.05007	1.0
109.06590	1.4
111.08146	3.9
113.06025	0.9
113.09748	1.1
119.05030	0.9
121.02968	4.4
121.06604	1.4
121.10223	1.6
123.08126	3.1
125.06075	6.0
125.09723	2.1
127.07633	1.5
127.11255	1.5
137.09734	1.4
139.07643	5.2
139.11292	2.1
141.12851	2.5
147.08229	1.1
149.09660	1.1
153.12860	1.8
155.14464	2.2
165.12798	1.6
167.14342	1.8
179.14493	0.9
185.11858	1.4
193.15935	1.9
205.00471	1.0
205.19583	1.9
206.40109	1.0
209.04584	2.6
219.17574	1.2
238.84317	0.9
247.20618	3.8
255.21201	4.6
261.22238	5.8
263.23792	10.2
273.19098	1.1
273.22208	24.5
274.22568	1.9
283.17877	0.9
289.21759	1.5
291.09109	1.3
291.16397	2.2
291.19659	55.4
291.23273	100.0
292.20007	4.3
292.23663	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	292.0858
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
51.03707	0.2
51.85440	0.2
52.59744	0.2
58.69493	0.2
59.01371	0.7
66.00972	0.3
68.02532	100.0
68.99577	0.2
69.02241	0.5
69.02876	0.8
71.01376	0.2
82.15041	0.2
96.95984	0.3
106.79852	0.2
111.00080	0.2
116.06418	0.2
126.99564	2.4
133.17322	0.2
141.98306	0.4
152.08260	1.5
152.91794	0.6
156.13988	0.2
171.88960	0.2
172.00833	0.2
194.92834	0.2
220.14673	1.0
221.15433	2.2
229.62616	0.2
232.87431	0.3
234.00775	0.4
236.10500	1.5
250.88568	0.2
292.08685	0.7
292.19894	1.1
293.18054	0.4
293.21237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2328
Annotation	17beta-Hydroxysteroid
Peak:m/z	Relative Intensity
57.03432	3.5
58.00587	8.4
59.01375	5.6
61.98802	1.3
64.12093	1.0
69.03437	2.0
69.65534	6.0
71.01371	3.2
71.04997	1.3
73.02942	36.3
74.03283	1.2
81.03468	1.2
83.05014	4.1
84.02157	7.6
85.02942	2.8
85.06585	1.2
87.04509	1.2
95.05003	1.7
96.96017	1.2
97.06570	5.1
107.05033	1.6
109.06554	1.6
111.08131	5.5
113.06057	2.1
120.51332	1.0
121.02964	4.4
123.08170	1.4
125.06062	5.9
125.09730	1.9
127.07613	1.6
127.11273	1.6
137.09723	1.1
139.07626	6.4
139.11266	2.1
141.12791	1.7
153.09071	1.3
153.12791	1.2
155.14372	2.1
165.12914	1.8
167.10768	1.3
167.14340	1.8
169.15988	1.0
185.11821	1.1
191.14268	1.2
193.15999	2.5
205.19507	1.8
209.04510	2.4
247.20554	3.6
255.21190	4.4
261.22208	5.8
263.23788	10.8
273.22223	24.9
274.22507	1.8
291.08829	1.5
291.19623	55.7
291.23221	100.0
292.19904	6.2
292.23572	9.5
301.10266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79038	0.5
59.01367	2.9
60.31871	0.5
70.90020	1.4
71.05019	27.1
72.87511	0.5
86.84447	0.6
89.97426	0.5
94.56239	0.6
97.06594	8.6
117.32568	0.6
121.02933	0.8
121.10244	0.7
133.06543	0.8
144.92699	0.6
145.87019	0.6
163.15018	0.8
181.12326	2.2
207.13870	1.7
209.04538	0.8
217.16045	0.7
219.13879	4.2
232.92177	0.7
235.17009	4.0
247.20642	1.9
273.18546	1.4
291.19641	100.0
292.20001	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.7
59.01372	2.1
63.98510	0.5
73.62231	0.5
74.80646	0.5
93.07088	0.5
95.05055	0.6
97.06582	0.9
111.08152	7.1
113.09772	0.7
121.02962	1.9
121.10229	5.7
123.08125	0.7
125.09721	3.6
125.80285	0.5
147.08180	0.6
165.12761	0.8
167.10699	0.5
177.12823	1.4
179.10768	0.8
185.11795	6.9
186.12056	0.5
195.13882	5.3
197.11833	1.9
197.13860	0.4
209.04530	0.7
211.13361	1.1
247.20685	1.8
273.18616	1.7
291.19638	100.0
292.19971	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	291.2329
Annotation	Grevillol
Peak:m/z	Relative Intensity
58.73503	0.9
61.49592	0.9
61.98819	2.8
71.62835	1.1
75.41194	0.8
112.98534	1.3
121.02946	1.8
127.83587	1.0
157.06657	1.0
171.69865	1.1
291.04193	1.0
291.09085	24.2
291.23270	100.0
292.09082	3.0
292.23544	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	289.1114
Annotation	Rotoxamine
Peak:m/z	Relative Intensity
51.59360	0.2
53.70215	0.2
55.51516	0.2
59.01367	0.3
69.49164	0.4
69.49570	1.3
79.95274	0.5
79.95731	7.2
79.96183	0.5
96.96002	100.0
97.95971	0.4
100.18990	0.2
122.97536	0.4
140.65913	0.2
168.14211	0.2
195.18904	0.2
225.11299	0.2
254.26801	0.2
289.11121	68.0
290.11417	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	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03445	1.3
58.22102	0.4
59.01374	100.0
60.01723	1.1
67.01936	0.5
69.03459	1.4
69.68645	1.4
69.69047	1.1
71.01380	6.5
72.99310	1.2
73.02931	2.4
78.95898	0.7
79.95718	0.7
83.01383	1.5
83.05027	0.5
83.46822	0.4
85.02950	6.9
87.00892	1.4
95.01394	0.6
96.96015	1.5
97.02966	1.8
98.19891	0.9
99.00885	1.3
99.02027	0.5
101.02438	5.9
111.00888	0.5
113.02442	2.2
115.04039	0.5
129.01965	1.9
130.08763	0.5
141.01942	0.9
148.18660	0.5
155.10803	1.9
161.04515	2.3
178.48082	0.4
191.05577	0.8
195.07645	2.0
196.08531	0.8
199.09813	1.6
209.06781	0.9
249.13416	9.8
249.15843	0.7
250.13861	0.6
291.05893	0.6
291.10913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03445	1.3
58.22102	0.4
59.01374	100.0
60.01723	1.1
67.01936	0.5
69.03459	1.4
69.68645	1.4
69.69047	1.1
71.01380	6.5
72.99310	1.2
73.02931	2.4
78.95898	0.7
79.95718	0.7
83.01383	1.5
83.05027	0.5
83.46822	0.4
85.02950	6.9
87.00892	1.4
95.01394	0.6
96.96015	1.5
97.02966	1.8
98.19891	0.9
99.00885	1.3
99.02027	0.5
101.02438	5.9
111.00888	0.5
113.02442	2.2
115.04039	0.5
129.01965	1.9
130.08763	0.5
141.01942	0.9
148.18660	0.5
155.10803	1.9
161.04515	2.3
178.48082	0.4
191.05577	0.8
195.07645	2.0
196.08531	0.8
199.09813	1.6
209.06781	0.9
249.13416	9.8
249.15843	0.7
250.13861	0.6
291.05893	0.6
291.10913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58086	0.3
57.03449	1.5
59.01358	0.4
64.21988	0.3
69.82256	0.3
89.35735	0.3
93.07076	1.4
97.06599	1.8
101.68628	0.4
111.08206	0.3
121.10226	14.2
122.10538	0.5
123.08168	1.0
125.09700	6.8
128.57440	0.4
139.11375	0.3
141.12863	1.1
147.08093	0.7
163.11243	0.4
185.11813	14.7
186.12079	0.6
197.11823	2.7
206.40868	0.3
209.11803	1.0
211.13393	1.7
214.12726	0.4
223.13341	0.9
247.13429	0.6
247.20654	0.9
273.18542	1.1
291.19626	100.0
292.19968	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	291.1964
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01371	0.7
61.98819	0.7
69.61317	1.0
69.61732	1.7
73.02941	55.5
74.03300	0.5
79.95712	0.4
81.40559	0.4
83.92368	0.4
98.80828	0.4
118.79634	0.4
121.02957	1.2
125.76015	0.4
160.12695	0.4
209.04521	0.8
291.19632	100.0
292.19989	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	288.1602
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01367	1.8
61.98811	1.3
71.62028	0.3
81.03445	1.5
92.05063	1.1
93.03442	2.1
106.02990	0.3
107.03783	0.6
108.02193	0.6
108.04549	6.1
109.02945	5.3
121.02931	0.5
124.01682	0.4
126.19216	0.4
134.02467	33.2
135.03285	9.1
136.04031	40.0
137.02435	1.5
137.04384	1.5
148.04056	0.8
149.04797	1.1
159.70355	0.4
176.03545	4.0
177.04135	0.6
190.04955	0.6
197.90225	0.5
204.06654	0.6
288.16019	100.0
289.16275	8.6
306.88016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29248	0.6
57.03447	0.9
57.59257	0.6
59.01363	1.7
68.89956	0.6
71.01378	5.4
71.60969	0.7
78.11901	0.7
78.95897	30.0
79.95729	2.1
83.00444	0.6
83.01362	0.9
87.00880	1.3
87.92538	0.7
88.04055	1.3
88.98814	1.1
96.85305	0.7
96.96011	100.0
96.96960	77.0
98.02415	0.7
99.00894	1.8
103.92018	2.4
104.92815	1.5
112.98827	1.6
115.00368	1.5
116.07204	1.4
120.99649	2.2
124.98788	1.2
131.08217	1.5
132.03067	0.7
140.98312	0.7
142.99858	18.9
145.91321	0.6
163.91837	0.7
165.07504	2.1
173.00893	17.6
187.10896	1.0
191.05594	1.2
198.90550	1.0
202.98695	0.8
215.11752	0.7
229.08275	0.7
245.03134	1.4
270.98596	2.0
289.02811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0692
Annotation	Unknow
Peak:m/z	Relative Intensity
64.11102	12.3
69.55801	100.0
74.10474	12.3
78.95889	54.9
108.90200	28.3
110.98482	21.4
123.07787	14.8
125.99574	24.7
126.98830	21.9
127.00350	22.3
128.03540	15.4
131.08263	19.2
202.91637	16.6
289.06982	70.9
303.69305	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	289.0828
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
56.82738	3.0
58.02972	19.3
66.09774	3.3
70.02957	12.5
71.19220	7.1
71.19564	3.1
72.00888	3.6
74.02464	69.4
87.28127	3.4
92.16533	3.2
94.73005	3.7
98.02463	20.2
98.20023	3.6
116.03533	20.0
116.05048	27.2
142.06628	7.3
159.09258	4.7
180.69601	3.9
201.10313	5.9
203.08221	72.8
245.09291	100.0
246.09633	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2226
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01369	0.3
70.19617	0.6
77.79031	0.2
77.89998	0.2
89.56864	0.2
92.55355	0.1
98.20560	0.2
111.08149	0.4
113.09715	1.9
123.08169	0.3
125.09698	0.4
127.11266	2.0
127.80803	0.2
141.09204	0.2
141.12834	0.4
143.10764	0.7
157.12274	0.5
211.20804	0.3
223.20605	0.4
239.20096	0.9
241.21750	2.0
245.94485	0.2
267.19443	0.2
269.21198	2.2
285.20587	1.4
285.23367	0.2
287.01904	0.7
287.22241	100.0
288.22583	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	287.2226
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
59.01372	2.9
61.98818	0.9
63.63739	0.5
71.61879	0.6
77.83632	0.5
96.96043	0.6
107.33713	0.5
108.34153	0.5
113.09731	4.9
125.09726	1.1
127.11294	3.2
143.10768	2.9
143.83656	0.5
155.10794	1.1
157.12291	0.7
171.10234	2.1
197.90259	0.8
201.11276	1.1
211.20645	0.6
239.20035	0.6
241.21706	1.5
251.20107	1.5
255.76527	0.6
257.03940	0.5
267.19632	0.6
269.21210	9.2
270.21692	0.7
273.17117	0.5
285.20688	4.5
286.46906	0.5
287.01712	0.5
287.22253	100.0
288.22595	8.4
296.85690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
59.82206	0.6
61.64497	0.6
61.98795	0.7
69.67024	4.0
73.04072	4.0
74.02469	11.7
79.95263	1.1
79.95734	17.7
80.96514	12.6
82.03012	0.8
83.53854	0.7
88.04036	11.5
96.04587	0.8
96.96015	1.3
106.04249	2.6
114.05643	0.8
120.99642	1.0
136.07683	6.9
139.08760	1.3
141.10217	1.0
142.05144	0.9
142.06215	0.7
143.11888	5.6
152.07159	0.7
157.13411	1.1
164.07149	100.0
165.07472	4.0
168.02934	1.5
169.09822	3.5
199.10957	1.3
200.13995	4.1
213.12352	0.6
214.15749	0.8
216.03307	6.7
226.01831	1.8
244.02812	74.6
244.12981	13.1
245.03047	3.4
258.14627	2.3
288.01822	3.3
288.15640	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	287.067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84107	0.5
59.01370	1.1
68.99796	0.6
69.64197	3.2
96.95995	3.0
104.36024	0.5
110.02509	0.6
122.02446	0.9
132.04550	0.8
135.04582	0.6
143.06883	1.2
144.04471	0.6
145.04076	1.1
146.44318	0.6
154.00941	4.7
157.07681	1.7
167.01689	0.7
173.03494	5.3
181.07663	0.8
183.05594	12.7
184.01968	17.2
184.05858	0.8
185.04536	0.7
186.05322	1.6
189.01877	3.3
199.04308	17.3
205.07002	1.5
207.03021	3.1
215.04599	34.5
216.04953	1.7
225.06641	1.4
238.90251	0.6
243.07686	4.7
286.44614	0.5
287.06699	100.0
288.07056	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0923
Annotation	Asebogenin
Peak:m/z	Relative Intensity
59.01375	4.6
61.98819	2.3
65.67394	1.3
71.62350	2.1
81.34394	1.4
93.03456	3.1
119.05031	2.6
123.00882	19.7
124.01651	100.0
125.02045	1.5
137.02451	1.2
139.04002	98.7
140.04327	4.0
141.53842	1.4
147.04512	2.7
151.00293	3.0
152.01131	18.6
159.86356	1.6
166.02707	18.1
181.05043	3.0
189.66696	1.5
193.25174	1.5
193.92331	1.4
202.85643	1.6
260.35849	1.3
269.00897	1.6
272.06842	18.4
287.09265	29.2
287.22263	15.8
288.09769	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01377	1.1
59.23771	0.4
61.98829	2.4
70.02976	1.0
70.78494	0.4
71.32379	0.9
74.06107	1.8
88.10841	0.4
93.59325	0.4
110.00113	2.3
111.00403	1.0
118.05126	0.7
120.69873	0.4
137.99544	0.6
165.99084	2.9
166.99371	1.6
239.15143	0.4
240.23302	2.6
242.21227	1.6
268.22769	0.7
271.05676	3.8
272.05795	0.6
286.07977	6.8
286.23853	100.0
287.08243	0.5
287.24310	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	286.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02785	0.3
57.03416	0.4
59.01371	1.9
65.24409	0.3
71.62933	0.4
72.83634	0.3
78.95900	0.6
79.95703	0.9
80.02608	0.3
80.96494	0.4
85.02949	0.9
96.95982	1.4
108.02194	0.4
118.72838	0.3
133.02942	0.4
136.01645	1.5
138.14812	0.3
148.01668	2.6
151.34575	0.3
164.01178	0.8
178.79463	0.3
181.12415	0.5
183.10297	0.4
192.00627	99.6
193.00966	4.0
207.02968	100.0
208.03302	5.1
225.11366	0.7
240.86984	0.3
271.71277	0.4
286.98688	11.7
287.01968	0.7
287.06842	1.2
287.11887	0.5
287.15073	1.5
287.57660	0.4
287.98932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
59.01375	4.8
69.03442	0.4
71.01365	1.5
71.25443	0.3
71.60909	0.4
73.02949	1.6
74.02464	1.2
78.95902	0.8
79.15355	0.3
79.95741	1.4
80.96511	1.0
83.01385	0.8
85.02955	1.4
87.00885	0.4
88.04036	0.6
92.45025	0.3
96.96006	71.5
97.02955	0.5
101.02446	2.4
111.91409	0.4
113.02436	0.5
119.05005	1.1
120.99656	0.7
122.99251	1.2
125.02437	6.5
126.98821	0.4
130.08698	2.3
145.09840	0.6
155.11850	0.3
155.91777	0.4
156.91357	0.5
164.07149	1.3
192.26001	0.3
200.03824	0.4
227.06877	0.4
239.09274	1.2
241.00220	0.6
244.02776	0.9
258.14661	0.7
287.04391	100.0
288.04745	5.1
288.07727	1.1
288.12573	0.3
288.15726	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
54.07746	0.3
57.03452	0.4
59.01376	0.5
63.02391	2.6
65.00324	11.6
66.00664	0.3
70.30148	0.5
79.95689	0.3
83.01377	6.1
88.10918	0.3
96.96017	0.4
107.01388	16.8
107.05052	0.7
108.01675	0.4
109.02940	2.2
117.03474	0.3
125.02438	4.5
128.38403	0.3
131.72740	0.3
134.03761	2.1
135.04523	100.0
136.04845	4.2
151.00369	94.3
152.00716	3.9
161.02470	0.5
165.01978	0.5
169.01434	1.2
177.01952	0.6
269.04535	0.6
287.05588	17.7
287.18515	0.4
288.05975	1.3
300.06567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.5
69.45811	2.3
69.46236	1.5
96.96005	1.9
98.20638	1.0
125.00650	0.4
135.04509	0.6
142.06609	0.8
143.06944	1.4
153.00139	3.2
154.00932	20.9
159.06448	1.1
166.00943	1.2
167.01717	1.6
169.03214	0.6
173.03506	0.5
179.03415	0.7
183.05630	2.3
184.01973	100.0
185.02316	4.7
185.04474	1.5
187.05861	0.5
199.04324	93.6
200.04665	4.4
201.13501	0.5
205.06964	2.0
207.02942	0.6
215.04602	7.5
243.07732	0.9
250.74055	0.5
287.02545	3.1
287.06601	23.0
287.14951	0.9
287.17789	0.6
288.06726	0.8
309.64673	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
52.74486	0.4
53.09034	0.4
54.30180	0.3
57.03436	0.8
59.01374	5.2
60.61473	0.4
61.98816	1.6
69.35774	0.4
70.50654	0.4
70.89623	0.8
71.05030	0.5
75.30403	0.3
78.95898	3.1
95.01385	0.8
96.96015	1.3
107.01421	0.5
109.06564	0.5
110.33743	0.5
111.08121	0.8
113.09727	0.4
117.03478	0.9
119.05025	4.4
123.00869	6.2
123.04518	0.4
124.01652	18.4
125.01933	0.7
125.09718	3.6
127.11272	1.0
135.04453	0.4
139.04002	17.9
140.04321	0.6
141.12842	3.0
149.99565	1.3
151.00334	2.2
152.01149	9.5
152.91724	2.6
165.01871	0.5
177.01921	1.6
183.03009	0.7
194.92734	0.8
203.02226	0.8
211.20638	1.4
221.19156	0.5
224.90242	0.4
238.78481	0.4
239.20172	2.7
241.21658	1.5
252.04231	0.8
266.67282	0.5
267.19601	0.8
270.05258	5.2
281.57553	0.4
283.19162	0.9
285.03995	1.5
285.07651	7.8
285.20673	100.0
286.08081	0.8
286.17960	0.8
286.20987	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.8
61.98813	0.8
65.00315	3.6
68.99802	1.5
69.35553	0.6
69.58347	0.4
70.69875	0.5
70.70210	1.1
72.99306	2.2
78.95895	0.8
82.00612	1.2
95.01373	0.6
96.99304	1.6
108.99317	0.9
110.00089	63.6
111.00323	0.7
111.00955	0.9
121.02905	0.6
122.00120	1.2
123.00874	3.8
124.98807	1.0
125.99545	0.5
136.98767	1.5
137.99580	20.5
139.00319	1.5
141.99113	3.7
151.00424	1.0
152.01135	0.5
152.91776	1.4
152.98360	0.7
165.99057	63.0
166.99420	2.1
169.06546	1.1
178.99873	4.7
182.99382	0.4
194.92709	0.6
213.05537	1.9
214.06238	1.0
242.05835	4.0
246.05325	3.4
267.19623	0.6
269.04459	0.8
270.05301	78.0
271.05679	6.0
272.38315	0.5
284.26694	1.9
285.07654	100.0
285.20624	5.2
286.07999	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.207
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
56.41022	0.4
57.03374	0.5
59.01281	3.2
59.01601	0.6
61.98739	1.1
61.99026	0.6
78.95832	0.9
85.25278	0.5
88.75320	0.5
96.95929	0.5
98.19869	1.3
115.31479	0.4
123.36266	0.4
124.01543	0.5
133.13474	0.4
152.91676	1.3
162.32840	0.4
165.24797	0.4
203.02232	0.6
223.20641	64.3
224.20970	5.1
236.90298	0.5
241.21771	1.9
267.19626	34.5
268.19934	3.1
270.05508	0.5
285.07733	1.6
285.20810	100.0
286.21188	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	285.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35074	0.2
59.01379	0.6
65.00318	1.8
67.23006	0.3
68.99815	0.3
69.47127	0.9
69.47546	0.7
82.00590	0.5
83.01397	0.3
84.02196	0.2
94.00593	1.6
95.01386	1.8
96.02168	0.8
107.01374	1.0
108.02193	0.3
110.00079	2.8
111.00886	1.5
115.75634	0.2
119.05026	0.4
121.02950	0.7
122.00079	2.7
123.00876	22.0
124.01661	16.7
125.02006	0.5
128.01152	0.5
130.88144	0.2
135.00835	0.3
137.02425	0.6
137.99586	0.5
138.03241	0.3
139.00325	0.2
139.04004	0.6
145.61615	0.2
149.99574	15.4
151.00357	19.2
152.01147	8.0
156.00624	0.2
164.01129	0.7
165.01891	1.6
167.03458	0.4
178.99843	13.8
180.00195	0.5
183.02913	0.4
185.06001	0.4
195.04431	0.6
196.05162	0.3
197.06078	0.9
198.06842	0.5
201.05518	1.4
213.05542	1.4
214.06262	0.8
223.03951	0.4
224.04762	7.1
225.05319	0.7
226.06390	0.3
229.08633	0.4
239.03479	0.7
239.07077	1.3
241.05005	0.5
241.08791	0.3
242.05902	2.1
243.06348	0.3
252.04242	4.7
252.06723	0.5
253.04912	0.7
257.08200	0.3
267.06570	4.8
270.05298	33.7
271.05621	2.5
284.26624	0.5
285.07645	100.0
286.07980	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	285.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61648	1.2
59.01378	12.5
61.98829	1.9
62.18367	1.0
65.00326	7.0
68.99822	1.2
72.91685	1.4
72.99306	2.9
73.83703	1.2
78.95896	5.9
83.05022	1.7
87.35812	1.1
93.03457	1.4
93.55259	1.2
96.96010	1.4
96.99302	2.2
110.00089	62.8
111.00897	1.3
119.05015	5.4
123.00877	4.2
124.01656	2.2
136.98796	2.8
137.99591	23.4
139.00406	2.0
141.99051	4.4
142.30415	1.2
143.00830	1.3
149.99565	1.4
151.00282	2.6
152.91728	2.3
153.33321	1.1
165.01909	3.2
165.99065	46.0
166.99306	1.9
169.06483	1.5
178.99825	5.5
208.48755	1.2
213.05525	3.6
224.02475	1.2
225.15044	1.3
233.14961	1.3
242.05783	3.9
246.05222	2.9
268.55283	1.3
270.02243	2.0
270.05313	80.8
271.05634	5.6
284.26736	8.4
285.04108	8.1
285.07626	100.0
285.20651	13.3
285.26984	3.3
286.07990	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	285.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00267	0.5
53.27608	0.4
55.01295	0.4
55.58579	0.4
59.01373	2.1
61.86679	0.4
63.77016	0.4
65.00319	3.0
68.29323	0.4
68.99814	1.8
69.86156	2.4
72.99307	2.5
73.69969	0.4
80.99834	0.5
82.00612	1.4
91.33122	0.4
95.01407	0.4
96.99262	1.0
108.99326	1.1
110.00089	66.8
111.00439	1.7
122.00114	0.7
123.00876	4.4
124.01705	0.9
124.98819	1.0
125.99567	1.2
136.98834	2.7
137.99580	20.1
138.99910	0.7
139.03958	0.6
141.99089	3.8
151.00333	1.4
152.98361	0.6
164.98474	0.4
165.99060	65.3
166.99423	1.7
169.06592	0.6
178.99883	5.2
181.92889	0.5
193.01297	0.5
213.05516	1.6
214.06204	1.1
227.03452	0.4
242.05824	3.6
246.05185	2.3
270.05301	80.1
271.05649	5.1
284.26746	1.2
285.07657	100.0
285.27151	0.6
286.05057	0.8
286.08035	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0764
Annotation	5,6-Dihydroxy-4'-methoxyflavanone
Peak:m/z	Relative Intensity
55.51439	0.1
59.01372	0.8
65.00320	2.6
67.01917	0.2
68.99822	0.5
69.03451	0.2
71.01355	0.2
71.63328	0.2
72.99310	0.2
79.01891	0.2
79.95717	0.4
80.02677	0.4
82.00620	0.3
83.01374	0.3
86.63544	0.1
93.93563	0.1
94.00576	1.0
95.01381	2.1
96.02176	0.6
96.96019	0.5
96.99322	0.5
97.02954	0.1
102.62306	0.1
107.01379	1.0
108.02185	0.4
109.02991	0.2
110.00091	3.3
110.21243	0.1
111.00893	1.6
112.20676	0.1
117.03547	0.1
119.05046	0.4
121.02962	0.4
122.00069	1.4
122.00879	0.1
123.00881	21.9
124.01661	17.2
125.01991	0.6
128.01158	0.6
130.08757	0.2
135.00917	0.3
136.01648	0.2
137.02425	0.8
137.99567	0.3
138.03214	0.4
139.00354	0.5
139.03986	0.7
147.00873	0.1
149.99577	14.3
151.00366	19.9
152.01158	7.2
153.01480	0.2
159.18361	0.1
163.00371	0.2
164.01167	0.8
165.01939	1.3
167.03535	0.2
168.00629	0.2
169.06651	0.2
171.04555	0.2
172.05273	0.1
178.99850	14.0
179.03398	0.4
180.00227	0.5
180.05756	0.3
183.02985	0.6
184.05196	0.1
185.06050	0.2
195.04488	0.4
196.05353	0.3
197.06056	0.8
198.06778	0.6
199.04021	0.2
200.04741	0.2
201.05582	1.9
204.04323	0.2
208.05280	0.3
211.07678	0.2
212.04668	0.1
213.05544	1.7
214.06328	0.9
223.03975	0.5
224.04764	6.7
225.05290	0.9
226.06337	0.4
227.07317	0.3
229.08656	0.1
239.03458	0.8
239.07138	1.2
241.04906	0.7
241.08583	0.2
242.05824	2.3
249.11339	0.4
251.03317	0.2
252.04259	4.0
253.04898	0.5
254.05788	0.2
255.06699	0.2
257.08191	0.5
267.06586	4.3
268.06979	0.6
269.04462	0.3
270.05301	31.9
271.05652	2.4
284.07056	0.1
284.26773	0.5
285.07654	100.0
285.27069	0.4
286.07996	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	284.2228
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.18705	0.2
59.01369	1.6
61.98811	0.3
70.25854	0.4
70.26225	0.7
72.04543	0.7
73.14486	0.2
74.02467	100.0
75.02794	1.0
78.95905	0.2
84.04552	1.4
85.02941	0.3
116.85447	0.2
198.14211	0.2
202.02618	0.6
240.23273	4.4
241.23576	0.3
284.22290	48.8
284.26682	6.4
285.22464	3.1
285.27185	0.2
305.46460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0436
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99594	1.1
59.01376	53.2
66.12083	0.6
69.75364	4.0
72.99315	1.0
74.99096	4.2
75.34685	0.6
77.47682	0.6
79.78335	0.6
83.05032	1.3
85.80419	0.6
88.78272	0.6
96.96004	1.0
102.98563	0.8
114.05584	3.8
116.05098	0.7
119.05016	51.0
120.05352	1.5
120.99645	100.0
122.00005	0.9
136.99159	4.1
142.06593	0.9
143.06944	2.7
158.06068	0.9
159.06419	2.0
163.03992	7.0
165.05524	0.7
167.03484	0.9
197.02737	1.1
199.04294	1.4
204.06596	1.3
205.06981	4.1
223.02638	0.7
225.16093	7.7
230.13136	0.7
284.26688	2.8
285.02444	4.4
285.05228	10.0
285.09796	1.2
285.27060	1.0
286.02319	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41748	0.2
51.11553	0.2
53.00297	0.3
59.01376	0.4
60.30328	0.2
63.82715	0.2
65.00320	10.0
66.00645	0.2
68.99809	0.9
72.99301	0.8
75.16859	0.2
78.95892	1.5
82.00603	0.6
84.99300	0.2
90.08522	0.2
95.01379	0.7
96.99297	0.6
108.99285	0.5
110.00088	20.6
111.00289	0.3
111.00914	0.6
117.03468	0.4
119.05031	0.3
123.00864	1.8
124.01672	0.2
124.98797	0.4
125.99545	0.4
133.02916	0.6
134.03749	0.4
136.97772	0.4
136.98796	6.1
137.99579	3.0
139.00316	0.5
141.03452	0.2
141.99074	1.1
143.05037	1.1
145.02953	0.2
151.00392	0.2
155.04985	0.2
158.03673	0.3
159.04471	0.7
161.81111	0.2
163.00307	0.3
164.98184	0.2
165.99054	17.4
166.99422	0.8
167.04988	0.9
170.03699	0.2
172.05305	0.3
178.02678	0.7
183.04472	2.9
184.05206	0.7
185.02415	0.8
186.03139	0.2
187.02466	0.3
187.03996	4.2
188.04732	1.6
199.03986	0.8
200.04764	4.7
201.05045	0.4
202.00938	0.2
202.02710	0.6
204.06557	0.2
211.03955	3.9
212.04765	9.6
213.01939	2.3
213.05128	0.6
214.02696	6.8
215.03180	0.4
227.03477	1.4
228.04202	0.8
229.72885	0.2
239.03450	1.4
240.04276	0.6
255.02922	1.7
256.03720	1.9
260.03271	0.7
267.03088	0.4
270.05313	0.2
283.02414	1.9
283.26407	9.0
284.03220	100.0
284.26672	2.8
285.03583	8.2
285.07019	0.3
285.12604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36884	0.9
59.01374	7.0
61.98814	3.5
70.75164	2.6
71.01363	3.5
72.99291	1.1
73.02945	0.9
74.02462	1.3
78.95901	2.3
85.02927	1.7
89.02428	2.4
94.11334	1.0
96.95985	2.2
101.02431	2.3
103.03951	0.9
107.03599	4.2
108.02045	7.6
108.03952	1.5
109.01704	1.3
109.02338	3.2
113.02391	1.2
122.03748	10.0
123.04475	1.3
126.03046	2.9
130.08728	100.0
131.09064	5.1
133.01558	16.5
134.00916	0.9
134.01962	15.6
134.04706	3.6
150.04202	58.8
151.04666	47.9
151.06311	1.4
152.07156	74.6
153.07483	2.4
154.02635	1.8
172.54385	0.9
198.12534	1.5
233.03143	1.2
283.08664	38.0
283.16345	12.5
283.26413	36.0
283.98932	1.2
284.08588	1.5
284.11252	1.9
284.13901	1.3
284.16559	1.3
284.26718	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	284.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59424	4.5
72.10117	0.6
72.99310	8.3
79.95731	6.7
80.96496	0.9
83.05945	0.6
96.95994	3.5
98.20607	0.8
116.05058	15.8
128.05043	5.4
130.06616	5.4
132.04529	1.0
142.06609	40.1
143.06931	1.2
144.04526	1.5
158.06099	32.9
159.06427	1.1
161.02202	0.6
172.04047	0.9
186.05573	14.8
187.05945	1.0
204.06628	65.8
205.06905	3.2
210.02281	10.4
222.02290	17.2
225.84666	0.7
238.01765	2.3
283.26447	1.3
284.02316	100.0
285.02621	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	283.0611
Annotation	Damnacanthol
Peak:m/z	Relative Intensity
53.59719	0.2
59.01371	5.4
63.02412	0.7
63.70028	0.3
65.00338	0.6
69.45724	0.6
69.46121	2.2
75.02404	0.3
89.02462	0.3
93.03499	0.8
95.01446	0.6
98.19898	0.6
101.02460	0.5
107.01431	0.5
119.01407	1.0
119.05051	0.6
135.00874	2.3
137.02455	0.5
143.05022	0.4
163.00354	15.5
163.06157	1.1
164.00763	0.5
181.24585	0.3
183.04512	0.5
184.29713	0.3
193.06676	0.5
195.13902	0.4
196.05292	0.3
201.02597	0.4
203.01250	0.5
209.06082	0.4
221.06026	0.5
221.15471	0.8
223.08185	0.8
223.13405	2.3
237.05550	1.2
239.16513	0.8
253.05046	1.0
255.02959	0.7
265.05020	100.0
266.05359	7.7
266.08218	0.3
268.03769	0.8
281.04550	0.4
282.25211	0.7
283.06073	43.2
283.15424	2.6
283.26389	28.3
284.03082	1.4
284.06378	3.1
284.26779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.6
60.97753	0.5
70.19051	1.9
94.00607	0.6
95.01385	0.7
101.02371	0.8
108.02174	6.3
109.02974	4.1
110.00101	1.0
110.38704	0.5
119.05019	0.9
123.00887	0.8
126.71378	0.5
137.02441	10.7
163.00305	0.8
163.06094	0.9
167.04990	2.4
171.04573	1.1
183.04543	2.5
184.05287	9.3
191.63124	0.5
195.04518	3.6
196.05240	1.1
198.03128	0.5
200.94458	0.6
201.02556	2.8
208.58044	0.5
211.03983	16.8
212.04761	21.0
213.05090	1.5
216.33167	0.5
223.04028	6.8
224.04456	0.5
239.03432	2.4
239.11577	0.5
240.04265	25.1
241.04637	2.2
251.03432	1.9
268.03741	100.0
269.04074	7.6
282.25238	1.5
283.06094	97.2
283.26392	27.3
284.06473	8.0
284.26819	1.1
297.29028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.4
63.92171	0.4
65.03970	0.8
69.03460	0.4
70.46753	1.1
73.04910	0.4
77.39204	0.4
81.03432	1.1
85.02945	0.9
91.01923	0.9
93.03446	6.6
95.01392	1.1
97.02944	0.5
108.02170	23.8
109.02958	14.2
117.03456	6.4
119.05019	100.0
120.05359	3.3
123.00865	0.8
135.00859	0.8
137.02434	65.6
138.02748	1.9
145.02928	3.1
148.01688	0.4
161.02367	0.4
163.06180	0.7
177.01894	2.2
199.37239	0.4
201.02510	1.8
211.04076	0.7
223.08145	0.5
240.04263	0.6
246.15167	0.4
251.12909	0.5
265.18060	0.6
268.03650	3.1
272.48654	0.3
280.88287	0.4
283.06097	24.1
283.19229	1.1
283.26401	21.0
284.06387	2.0
284.26801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01718	1.1
69.44672	4.5
86.58645	0.6
90.38030	0.6
96.48494	0.6
96.96018	1.2
109.92762	0.6
133.81931	0.6
156.64098	0.6
185.93076	0.6
278.58804	0.7
283.26392	20.4
284.26822	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2483
Annotation	Petroselinic acid
Peak:m/z	Relative Intensity
59.01374	4.9
70.89158	0.7
70.89492	0.5
71.01382	0.5
86.53152	0.3
97.09763	0.4
102.24309	0.4
102.52956	0.4
126.17275	0.4
170.04359	0.4
247.68448	0.4
263.23834	1.0
281.24826	100.0
282.25180	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	282.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93095	0.2
56.65458	0.2
58.59486	0.2
59.01365	0.3
61.98821	0.2
65.99853	0.2
66.00983	0.5
71.01366	0.3
71.04940	0.4
78.00980	0.2
81.01310	0.2
82.04095	0.9
95.90739	0.2
107.03630	4.0
108.02033	9.4
122.03564	0.2
123.04504	0.2
126.03094	3.7
130.08725	3.8
133.01553	27.9
134.01892	0.6
150.04201	100.0
151.02704	0.3
151.04631	2.7
152.01035	0.2
152.07205	1.1
164.05751	0.3
199.83517	0.2
214.55894	0.2
268.93564	0.2
281.24786	0.6
282.08401	30.4
282.25134	0.8
283.08667	1.5
283.16333	0.2
283.26199	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0609
Annotation	Glycitein
Peak:m/z	Relative Intensity
59.01376	3.1
65.00336	0.7
68.99797	0.6
69.82034	2.1
74.61704	0.4
81.34675	0.4
98.19947	0.7
98.48318	0.4
110.99312	0.4
147.04521	1.0
156.05733	0.4
163.06122	0.9
167.05060	0.6
168.05824	1.4
172.05244	1.5
180.05838	0.5
183.04485	0.5
184.05235	0.5
195.04478	3.5
196.05278	80.4
197.05627	4.6
198.03221	1.8
206.89944	0.5
211.03984	2.2
212.04704	1.9
223.03940	2.0
224.04842	5.1
233.19734	0.4
239.03477	1.5
240.04251	16.7
241.04524	1.0
267.02988	0.6
268.03745	59.6
269.04095	4.9
283.06097	100.0
283.26379	14.7
284.06427	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	281.099
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99608	4.7
59.01374	13.1
59.28420	0.5
61.98828	100.0
69.55003	2.8
71.01368	1.4
74.10509	0.6
74.99089	2.0
77.16981	0.5
80.96537	0.7
85.02970	1.3
87.00868	0.9
88.04030	2.5
93.03472	0.7
96.96024	2.7
99.36845	0.6
101.02468	1.7
107.03671	0.7
113.02443	1.1
114.05585	0.6
116.81488	0.6
130.08745	2.1
134.03804	0.8
134.04716	2.4
136.99133	1.4
137.02426	0.6
146.08276	0.7
147.93156	0.5
150.04204	1.0
161.04579	0.8
169.13445	0.6
172.18520	0.5
193.10924	0.5
210.82646	0.6
218.10229	2.9
221.06720	1.1
227.10382	0.9
237.12367	0.7
246.40244	0.6
263.10522	0.5
281.08224	0.9
281.11044	6.4
281.24841	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.5
58.99622	0.6
59.01377	100.0
60.01722	0.8
61.98829	19.3
71.01373	4.5
72.00909	1.5
73.02967	0.9
73.34272	0.5
74.99103	0.7
80.96532	0.5
82.02987	0.8
83.01362	0.8
85.02954	2.8
87.00906	1.4
88.04049	0.8
88.98803	1.2
89.02452	2.0
93.03476	0.8
95.01396	0.7
96.96013	4.3
99.00849	0.6
101.02463	2.9
109.02946	0.5
110.02472	1.7
111.02020	1.9
113.02418	3.7
114.05624	1.4
119.05051	0.5
120.99660	0.6
121.03007	0.7
123.04502	3.3
124.04015	1.3
127.05127	3.0
129.01945	1.0
130.08783	0.6
131.09178	0.5
133.01585	1.3
133.02933	0.7
134.04764	2.2
135.04514	6.8
140.82832	0.5
145.06218	0.6
147.04543	3.7
150.04211	4.1
154.40884	0.5
161.04546	1.5
164.07152	10.5
165.07544	0.7
167.04617	1.4
188.07204	0.6
203.70732	0.5
218.10400	0.9
221.06683	1.1
221.10196	3.5
243.06181	2.9
263.10400	1.5
264.08841	1.5
266.65729	0.5
281.03485	1.2
281.06686	1.0
281.08746	2.1
281.11545	4.4
281.24841	45.6
282.09995	0.9
282.25214	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	280.0823
Annotation	Fenitropan
Peak:m/z	Relative Intensity
51.16617	0.5
59.01374	4.8
71.01375	9.0
72.00909	0.9
84.95796	0.4
88.04035	100.0
89.04383	1.9
96.00937	0.6
96.96012	2.0
96.99326	0.8
99.00865	0.8
102.58256	0.5
104.85311	0.4
106.03622	0.5
106.04218	2.9
108.02180	1.0
109.01678	3.0
114.01954	6.1
115.00362	17.6
116.00708	0.8
120.16087	0.5
132.03017	99.9
133.03355	1.9
147.04497	1.7
164.07152	4.3
165.00116	1.5
165.05536	6.7
165.58066	0.5
176.07199	0.7
178.30040	0.5
236.07417	3.4
236.08913	3.2
244.06169	2.9
244.08556	0.7
262.07233	2.1
279.23221	2.3
280.08289	29.5
280.11951	1.3
280.23611	19.9
281.03152	0.6
281.08578	2.0
281.13931	0.6
281.24838	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	280.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13768	0.3
57.69793	0.3
59.01376	2.2
71.01382	0.9
73.02945	0.4
73.37388	0.5
78.24035	0.4
79.95742	0.7
80.96527	0.5
85.02947	0.9
96.00869	0.5
96.96005	1.7
98.28141	0.4
100.04061	0.4
109.01685	1.6
113.02435	0.9
119.05010	0.5
121.02938	0.5
129.01932	0.6
133.02936	1.7
134.03732	72.8
135.04604	2.6
137.02415	0.7
145.02895	0.8
147.04495	4.1
148.05295	61.5
149.06070	100.0
150.03166	0.7
150.06425	4.8
151.03955	0.5
161.02446	1.4
162.03212	0.7
162.05641	0.5
164.07143	0.8
174.02103	0.5
175.02759	1.1
176.03421	0.9
178.05096	0.6
190.05077	23.8
191.05472	1.3
206.08224	0.4
220.06201	0.7
237.07642	0.6
244.06145	1.6
246.07587	0.7
248.09204	0.6
262.07062	0.7
264.08737	13.8
265.09515	9.1
279.23279	1.7
280.11868	51.3
280.23599	15.5
280.26630	0.8
281.06738	1.3
281.12231	3.6
281.24829	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.8
59.01378	7.9
59.99130	0.6
60.99304	12.9
68.99818	0.7
71.01377	7.4
71.61323	0.8
71.61726	1.2
72.99287	0.9
75.00871	0.6
78.95905	1.8
79.88612	0.6
82.02998	0.6
83.01389	0.7
83.07973	0.7
84.18053	0.6
85.02953	5.4
87.00871	2.4
87.92525	0.6
88.98801	100.0
89.02440	3.5
89.99175	0.9
96.96010	4.2
96.96954	1.3
101.02441	4.0
110.02472	2.0
111.01995	3.0
113.02434	5.5
120.99622	0.7
129.01933	0.9
133.01534	1.2
135.04504	1.4
150.04182	2.9
161.04541	1.0
200.05591	1.2
237.08801	0.9
243.06184	5.3
243.54933	0.7
280.23709	1.8
281.03568	1.5
281.08923	7.7
281.11469	1.3
281.24847	9.5
282.09430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0455
Annotation	Pseudobaptigenin
Peak:m/z	Relative Intensity
59.01096	0.2
59.01372	3.1
63.02381	0.5
65.00306	0.8
68.99805	0.2
70.10501	0.4
70.10902	0.2
89.00326	4.3
90.00636	0.2
91.01888	1.2
96.95953	0.2
101.02477	0.2
106.00602	1.9
121.02945	11.6
122.03273	0.3
129.03439	0.6
132.02155	1.0
133.02950	0.4
136.98802	0.3
141.03429	0.2
145.02954	0.4
154.04256	1.0
156.02158	0.4
157.02937	15.9
158.03421	0.8
161.02461	0.2
166.04210	0.6
169.02930	0.3
170.03673	0.5
172.01595	0.3
181.02945	3.7
182.03717	8.3
183.04050	0.3
185.02446	1.6
187.03830	0.2
193.02779	0.2
194.03703	8.3
195.04053	0.6
197.02315	0.3
197.05957	0.1
198.03209	1.3
201.01938	0.3
205.02866	0.2
207.04507	4.1
208.04799	0.3
209.02422	6.6
210.03189	10.7
211.03592	0.8
213.01929	1.0
221.02388	0.3
221.06618	0.3
222.03194	1.5
225.01913	1.2
225.05518	0.5
226.02699	1.3
229.01414	0.4
230.02185	0.6
237.01912	17.4
237.05722	0.5
238.02675	16.5
239.03061	1.2
249.02005	0.5
251.03447	0.4
253.01410	6.0
253.05043	0.7
254.01961	0.2
265.01367	1.2
266.02173	39.2
267.02545	2.8
270.01489	0.2
280.03741	0.3
280.23615	2.1
281.04526	100.0
281.17325	0.9
281.24814	11.0
282.01648	7.8
282.04868	6.8
282.08075	0.3
282.25027	0.2
288.57642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.47719	0.2
59.01357	1.0
66.28692	0.2
70.63174	0.7
70.98927	0.2
87.87369	0.2
124.09715	0.2
127.07652	0.4
146.28764	0.3
205.19719	0.3
213.52109	0.3
215.60863	0.3
233.22690	0.7
259.20627	0.7
275.19965	0.3
277.21686	100.0
278.22046	8.0
278.24985	0.2
281.61096	0.2
297.82278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
60.09852	1.2
71.01364	1.2
71.39626	1.5
72.00391	4.1
72.05571	1.1
72.97533	2.7
87.00874	22.8
89.97823	1.2
90.98588	100.0
108.72027	1.2
117.00127	1.7
129.07434	81.5
130.07774	2.7
135.01207	6.3
145.06915	4.5
147.08484	79.8
148.08804	2.3
150.91525	1.1
173.06396	18.5
179.00194	32.1
191.07442	19.2
194.26436	1.2
217.08998	29.5
218.09277	2.0
222.88472	1.2
235.10062	11.5
261.07944	12.5
279.09064	28.6
279.23245	37.1
280.23672	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	279.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
57.03444	3.2
59.01382	2.5
65.39326	0.5
67.01884	1.5
68.99805	1.6
69.03448	4.9
69.73610	0.8
69.74022	1.8
71.01379	6.0
72.99306	5.5
82.10345	0.5
83.01380	2.7
84.02174	1.3
85.02949	15.1
87.00867	4.3
87.04509	100.0
88.04825	1.4
96.95983	1.4
97.02944	9.7
99.00871	4.6
101.06065	2.0
111.00862	1.9
111.08146	0.6
113.02465	2.4
115.03986	3.4
125.55590	0.5
127.07661	2.0
129.01938	10.0
129.02818	0.9
129.05551	1.2
141.01915	3.2
143.11412	0.5
155.07117	4.0
159.02980	2.2
165.41161	0.5
191.05603	9.4
203.96404	0.4
205.51045	0.5
229.07207	1.5
279.10840	40.1
279.23267	30.1
280.08524	0.7
280.11194	2.6
280.23630	2.5
288.58051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.71288	0.3
59.01369	0.4
60.32351	0.4
69.71275	1.1
69.71676	1.5
79.27476	0.4
103.49022	0.4
112.16031	0.4
127.25241	0.4
151.37488	0.4
212.37236	0.4
261.22134	0.6
272.69516	0.5
279.23264	100.0
280.23608	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.82709	0.2
52.95596	0.3
53.34366	0.3
53.55245	0.2
54.12295	0.2
56.40538	0.3
59.01377	0.4
63.65880	0.2
69.05468	0.2
70.37506	1.1
70.86063	0.2
86.88761	0.3
98.19871	0.3
140.79984	0.3
143.89024	0.3
261.22235	0.4
266.03488	0.3
279.23251	100.0
280.23621	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	279.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01725	0.3
59.01362	0.8
64.18495	0.3
70.47847	0.7
96.96011	1.5
111.16901	0.3
124.86505	0.2
261.22061	0.3
275.62253	0.2
279.23260	100.0
280.23593	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01367	0.9
69.37093	0.9
69.37524	0.9
72.90279	0.2
79.56674	0.2
86.51456	0.2
87.00962	0.2
96.95978	0.5
148.48091	0.2
167.46759	0.2
171.29131	0.2
220.28514	0.2
261.22098	0.5
279.23245	100.0
280.23566	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	277.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	0.2
59.01378	3.3
71.01371	0.3
76.15211	0.2
93.39948	0.2
121.02936	0.6
127.07546	0.3
127.69650	0.2
152.91803	0.4
159.12016	0.3
194.92761	0.4
205.15799	0.5
218.48276	0.3
230.01605	0.2
233.22722	0.5
249.15428	0.3
259.20581	0.5
267.45221	0.3
267.60504	0.3
275.20129	0.6
277.18332	5.2
277.21683	100.0
278.18802	0.5
278.22040	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	277.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70420	0.4
52.98443	0.4
54.32265	0.4
58.99591	0.5
59.01384	2.6
59.14571	0.5
64.04967	0.5
66.03471	0.6
70.15146	0.9
71.01357	0.6
72.00914	1.5
72.97547	0.6
74.99093	5.6
79.95708	0.5
82.06618	1.3
87.00869	2.6
90.98581	8.2
91.05511	3.5
96.95988	1.4
97.51060	0.4
103.05511	0.6
112.07669	4.2
120.99643	4.0
121.02921	1.0
124.90849	0.5
127.05875	8.6
128.03493	0.6
129.10336	53.7
130.06609	1.5
130.08728	11.8
130.10646	1.6
134.03706	1.1
135.01222	0.8
135.04485	0.9
141.10330	4.8
144.04506	1.1
145.06935	7.0
146.06068	0.7
147.04517	14.4
148.03931	0.6
149.06065	0.7
161.07224	0.9
164.05826	0.9
164.07155	13.6
167.99394	2.6
174.05573	2.1
179.00159	3.6
183.01746	5.5
189.05600	2.6
190.05054	1.1
191.29237	0.5
198.04079	8.2
215.07407	2.7
216.13960	0.8
217.04579	0.5
233.08533	1.7
233.16597	3.1
250.62112	0.5
277.07556	4.4
277.15536	100.0
277.21695	15.7
278.15878	6.8
278.22095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03147	0.9
51.86506	1.1
57.42666	1.2
58.02965	5.2
58.99591	5.6
59.01372	2.0
71.01370	1.3
71.38906	2.1
72.97530	2.8
74.99092	54.8
76.71069	1.2
84.04542	1.2
87.00869	17.4
90.34932	1.0
90.98589	65.5
95.75072	1.3
98.01970	4.2
127.05871	100.0
128.03529	2.4
128.05020	1.6
128.06133	1.7
130.06619	18.4
131.03783	2.8
133.24084	1.3
134.03706	4.5
135.01221	5.3
144.04552	8.8
145.06924	73.2
146.06088	4.8
146.07233	2.2
148.04005	2.0
149.06050	3.3
160.99184	1.5
163.60558	1.3
172.04097	1.5
173.07167	1.6
174.05605	21.0
174.33321	1.1
179.00177	24.3
186.57382	1.1
189.05908	19.3
190.05043	15.2
213.26804	1.1
215.07417	34.8
216.07733	2.0
218.04543	3.7
233.08424	10.1
277.07480	22.7
277.15417	2.5
277.21719	8.4
278.07922	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	276.124
Annotation	Obscurolide A3
Peak:m/z	Relative Intensity
59.01363	2.2
61.98816	1.1
69.78823	3.8
91.05521	2.6
100.07653	1.4
101.06062	0.9
109.38977	0.7
118.06606	1.8
128.07169	30.3
128.08121	1.5
129.07516	1.0
136.93991	0.8
152.91756	7.0
167.90462	1.1
176.01225	0.8
190.67888	0.7
191.05682	0.8
194.92737	9.8
194.95566	2.4
204.13983	1.9
208.06702	0.7
212.93823	1.0
232.13391	100.0
233.13687	7.8
261.10010	0.8
263.88297	0.7
276.12311	2.9
276.93103	2.8
277.21689	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	276.9179
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98809	1.1
72.99285	0.4
78.95903	7.6
79.95727	0.5
96.96003	14.6
96.96914	1.8
119.93631	0.3
134.96109	0.6
134.97061	1.8
136.93999	100.0
137.94060	5.6
178.95068	2.7
193.64178	0.3
197.90665	0.3
216.89633	95.9
217.89687	6.1
232.99783	0.4
234.90707	20.5
235.90828	1.4
239.53813	0.3
258.87482	0.4
258.91510	0.5
276.88397	1.3
276.91693	2.6
276.98740	6.5
277.21664	2.9
292.54846	0.3
298.18619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35365	0.4
59.01369	0.6
70.31862	1.3
71.01379	0.4
78.95898	39.9
85.35585	0.3
87.56098	0.3
96.95966	3.6
96.96955	100.0
102.13003	0.3
104.35783	0.4
116.07195	0.5
120.99657	1.7
128.03523	0.7
138.16776	0.4
142.99864	0.4
148.04019	0.5
186.95609	0.4
206.98936	0.4
216.90622	2.1
233.13278	0.4
258.92587	0.7
276.98859	1.0
277.03610	0.6
277.08435	0.6
277.21667	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	277.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35365	0.4
59.01369	0.6
70.31862	1.3
71.01379	0.4
78.95898	39.9
85.35585	0.3
87.56098	0.3
96.95966	3.6
96.96955	100.0
102.13003	0.3
104.35783	0.4
116.07195	0.5
120.99657	1.7
128.03523	0.7
138.16776	0.4
142.99864	0.4
148.04019	0.5
186.95609	0.4
206.98936	0.4
216.90622	2.1
233.13278	0.4
258.92587	0.7
276.98859	1.0
277.03610	0.6
277.08435	0.6
277.21667	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	277.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50071	0.3
67.70533	0.3
70.17303	1.2
74.19127	0.3
78.95900	38.1
85.02913	0.3
96.96955	100.0
99.00829	0.4
120.99636	0.5
128.03511	0.7
148.04144	0.3
198.90565	0.3
216.24745	0.4
216.90630	0.9
258.92627	0.5
276.98819	0.5
277.05634	0.4
277.21646	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	277.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25348	1.2
55.19950	1.3
58.02980	8.0
59.01368	8.8
61.98812	2.9
64.12982	1.2
69.73470	1.1
71.01382	3.7
71.61662	1.6
73.01190	2.5
73.02966	1.7
73.56492	1.1
74.02488	1.2
75.00831	1.3
78.95898	40.1
83.10547	1.2
84.04550	5.5
85.02971	1.4
86.39076	1.2
86.58649	1.4
88.04016	1.1
89.02419	1.4
92.05051	3.6
96.96052	6.2
96.96954	100.0
97.02914	1.6
98.02473	1.3
113.06145	1.5
115.03993	1.6
119.04995	3.0
120.04548	2.2
120.99640	10.2
121.02940	3.3
125.03556	3.8
127.99871	1.9
128.03537	17.1
128.05026	1.5
129.01868	2.0
130.06593	1.3
130.08713	4.7
132.03014	1.7
134.03796	1.2
144.04517	5.3
145.03049	1.7
146.02477	1.9
146.06087	1.9
148.04008	16.2
149.04466	1.6
149.06117	1.6
163.04022	1.8
164.07057	1.7
165.01848	1.6
165.07430	1.5
168.06540	1.7
174.05545	1.6
185.09406	1.5
189.02174	1.7
189.05878	3.9
190.05064	1.4
194.77516	1.4
213.12404	3.1
215.08209	4.7
259.07101	1.6
276.98956	1.5
277.03699	3.3
277.08395	6.4
277.12250	12.7
277.21686	66.5
278.21988	3.1
283.75330	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66126	0.3
56.36600	0.4
57.03364	0.5
58.02888	0.7
58.03140	0.4
59.01260	1.5
71.62384	0.4
72.99192	1.3
72.99548	0.4
73.02819	0.4
83.04910	1.1
83.05354	0.4
84.04436	0.4
85.06485	0.4
86.02363	0.4
87.00798	0.5
92.02446	0.7
96.95893	0.9
97.06493	0.7
97.17716	0.3
99.04406	0.6
116.04929	0.5
118.02901	0.7
119.04821	0.3
120.99576	0.9
132.04451	0.5
132.05484	0.7
133.03934	1.2
141.05516	0.4
144.04419	1.1
145.02907	3.0
146.02473	8.9
147.03175	0.5
158.06079	0.6
159.03178	0.7
160.03925	3.7
160.05081	5.8
161.03455	0.7
162.05518	0.4
169.04021	0.4
170.04808	0.5
171.05612	4.3
172.03996	2.9
172.05325	0.5
173.02234	1.2
183.09200	1.1
187.06235	0.5
188.04660	16.8
189.04979	0.9
189.06596	3.1
195.06532	1.0
203.05763	3.3
204.06642	1.9
215.04591	2.9
216.02853	17.0
216.04951	0.9
217.03099	0.8
231.05199	100.0
232.05470	5.2
233.05556	0.5
245.09262	0.5
274.56421	0.4
275.07877	41.4
275.10535	2.1
275.14832	7.2
276.08148	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	275.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12821	0.7
56.29675	0.7
67.03004	3.0
70.02963	1.3
70.41032	0.7
70.41546	1.7
70.41946	1.4
71.01385	0.8
72.00894	1.0
72.99345	1.0
82.02969	5.0
91.05528	2.9
98.02467	1.2
107.02518	3.1
109.04063	19.5
112.04007	4.2
127.05128	100.0
128.05486	2.7
139.05116	1.0
147.04491	6.1
158.06046	0.8
164.07135	2.4
186.09119	1.0
191.20914	0.9
214.08720	1.2
231.11314	4.1
275.10352	74.2
276.10635	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	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85788	2.3
59.01353	3.3
63.67938	2.6
69.29863	23.9
97.80627	2.2
98.20648	5.4
147.03421	3.4
231.21136	100.0
232.21460	7.7
275.20105	24.2
276.20486	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	272.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	11.6
60.73084	0.3
61.98836	2.5
69.03466	0.3
71.01382	0.7
71.23011	0.5
71.23341	0.4
72.00894	0.6
72.99297	0.5
73.02916	0.5
74.02470	3.9
74.99382	0.5
78.95889	0.8
84.08170	0.4
85.02929	0.4
87.00867	0.6
87.92550	0.4
88.04040	0.6
88.98804	0.9
96.96024	0.4
96.96964	0.6
97.02950	0.3
99.00891	0.4
101.02515	0.4
108.02176	1.5
109.02515	1.2
110.98518	0.5
111.00875	0.7
112.98796	0.5
115.00362	0.4
117.00436	1.5
117.77153	0.3
125.00890	0.4
125.23552	0.4
126.98846	0.4
127.05108	0.4
128.07159	1.8
129.10338	1.3
130.08728	100.0
131.09074	2.4
134.04730	0.6
138.50658	0.4
154.90627	0.9
168.05147	0.4
168.99957	1.6
172.01070	0.5
183.75192	0.3
197.12953	0.6
201.02423	0.7
210.06230	0.8
214.02481	0.7
228.07269	2.2
228.17169	1.2
230.08823	6.8
230.15190	0.6
272.09894	52.1
272.15930	4.1
273.10037	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	273.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
62.96389	0.3
71.01374	3.7
71.47453	0.3
71.61700	0.6
72.00905	0.4
72.99290	1.0
74.90597	0.3
74.99083	0.5
76.98669	0.7
78.95896	100.0
80.96529	0.6
84.26992	0.3
85.02953	1.0
87.00863	5.1
89.02441	0.4
93.31827	0.3
96.95995	9.6
96.96952	9.4
97.02934	0.3
98.02493	0.5
98.95596	1.0
99.00867	0.5
99.05609	1.8
100.04040	2.3
103.00369	2.4
110.98521	58.1
112.04037	0.5
113.02421	0.6
117.06669	0.5
118.05083	0.4
125.02445	0.4
127.05135	0.5
128.03520	0.9
129.01923	0.7
129.06686	2.0
132.04163	0.3
136.94002	5.0
137.94037	0.5
140.07126	0.6
140.93306	0.7
144.11446	0.6
145.06219	0.4
145.09790	1.1
154.90581	7.3
154.91573	0.8
157.03532	0.5
157.09810	1.7
158.92500	0.4
178.87894	0.3
189.08669	0.4
193.03526	2.8
196.92572	0.4
198.88753	0.6
198.90518	7.7
199.90622	0.6
200.92137	1.7
201.08784	6.7
211.90125	0.3
214.93668	3.3
223.00124	0.6
229.11763	0.3
230.87178	1.1
230.93021	0.5
237.06120	2.1
240.91588	4.3
241.01158	16.5
242.01492	0.5
254.86147	2.8
256.13248	0.4
272.83109	0.9
272.83975	0.6
272.87387	2.8
272.94211	12.0
272.99008	2.8
273.03772	91.3
273.10901	3.3
273.94424	1.1
274.04117	3.1
274.14029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
62.96389	0.3
71.01374	3.7
71.47453	0.3
71.61700	0.6
72.00905	0.4
72.99290	1.0
74.90597	0.3
74.99083	0.5
76.98669	0.7
78.95896	100.0
80.96529	0.6
84.26992	0.3
85.02953	1.0
87.00863	5.1
89.02441	0.4
93.31827	0.3
96.95995	9.6
96.96952	9.4
97.02934	0.3
98.02493	0.5
98.95596	1.0
99.00867	0.5
99.05609	1.8
100.04040	2.3
103.00369	2.4
110.98521	58.1
112.04037	0.5
113.02421	0.6
117.06669	0.5
118.05083	0.4
125.02445	0.4
127.05135	0.5
128.03520	0.9
129.01923	0.7
129.06686	2.0
132.04163	0.3
136.94002	5.0
137.94037	0.5
140.07126	0.6
140.93306	0.7
144.11446	0.6
145.06219	0.4
145.09790	1.1
154.90581	7.3
154.91573	0.8
157.03532	0.5
157.09810	1.7
158.92500	0.4
178.87894	0.3
189.08669	0.4
193.03526	2.8
196.92572	0.4
198.88753	0.6
198.90518	7.7
199.90622	0.6
200.92137	1.7
201.08784	6.7
211.90125	0.3
214.93668	3.3
223.00124	0.6
229.11763	0.3
230.87178	1.1
230.93021	0.5
237.06120	2.1
240.91588	4.3
241.01158	16.5
242.01492	0.5
254.86147	2.8
256.13248	0.4
272.83109	0.9
272.83975	0.6
272.87387	2.8
272.94211	12.0
272.99008	2.8
273.03772	91.3
273.10901	3.3
273.94424	1.1
274.04117	3.1
274.14029	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.44197	0.3
69.41090	1.4
69.41520	1.0
74.53064	0.3
81.33421	0.3
98.19894	0.7
225.22195	4.1
226.22711	0.4
253.21709	1.4
269.21198	1.1
271.22751	100.0
272.23123	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
53.14169	0.5
55.02615	0.6
59.01376	100.0
59.09865	0.6
60.01685	0.8
60.47097	0.5
60.99308	0.8
63.23123	0.6
63.39893	0.5
66.76222	0.7
71.00098	1.3
71.42516	0.6
87.00909	0.5
137.76929	0.6
167.15688	0.6
171.30771	0.6
209.55801	0.6
216.89592	0.6
225.22148	1.4
243.54976	0.6
271.22751	67.2
272.23141	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	271.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
59.01370	0.7
61.98806	0.2
69.59537	1.3
89.02438	0.3
93.81144	0.2
98.20517	0.3
108.02184	0.3
109.02945	0.3
112.98544	0.5
125.02424	0.3
138.10791	0.2
165.77304	0.2
176.98793	0.6
192.24106	0.2
210.92253	0.4
211.20625	1.6
225.22163	1.0
231.98956	0.2
241.05156	0.3
245.57199	0.2
253.21709	1.8
269.21100	0.7
271.22745	100.0
272.23099	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
70.30012	0.5
71.07831	1.3
80.90411	0.6
99.54237	0.5
108.94197	0.5
132.48749	0.6
135.79675	0.7
166.93503	0.6
197.19214	1.0
221.19121	0.9
223.20676	5.0
225.22205	63.4
226.22536	4.0
253.21674	1.5
271.22754	100.0
272.23129	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	271.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
67.01854	1.4
68.99805	1.9
71.61858	2.2
77.03954	8.9
86.15012	1.7
93.03442	1.6
95.01359	2.1
109.03013	1.7
109.37657	1.4
111.00879	2.2
118.04347	1.4
121.02969	12.4
123.00887	4.8
124.01643	4.9
125.02442	4.2
137.01416	3.2
137.02425	44.5
152.01137	4.5
152.91756	1.9
165.01913	83.6
166.02155	1.7
241.05086	2.3
244.95476	1.5
256.04669	3.3
256.07385	71.1
257.07657	9.0
271.09738	100.0
271.19324	3.4
271.22748	13.2
272.10013	7.8
272.23062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19680	1.0
59.01363	1.3
61.10112	1.1
61.98814	1.4
70.71706	1.1
71.62071	1.3
76.04884	0.9
83.05041	1.3
89.02422	1.6
108.02156	2.1
109.02943	2.1
112.98522	1.3
123.00855	1.3
124.01651	63.9
139.00372	18.6
152.01137	100.0
152.91766	1.7
153.01450	3.9
166.99811	1.7
174.85715	1.1
194.92534	1.1
238.06300	3.0
239.07140	3.0
241.05098	1.4
256.07379	59.2
257.07736	4.7
271.09741	69.6
271.19186	3.4
271.22775	5.9
272.10095	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	271.2276
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.58391	0.2
58.34414	0.2
59.01366	0.3
62.49864	0.2
69.75123	0.7
69.75543	0.4
81.03452	0.3
81.46633	0.2
83.05029	2.2
85.06587	9.8
86.06902	0.2
89.02406	0.3
98.07568	0.2
98.20651	0.4
99.08148	1.3
106.93917	0.2
108.02166	0.2
111.08134	0.2
125.02491	0.3
157.81139	0.2
167.14426	0.7
169.15973	8.5
170.16298	0.5
183.17572	0.5
197.19147	0.2
202.56657	0.2
223.20628	0.4
225.22218	15.7
226.22617	1.0
235.20653	0.8
248.56061	0.2
251.20172	0.2
253.21638	1.2
269.21133	1.6
271.22754	100.0
272.08542	0.2
272.23120	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	271.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80177	0.3
56.94074	0.3
58.93654	0.2
59.01350	0.4
61.28395	0.3
68.83391	0.2
70.99384	0.3
70.99740	0.5
71.72153	0.3
75.44942	0.3
83.05013	0.4
89.16494	0.2
92.34229	0.3
97.06564	0.7
99.08146	4.8
109.02905	0.5
113.09726	0.5
155.14401	4.4
169.15999	0.4
176.09851	0.3
176.92130	0.3
225.22185	6.2
226.22525	0.5
235.20747	0.4
241.05093	0.3
253.21622	1.1
269.21085	1.5
271.22742	100.0
272.23108	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16538	0.3
50.47059	0.3
57.03444	0.6
59.01364	1.1
71.01378	0.5
71.18893	0.8
79.62468	0.3
85.02945	0.4
88.04056	0.5
89.02466	0.6
95.02320	0.3
113.06090	1.7
186.95595	1.3
209.19077	1.3
223.82196	0.3
225.22261	0.8
238.51651	0.4
251.20128	0.5
269.21188	100.0
270.21548	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	269.2119
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
56.89425	0.5
64.49590	0.5
69.75124	3.2
71.01376	0.8
71.05016	15.8
73.02918	1.0
83.05019	2.4
87.00885	1.0
89.02425	0.9
96.22619	0.5
98.20650	0.7
99.92045	0.6
125.02508	0.5
126.05211	0.5
161.94418	0.5
186.95667	0.8
197.19000	2.7
223.20651	4.9
225.22208	25.6
226.22626	1.4
251.20154	7.5
267.23337	0.7
269.04568	1.5
269.21201	100.0
269.24728	12.8
270.21548	6.7
270.25021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75541	0.3
69.99075	1.0
87.52253	0.3
104.02675	4.8
106.83353	0.4
108.92246	0.4
113.23460	0.3
148.01648	7.7
171.93643	0.4
176.01131	86.2
177.01483	3.9
180.00638	0.4
188.68478	0.4
191.03484	100.0
192.03821	4.5
206.11418	0.4
270.99152	11.1
271.99515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0609
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.02714	0.4
61.31536	0.4
63.02396	9.7
64.02734	0.4
65.00320	16.4
66.00648	0.5
67.07217	0.4
70.00968	1.8
73.00621	0.3
73.05679	0.4
83.01381	10.8
93.03454	13.6
94.03835	0.6
98.19878	0.9
107.01382	25.3
109.02970	1.1
119.05019	70.9
120.05361	1.8
121.02924	0.9
123.00906	0.7
125.02467	2.3
137.02472	0.5
143.05069	0.9
145.02963	1.1
151.00357	65.8
152.00697	1.6
157.06586	0.5
161.06065	1.3
165.01927	3.8
169.01367	2.9
177.01910	9.1
178.74300	0.4
185.06052	1.3
187.03986	2.8
227.07086	1.3
229.05048	0.5
241.05130	0.7
253.05084	0.5
256.06540	0.7
271.06088	100.0
271.22723	1.2
272.06427	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	271.0822
Annotation	Arbutin
Peak:m/z	Relative Intensity
59.01371	0.3
69.71243	0.7
69.71651	0.2
72.99313	0.4
81.03426	0.2
88.04048	0.2
90.19299	0.2
98.20644	0.2
108.02166	1.3
109.02944	100.0
110.03281	2.5
120.99691	0.2
121.00574	0.1
147.03477	0.2
224.22444	0.2
271.08228	2.3
271.10907	0.3
271.22809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
55.29447	0.4
59.01372	1.0
67.91264	0.4
69.03456	0.5
69.21899	0.3
70.76063	0.8
70.76398	0.4
71.01376	0.9
88.04014	0.6
88.85841	0.4
97.06581	1.2
99.08156	6.0
101.02457	0.4
107.41328	0.3
120.78667	0.4
125.06079	1.2
137.32581	0.4
143.07129	10.5
153.12849	1.2
177.78053	0.6
186.95668	1.0
223.20641	1.7
225.22192	0.5
233.19064	0.7
251.20139	10.7
252.20467	1.0
267.19501	0.4
269.21191	100.0
270.21506	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98822	0.5
69.93682	2.3
71.01392	0.6
71.05025	0.5
86.26147	0.5
90.97100	0.6
113.09691	0.6
114.60740	0.4
118.14104	0.5
120.00253	0.4
122.40599	0.4
125.09723	1.1
127.11263	1.4
128.42799	0.4
132.98163	0.8
137.02419	0.5
141.09210	1.6
155.10765	1.8
163.06010	0.4
171.10237	7.4
186.95612	5.3
200.36879	0.4
223.13972	0.4
225.22197	0.5
240.40930	0.5
251.20120	12.9
251.22679	0.8
252.20245	0.8
269.04611	0.9
269.21188	100.0
270.21567	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	269.212
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
57.03440	0.6
59.01368	0.6
63.12372	0.4
70.22256	0.4
70.76616	0.8
75.02720	0.4
83.52757	0.4
87.00869	1.1
89.02432	1.4
106.32677	0.4
116.04305	0.4
125.09727	0.9
140.97792	0.4
141.12840	1.0
155.10779	0.7
171.10371	0.5
186.95598	1.4
225.22269	2.2
251.20137	2.4
254.05872	0.7
261.60248	0.4
269.04541	0.7
269.21194	100.0
270.21564	6.7
271.03503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.8
64.26366	0.7
65.00318	13.4
66.01112	1.3
68.99810	1.0
69.93275	3.0
75.19321	0.9
79.99021	1.1
85.60242	0.7
87.00873	0.9
89.02415	1.4
91.32555	0.6
94.00607	1.4
106.00597	1.4
110.00098	1.0
120.70842	0.7
125.44006	0.7
132.98196	1.1
135.04483	1.0
136.89983	0.8
141.73184	0.7
149.99574	76.1
150.99908	2.2
152.91714	1.0
163.00375	1.5
163.04024	0.9
168.00589	2.3
171.10225	1.4
177.01964	0.8
186.95583	6.6
192.80641	0.9
212.04721	4.0
225.05548	2.7
227.07169	2.1
232.87399	0.9
236.94894	0.8
251.16599	1.0
253.05057	1.9
254.05820	100.0
255.06140	5.6
269.08170	96.4
269.17636	4.8
269.21155	6.4
269.24789	3.0
270.08563	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	269.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80566	0.6
59.01358	1.3
65.00316	6.1
68.99793	2.3
70.90382	0.5
71.32433	1.3
73.58158	0.6
82.00613	1.2
82.40762	0.5
82.69530	0.6
89.02409	0.8
94.00584	3.0
96.99298	1.3
110.00094	9.1
122.00089	5.5
132.98170	0.9
135.00874	2.6
137.99553	1.1
141.16547	0.6
149.99573	22.4
152.27704	0.6
152.91711	0.9
156.05772	0.7
165.01910	0.6
185.06161	0.7
186.95584	4.2
197.05991	1.6
198.06802	2.6
225.05522	2.1
226.06319	8.2
227.07156	0.7
254.05809	77.2
255.06181	4.9
269.08148	100.0
269.21161	4.5
269.24762	2.6
270.08490	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	269.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44383	1.1
59.01361	2.5
62.74030	1.2
65.00319	13.1
66.01091	1.4
71.01366	1.6
71.41631	2.0
74.19794	1.0
79.87122	1.2
87.00884	2.3
89.02412	2.1
90.97141	1.8
106.14478	1.0
106.65099	1.1
107.58302	1.0
124.01665	1.4
132.98169	2.1
149.99573	78.7
152.91702	1.6
163.00356	3.1
177.01768	1.1
186.95630	11.9
225.05547	2.1
225.18715	1.1
226.06169	1.2
236.61868	1.1
253.05113	1.2
254.05806	100.0
255.06042	7.1
269.08163	74.8
269.21216	12.6
269.24771	6.8
270.08490	5.4
270.21613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87643	0.4
53.66423	0.3
59.01395	0.6
62.23385	0.3
65.00320	4.4
65.64417	0.3
68.99827	2.0
70.90077	0.7
82.00623	0.5
91.53782	0.4
94.00578	3.3
96.99325	0.6
105.44504	0.4
110.00085	5.8
121.02966	0.5
122.00076	5.2
135.00876	2.0
137.99576	0.6
145.78340	0.4
147.24467	0.4
149.02458	0.4
149.99577	19.2
150.99998	0.3
156.05760	1.2
157.02956	1.3
163.00359	0.5
165.01932	0.7
183.02921	0.5
184.05287	2.2
186.95653	1.7
197.06094	1.3
198.06816	3.5
202.69936	0.4
211.04016	0.5
212.04747	1.1
213.05544	0.6
225.05571	2.2
226.06348	7.4
227.07129	5.0
230.05864	0.4
234.10533	0.4
254.05826	66.3
255.06163	4.3
269.08163	100.0
269.21155	1.8
269.24478	0.8
270.08560	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
60.02868	0.4
62.25767	0.3
70.62664	1.0
70.63032	0.6
73.80244	0.3
78.76717	0.4
97.46210	0.4
120.99648	100.0
121.44019	0.4
121.99987	1.2
153.91628	0.5
181.03311	1.5
192.74274	0.4
269.04852	2.2
269.21161	0.8
269.24683	0.5
290.77808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
60.99307	12.7
69.91089	3.9
71.01364	2.8
75.00855	0.8
78.95905	6.7
83.02467	0.9
87.00870	1.2
88.04030	1.0
88.98800	100.0
89.00627	2.1
89.02435	4.7
94.92482	1.1
96.96018	6.6
96.96984	1.6
98.20589	1.8
104.03517	0.9
109.02992	1.2
112.34668	0.8
115.00314	1.1
117.00425	1.0
123.04436	0.9
133.01425	1.9
135.01138	0.9
136.94016	7.4
136.94922	1.4
137.02402	1.2
149.02771	1.5
167.03798	4.0
170.97845	1.7
195.04982	0.9
208.93568	9.1
225.07045	5.5
226.05219	1.1
234.01726	0.9
269.06989	5.3
269.21259	1.3
269.24857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
50.08794	0.8
57.03435	3.4
59.01376	9.1
61.98829	0.9
71.01359	2.0
71.72680	0.7
71.76869	0.8
84.72987	0.7
85.06576	0.7
87.00877	1.5
95.05017	1.1
96.96004	0.9
97.06571	8.5
99.08149	1.2
113.09706	6.8
121.02987	1.8
125.06083	1.4
133.81790	0.7
143.07126	28.7
151.11320	1.4
164.53607	0.9
205.19684	0.8
209.04498	1.3
215.22812	0.8
249.18575	27.2
250.18950	1.8
267.19614	100.0
268.19965	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	267.2327
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01374	0.6
61.98816	0.2
64.77724	0.2
70.59560	0.2
71.62538	0.3
73.00517	0.2
75.00806	0.2
89.00390	0.2
92.14294	0.2
92.92771	0.4
95.66867	0.2
96.95985	0.3
98.95580	0.3
267.23264	100.0
268.23587	7.5
268.26526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41401	0.3
51.34052	0.3
55.10249	0.3
57.03428	0.4
59.01366	0.7
60.91607	0.3
61.98816	0.3
66.44659	0.3
69.76601	1.3
69.77015	0.5
71.01377	0.3
71.05025	0.6
72.99302	0.4
74.02468	0.3
78.95919	0.5
79.95746	1.1
85.02956	0.3
87.00874	0.4
89.02475	0.6
93.03428	0.4
95.04346	0.3
96.96005	100.0
99.05667	0.3
99.08158	2.5
101.02525	0.3
104.03558	1.1
109.02927	0.5
109.06619	0.4
114.05551	0.5
120.99641	0.4
123.04527	0.5
127.07648	6.7
130.08702	0.5
135.04506	0.4
138.05603	0.5
139.98396	0.4
143.07126	0.4
143.11870	0.5
145.08705	0.6
153.01900	0.4
158.93541	0.4
161.75745	0.3
162.05551	0.7
164.03542	0.7
167.03716	0.3
171.06633	1.1
186.95616	0.9
187.10902	1.6
189.07683	5.2
198.40410	0.3
201.48706	0.3
226.05437	0.8
269.03336	37.0
269.21240	2.2
269.24817	1.5
270.04529	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	267.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03445	3.4
58.00587	0.8
59.01375	21.2
67.01883	0.6
68.99809	0.4
69.03456	0.7
69.81150	1.1
71.01378	29.5
72.01694	0.3
72.99309	4.0
73.02945	1.0
75.00867	12.9
78.95899	2.1
81.03445	0.2
83.01389	1.0
84.02163	0.7
85.02947	30.4
86.03290	0.7
87.00871	12.8
88.04074	0.2
89.02438	9.3
91.03976	1.0
95.01382	5.0
96.95998	0.9
99.00877	8.5
101.02445	1.4
103.00359	2.7
105.01900	0.3
109.87521	0.2
111.00860	0.4
112.01655	0.9
113.02441	36.6
114.02769	0.7
115.00374	1.3
117.01929	2.8
119.03515	0.3
127.03989	0.2
129.01947	2.0
131.03514	1.1
131.04340	0.2
132.03015	0.4
138.92119	0.2
139.00351	0.3
146.93427	0.2
149.04536	0.7
154.90465	0.4
154.91579	0.9
157.01370	1.0
169.01596	0.2
175.02444	2.0
176.94206	0.3
191.05550	0.3
193.03488	0.2
198.90631	0.4
200.92224	0.2
205.07129	0.8
207.05061	1.7
212.92369	0.2
216.87132	2.4
217.87247	0.2
223.08220	0.3
231.04941	0.3
234.88220	1.3
237.06055	0.2
244.02316	0.2
248.89752	1.6
248.98169	0.3
249.06128	3.9
267.07178	100.0
268.07562	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
61.98816	0.3
65.99855	0.5
71.62539	0.5
77.69250	0.3
78.06386	0.3
79.95718	2.7
80.96542	0.5
82.95403	0.6
91.27748	0.3
92.10863	0.3
95.95250	0.3
96.96004	100.0
161.98503	0.3
265.14755	82.1
265.25388	1.8
266.15103	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	265.1807
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
50.92002	1.1
55.69593	0.9
57.47202	0.9
59.01373	28.1
61.98819	1.3
69.03431	1.3
70.76042	2.8
78.95906	1.9
80.15496	1.0
81.03468	1.0
85.02954	1.3
85.74163	1.1
96.95990	3.3
105.22894	0.9
114.46949	1.0
149.09712	2.0
151.11295	1.6
167.10764	28.9
177.09082	1.2
195.10245	6.7
203.18019	2.2
205.07167	1.3
247.17001	10.5
265.14893	4.0
265.18057	100.0
265.62735	1.0
266.18430	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	265.217
Annotation	Hydroprene
Peak:m/z	Relative Intensity
59.01366	2.2
61.72136	0.6
70.01798	2.6
72.98194	0.5
79.05120	0.5
82.57592	0.5
84.31439	0.6
96.96003	4.3
162.22215	0.5
187.44937	0.6
215.95770	0.5
265.14722	3.0
265.21680	100.0
266.22058	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	267.072
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
50.46064	0.9
57.03446	3.0
59.01374	26.7
61.98824	3.5
70.41833	2.2
70.42219	1.6
71.01382	24.1
71.84664	0.8
72.99297	5.1
73.02948	3.8
73.04111	0.9
74.02460	0.8
74.99084	1.1
75.00870	9.0
77.02149	0.8
78.95901	3.6
79.95730	2.4
81.04615	1.1
85.02950	22.4
87.00873	100.0
88.04039	3.5
89.02442	12.5
92.92801	2.5
95.01386	3.2
96.96021	2.3
99.00883	5.9
101.02435	5.8
103.00375	1.5
105.01913	2.6
110.07254	3.4
111.00883	1.8
113.02445	23.1
113.03589	0.9
115.00363	2.3
116.07175	2.8
117.01930	3.9
119.03500	2.1
121.02966	1.3
123.04517	5.8
129.01961	2.6
129.10365	1.0
130.08708	2.0
131.03548	1.0
131.04570	1.3
132.49736	0.9
135.04515	13.1
136.04883	1.5
139.03995	2.9
141.50804	1.6
142.97545	3.0
144.46262	1.1
147.03015	1.0
147.35429	1.0
149.02426	8.3
151.02600	1.7
154.06158	0.9
157.01517	0.9
161.02599	0.9
161.04555	1.0
171.51888	2.1
175.02487	1.5
179.05569	1.0
207.05164	1.6
207.29434	1.0
207.61224	0.9
209.06685	7.1
223.15640	1.1
237.08784	2.1
237.12399	7.8
249.00246	1.2
249.06125	2.1
267.07211	65.7
267.14706	5.8
268.07773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1238
Annotation	Anisomycin
Peak:m/z	Relative Intensity
56.50679	0.8
59.01342	1.0
71.07943	2.1
81.89069	1.0
133.02953	3.6
134.02815	1.5
134.03746	15.3
135.04524	9.6
147.04439	1.0
148.05286	22.6
149.06079	19.5
150.03191	2.7
153.66246	1.0
161.02405	3.1
161.06068	7.4
162.03215	2.5
162.05663	1.5
175.02692	4.6
175.94150	0.8
176.03496	7.0
190.05081	8.9
194.02124	1.1
204.06607	9.0
206.09499	1.9
218.08147	1.9
248.09244	80.2
249.10002	52.3
250.10204	2.6
264.12375	100.0
265.12711	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34301	0.6
56.98040	1.1
58.99599	100.0
59.01376	2.9
59.99934	0.8
63.96239	2.7
63.96527	0.5
72.99303	5.5
73.08484	0.6
73.98320	2.7
74.99090	41.0
79.95733	8.2
79.96176	0.7
84.13273	0.6
85.02938	0.5
87.00878	8.0
92.44798	0.5
95.95213	1.7
96.96003	22.9
98.19899	1.2
117.97292	2.6
135.98344	5.1
136.98076	1.3
136.99138	24.7
138.97044	2.3
141.07411	1.3
147.01181	0.9
159.08521	1.5
159.97560	2.9
164.01726	1.3
167.97249	0.8
177.09523	11.2
178.03258	0.8
181.81110	0.6
198.99176	1.3
222.05928	0.7
225.07848	1.1
247.09996	4.3
265.05673	25.1
265.11102	42.7
265.55814	5.5
266.05771	1.2
266.11429	1.6
286.37234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2014
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.64814	0.3
59.01382	3.8
66.75348	0.3
71.01374	0.6
71.63113	0.4
146.02344	0.3
147.00836	0.4
175.06131	0.3
219.21091	0.5
245.19014	0.4
253.13402	0.3
263.20135	100.0
264.20496	6.7
269.97079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86321	0.2
59.01369	0.4
71.38792	0.3
71.39145	0.3
75.80592	0.2
76.41431	0.2
91.05563	0.2
102.05589	2.2
103.79250	0.2
107.05013	0.3
109.93728	0.2
115.01505	0.2
115.08739	0.3
116.09108	0.4
128.03542	1.1
131.10722	0.2
133.02945	0.6
134.03726	1.5
135.04514	100.0
136.04842	3.0
161.02428	1.8
202.63991	0.2
234.45354	0.2
264.08728	7.6
264.14499	1.3
265.09109	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19765	0.2
59.01379	2.3
69.39760	1.6
73.02935	0.2
96.96056	0.6
98.19846	0.5
100.04026	0.4
102.05601	2.9
107.05004	0.6
111.11469	0.3
118.05173	0.3
119.05019	2.1
128.03535	0.6
133.02939	0.9
134.03745	2.6
135.04518	100.0
136.04852	3.4
137.02505	0.3
145.02966	0.6
148.05302	2.0
149.06050	1.9
150.03157	0.2
157.06947	0.2
161.02438	1.9
161.06078	1.0
162.05640	0.3
175.02750	0.6
176.03555	0.7
190.05067	1.1
204.06638	2.1
204.39813	0.2
220.03220	0.2
246.07739	0.4
248.09259	8.1
249.09967	4.9
264.05582	0.3
264.08774	7.9
264.12387	10.2
265.09161	0.3
265.12851	0.3
281.23099	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22865	0.5
59.01324	1.6
69.46329	0.6
78.80033	0.6
79.95706	0.8
96.95953	1.1
98.02403	0.8
98.20633	1.3
106.04238	0.8
121.02894	0.6
133.02919	2.8
134.03729	16.9
134.07275	0.8
135.04512	7.6
135.06490	2.7
137.02422	1.4
147.04446	1.6
148.05284	20.8
149.06064	21.1
150.03123	1.7
150.06332	0.8
161.02434	4.0
161.06044	7.0
162.03180	1.6
162.05504	1.3
164.07104	0.8
175.02708	4.5
176.03514	6.3
177.03818	0.8
190.05066	11.4
193.23834	0.6
194.02037	0.6
202.08470	0.6
204.06596	11.6
205.07042	0.9
206.09500	1.5
218.08197	2.0
248.09245	83.7
249.10001	58.8
250.10381	2.9
264.12375	100.0
265.07761	0.6
265.12775	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	263.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28317	0.4
58.13816	0.3
58.99598	3.2
59.01376	6.1
69.39735	3.1
71.27040	0.4
85.14151	0.5
87.00861	4.1
87.02728	2.4
93.82462	0.4
119.12340	0.4
131.05359	1.8
133.06923	100.0
134.07268	2.7
146.86876	0.4
150.06462	0.4
203.07463	5.6
221.08492	17.1
222.08897	0.6
230.30019	0.4
263.09616	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	263.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12680	1.9
53.77465	1.5
57.03471	2.4
59.01373	13.5
59.19489	1.5
71.01380	4.7
71.05042	1.7
71.62305	1.4
71.62753	2.1
73.46764	2.1
73.53207	1.3
78.15098	1.4
78.15558	1.3
79.05537	2.0
79.81073	1.6
83.05016	4.1
85.02930	1.8
87.00898	1.7
88.23247	1.9
95.05010	3.4
97.02930	13.7
105.07091	3.9
107.05017	4.9
108.05820	8.3
109.02956	9.9
109.06596	3.7
111.04516	15.2
113.06067	8.6
113.75597	1.6
119.05045	1.6
119.08645	5.5
120.49269	1.7
121.06538	2.0
122.03739	13.7
123.04485	2.0
123.08146	9.0
125.06079	21.1
135.08093	3.7
136.05281	20.7
137.06006	6.1
138.06862	19.7
139.07649	43.5
140.52486	1.5
147.08212	2.0
148.05276	10.3
149.06032	5.3
151.07639	86.4
152.04808	10.7
152.08420	47.2
153.09230	15.5
159.11755	6.4
160.73332	1.7
161.09724	9.7
163.07639	15.1
167.07080	4.1
171.08139	2.5
175.07617	2.5
177.12880	2.0
185.09647	3.8
186.10399	1.9
188.08409	4.8
189.09175	6.1
201.12845	32.8
202.13173	2.4
203.10754	26.4
204.11534	74.0
205.11879	3.0
207.35727	1.8
219.13882	100.0
220.14114	6.2
245.00758	2.4
263.09903	2.4
263.12833	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	263.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18796	0.5
59.01375	100.0
60.01702	0.9
66.47726	0.5
69.65939	3.5
73.02938	1.3
77.63847	0.5
81.91083	0.5
83.01409	0.6
96.96009	0.8
133.02997	0.9
135.04514	10.2
135.05487	1.0
182.40010	0.6
189.52316	0.5
219.02971	1.1
248.09433	0.8
264.08859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03087	0.3
57.19261	0.3
59.01387	1.3
69.25278	0.2
70.92512	0.5
70.92850	0.4
72.07904	0.3
84.04549	0.9
87.02728	2.5
95.91266	0.3
96.95991	0.4
131.05368	1.8
133.06924	100.0
134.03734	2.5
134.07271	2.5
148.05289	0.9
149.06056	2.3
160.01703	0.3
226.11679	0.3
230.08234	0.4
247.08551	0.6
262.11127	12.7
263.11505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99592	0.4
59.01371	2.8
69.53081	1.0
69.53501	0.8
74.02456	0.8
84.04532	0.8
87.00886	0.9
87.02720	2.2
96.96010	0.5
105.33774	0.3
109.01708	0.3
115.05833	0.4
128.03520	0.4
131.05339	1.6
133.06920	100.0
134.03726	15.3
134.07260	1.9
135.04103	0.5
147.04488	0.3
148.05293	3.7
149.06065	20.2
150.06410	0.9
176.03511	0.6
182.04630	0.6
190.05049	1.3
203.07468	1.3
207.70210	0.3
221.08510	2.7
230.08208	0.7
247.08443	1.4
262.11081	12.8
263.09271	0.4
263.11761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1447
Annotation	(-)-Pyridoxatin
Peak:m/z	Relative Intensity
51.88634	0.5
59.01375	10.0
60.70493	0.4
62.01845	0.5
69.07449	0.5
69.98810	0.5
71.58226	0.8
93.48228	0.4
95.09574	0.5
121.02966	1.1
122.97998	0.5
123.04501	0.5
130.97774	0.4
132.04533	0.6
133.02959	3.2
134.03737	7.4
135.04518	3.1
137.02484	0.9
141.37334	0.5
147.04504	0.8
148.04073	0.6
148.05307	1.4
149.06065	3.2
161.02423	2.1
161.06093	2.0
162.03183	0.8
162.05580	1.1
175.02728	2.8
176.03490	4.7
190.05043	4.0
190.09532	1.4
194.02217	0.8
204.06627	9.1
205.11034	0.8
218.08330	1.0
218.11700	0.6
246.11313	30.2
247.12102	100.0
248.12465	5.4
262.14453	73.2
263.07266	0.5
263.12540	0.5
263.14920	4.5
268.02658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
58.02691	1.7
58.02970	26.2
59.01371	2.0
69.31776	8.4
70.02973	2.9
72.04510	2.5
74.02471	32.4
74.02890	2.0
84.04550	11.1
86.02483	4.7
86.06071	1.5
92.05067	8.4
98.02466	15.2
98.19844	2.0
110.02468	4.2
115.15652	1.0
116.03539	17.7
116.05022	2.1
118.03017	2.0
118.06625	3.6
120.04536	2.3
128.03534	33.1
130.06596	5.2
131.03757	56.3
132.04556	56.5
133.04880	1.8
140.05060	3.3
144.04533	16.2
145.04973	1.0
146.06152	5.5
157.07701	28.7
158.06107	35.8
160.04034	1.9
175.08746	29.8
176.09045	1.5
179.70345	0.9
189.06667	1.7
199.08798	5.3
201.06702	6.6
201.90883	0.9
202.06935	0.9
217.09805	8.5
219.07726	30.0
220.07953	1.2
230.32022	0.9
243.07675	5.3
261.08774	100.0
262.09091	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	262.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03871	0.5
59.01381	6.0
71.01367	1.2
71.63015	0.7
71.63386	0.7
74.02469	0.6
79.95741	1.0
84.04548	1.2
96.95991	1.8
123.69936	0.5
133.06929	3.7
134.03734	75.9
135.04124	1.8
147.04466	0.6
148.05304	15.5
149.06075	100.0
150.06435	2.8
161.06079	0.5
176.03484	0.8
178.05063	0.7
190.05089	5.5
204.06430	0.5
246.07629	2.8
247.08443	3.7
256.99655	0.6
262.00403	0.8
262.03137	0.6
262.10834	12.5
263.08594	1.2
263.11200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45621	0.3
52.85132	0.4
59.01368	1.4
69.68744	1.4
69.69147	1.0
71.47394	0.3
72.99281	0.4
73.86966	0.4
89.25201	0.4
93.59681	0.4
96.96041	0.6
99.00903	0.6
109.02943	0.9
121.02931	0.8
125.09713	1.1
125.38322	0.4
126.10040	1.7
133.02946	2.9
134.03738	4.6
135.04546	2.2
135.62085	0.4
137.02441	2.3
139.03981	0.6
145.02910	0.8
146.03679	1.3
147.04437	0.4
148.05333	0.5
149.06084	0.6
159.04431	0.5
160.04088	0.5
161.02440	16.2
162.03285	3.0
163.03955	0.8
174.05562	0.6
184.04041	0.8
186.05574	0.4
187.03648	0.4
187.07584	0.8
187.09624	0.4
188.07155	7.8
188.10022	1.1
194.02126	1.1
202.05077	7.4
202.08717	4.0
212.07167	0.6
230.08203	90.4
231.08528	4.6
262.10831	100.0
263.11209	6.2
263.13898	0.5
281.99335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42033	0.4
59.01374	3.0
66.03487	0.5
71.62776	0.4
79.62878	0.4
106.98686	0.5
108.88288	0.4
109.02962	0.8
121.02928	0.7
132.04500	0.4
133.02946	2.9
133.06934	0.6
134.03720	5.6
135.04570	2.5
137.02428	2.5
139.04008	1.3
145.02930	1.1
146.03696	1.0
147.04509	0.8
148.05290	0.6
149.06038	2.0
158.06064	0.4
159.04483	0.7
160.01616	0.8
160.04012	1.1
160.53879	0.4
161.02428	18.4
161.06024	0.6
162.03238	2.5
163.03992	0.6
173.04808	0.5
174.05576	1.0
175.04007	0.6
178.80702	0.4
184.04033	0.4
184.07689	0.5
185.04579	0.5
187.07718	0.6
188.07155	7.9
189.07625	0.6
194.02174	1.3
202.05069	8.1
202.08737	3.7
203.09035	0.5
212.07239	0.8
230.08179	96.8
231.08527	5.0
232.09641	0.5
247.08536	1.2
262.10794	100.0
263.11118	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	260.0925
Annotation	Antrocinnamomin B
Peak:m/z	Relative Intensity
50.73212	0.4
57.91475	0.3
59.01355	0.7
64.79742	0.3
71.62060	0.5
76.84239	0.4
116.45036	0.4
118.02976	0.8
128.98961	0.4
131.57317	0.4
132.02176	3.1
133.02945	38.9
134.03253	0.9
136.93927	0.4
145.78795	0.4
146.02504	0.9
146.03719	1.3
147.03249	67.2
148.03578	1.8
160.04022	0.9
173.04814	3.0
175.02722	2.8
178.94984	0.9
186.05531	0.6
188.03537	1.5
189.04242	4.8
189.09187	1.8
200.07115	0.9
216.10255	8.2
217.03702	2.0
221.03326	0.6
221.84261	1.4
223.83977	0.7
232.09746	25.7
233.09984	1.3
260.09235	100.0
261.09518	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	261.0072
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
52.60538	0.5
53.95578	0.6
54.99928	0.5
58.02969	2.9
59.01387	1.2
70.50337	0.5
70.93497	1.2
70.93857	0.9
72.99302	11.8
74.02460	3.7
75.00860	1.6
78.34515	0.5
79.95730	6.8
80.96522	1.1
81.03467	1.6
84.04557	1.3
86.02483	0.6
89.09125	0.5
92.05067	0.8
92.70314	0.5
93.02838	0.9
93.03447	18.9
94.03775	0.5
96.96021	4.1
98.02489	1.9
107.05013	1.8
116.03514	2.5
116.51731	0.5
119.05016	35.6
119.59541	0.5
120.05351	0.7
121.02941	0.6
123.04481	0.7
128.03534	4.6
128.08867	0.6
131.03752	6.4
132.04533	7.6
134.03740	0.9
135.04517	24.8
136.04788	0.8
137.06088	1.0
140.05112	0.6
144.04556	1.9
157.07690	2.9
158.06099	4.6
163.03992	29.8
164.04417	0.6
175.08759	3.4
181.05048	74.7
182.05376	3.4
199.00677	14.2
201.06683	0.9
215.00168	6.0
217.09850	0.9
218.08092	0.7
219.07706	3.1
243.07722	0.8
261.00702	100.0
261.08701	13.4
262.01038	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	261.0877
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
50.23367	0.9
58.02966	8.6
59.01373	6.7
65.92734	0.8
69.70433	4.4
70.01783	0.9
70.02970	9.8
72.04540	4.2
74.02467	100.0
75.02786	0.9
80.39156	0.7
84.04541	4.8
86.02477	5.9
92.05056	2.6
96.95995	1.5
98.02464	27.5
106.46609	0.7
110.02467	1.6
114.73925	0.7
116.03529	52.3
118.03002	0.9
128.03522	13.1
130.06593	4.3
131.03754	8.8
132.04538	40.5
133.02905	1.9
133.04884	1.2
133.06889	1.5
134.03726	8.1
144.04564	12.5
146.06065	2.0
148.05263	1.4
149.06058	10.0
151.00325	2.5
152.26625	0.7
157.07693	7.3
158.06119	7.2
161.02440	1.1
166.02702	13.4
173.07156	3.9
175.08763	8.7
178.39877	0.7
181.05045	15.5
182.04556	3.7
188.06996	1.0
199.08745	3.7
201.06686	12.5
202.05106	1.1
215.08206	4.3
217.09811	2.1
219.07695	9.1
230.08234	7.6
243.07660	2.5
261.00854	4.7
261.08759	43.8
262.10959	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	259.0224
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
59.01375	1.1
62.86384	0.2
62.96390	0.3
64.08485	0.2
69.31503	1.5
70.42428	0.1
71.01366	0.8
78.95899	100.0
79.95737	0.5
80.96527	0.8
89.02439	0.3
96.96010	17.6
96.96962	57.3
101.02438	0.5
113.02452	0.4
136.94044	0.2
136.94986	0.4
138.97076	5.2
138.98058	2.6
143.03531	0.3
150.98004	0.3
168.97931	0.4
168.99248	1.0
170.99384	0.2
171.00703	0.6
172.01028	0.2
178.96040	2.4
180.99133	0.2
193.12424	0.2
196.92642	1.2
198.90555	3.9
198.99030	4.7
199.90630	0.2
214.93637	2.4
216.90598	12.1
217.90788	0.7
223.00293	0.2
234.91631	0.8
240.91582	4.1
240.93886	0.3
241.01163	2.4
241.91875	0.2
258.85098	0.3
258.87540	0.7
258.92163	8.6
259.02103	34.0
259.88635	0.2
259.92258	0.5
260.02615	0.8
276.88571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0221
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
52.31204	0.3
59.01371	4.1
67.06786	0.3
69.81950	1.6
71.01382	2.5
78.95896	75.1
79.95721	2.9
80.96516	4.4
85.02940	0.7
87.00866	0.6
89.02431	1.3
96.95996	100.0
96.96942	38.6
97.95969	0.3
101.02430	1.1
103.23896	0.3
113.02422	1.1
119.03484	0.4
136.94897	0.3
138.97061	29.5
138.98012	1.9
149.19167	0.3
168.97829	1.4
168.99223	0.6
171.00626	0.3
178.96027	1.6
196.92514	1.3
198.88805	0.6
198.90530	8.0
198.99130	17.4
199.90559	0.4
205.56117	0.3
213.05002	0.4
214.93657	3.8
216.90569	7.5
217.90630	0.5
234.91631	0.4
240.91580	7.0
241.01198	1.7
241.91664	0.6
258.84637	0.7
258.92648	13.4
259.01245	96.4
259.92581	0.9
260.01483	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	259.0222
Annotation	BETA-GALACTOSE-6-PHOSPHATE
Peak:m/z	Relative Intensity
57.03443	7.9
57.45600	2.8
59.01379	9.3
68.99854	4.0
70.95313	4.3
70.95654	5.6
71.01373	19.0
72.99321	3.1
73.02925	3.4
78.64279	3.0
78.95898	100.0
80.96478	5.2
83.01383	6.2
85.02940	6.7
87.00851	7.5
87.92554	4.2
88.98797	6.7
96.95995	98.7
96.96954	82.6
98.59283	3.7
99.00883	28.1
111.00899	18.1
112.98802	58.1
128.03529	9.2
129.01927	17.2
129.10303	5.3
130.07849	4.4
130.08733	40.0
138.97067	25.4
138.97948	4.2
144.39445	3.7
167.08315	4.1
171.15074	9.1
173.00867	14.6
191.01991	5.4
197.12971	6.2
198.99156	10.0
212.93764	3.1
215.14018	5.9
241.00983	5.4
241.11906	12.5
259.01254	96.5
259.07541	7.9
259.12921	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	259.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11236	0.7
59.01375	22.0
69.58867	5.6
70.41434	0.7
72.99305	1.1
73.02939	0.9
76.95608	0.9
83.04968	0.9
83.32440	0.8
85.02927	1.0
96.96002	5.9
104.82511	0.8
106.52007	0.7
108.02169	8.2
125.09672	0.8
125.79684	0.9
127.11305	1.8
133.02927	3.1
134.03712	4.4
135.04507	2.3
137.02380	2.2
137.09705	8.4
138.97073	1.8
139.04008	0.9
149.06021	2.2
152.01126	8.3
153.09203	0.9
155.10760	91.6
156.11096	3.7
161.02338	1.5
171.08632	0.9
171.10243	19.7
172.10547	0.9
178.02599	1.2
179.03477	1.6
181.08681	2.1
197.11885	1.0
199.09727	37.6
200.10025	1.6
215.12784	8.6
217.10771	100.0
218.11078	2.8
259.01294	3.7
259.05508	3.4
259.11804	23.7
259.55460	1.0
260.12186	1.4
264.46609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61373	0.6
59.01381	2.0
60.80782	0.5
70.03128	1.7
71.01380	2.0
73.04062	0.5
78.95904	3.1
82.02970	5.8
82.06631	0.9
84.04519	2.6
88.04050	1.4
96.95990	4.4
96.96939	2.6
100.04055	2.2
101.07226	1.3
102.05615	0.9
110.02463	0.9
112.04035	1.3
127.05139	2.7
128.03548	10.2
129.10371	0.8
130.08736	100.0
131.09105	2.6
138.97104	0.7
140.07217	0.7
141.10332	3.6
153.31201	0.5
154.12347	1.8
167.08224	1.5
168.08986	0.6
169.13516	1.1
171.15033	8.8
180.06627	0.7
180.10295	2.6
187.10808	0.9
197.12933	20.3
215.13936	2.1
241.11920	41.6
242.12256	2.1
259.01102	4.2
259.07404	2.6
259.12933	37.4
260.13260	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	260.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77998	0.5
59.01365	0.9
61.98822	1.0
70.00465	2.7
109.02997	0.7
118.94193	1.1
131.07899	0.5
132.02147	2.2
133.02951	43.8
134.03305	1.4
135.13684	0.5
136.93980	0.9
147.03253	82.2
148.03586	2.4
151.49783	0.6
157.23457	0.5
160.04045	2.2
160.05269	1.0
166.95932	0.6
170.88324	1.1
175.02721	3.6
178.95045	1.6
189.09230	1.9
198.09932	0.6
202.05067	3.3
203.05922	1.7
216.10309	3.6
221.84178	2.3
223.83987	1.2
231.05405	1.5
232.09753	29.0
233.10127	1.5
235.04758	0.8
251.34019	0.5
253.49402	0.5
259.93604	1.2
260.09250	100.0
261.09521	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	258.1456
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.57654	0.4
58.02973	4.1
59.01371	1.9
61.98825	0.5
70.02973	4.4
70.19729	0.4
70.73557	1.0
71.01381	1.4
72.00944	0.5
72.99324	0.5
73.04074	1.1
73.09161	0.4
73.59322	0.4
74.02471	13.8
78.95906	3.2
79.95737	1.0
80.96532	0.7
82.02982	4.1
83.05057	0.5
84.04543	1.4
85.04158	0.5
87.00853	0.5
87.05633	4.2
88.04041	18.0
96.00961	0.4
96.96010	7.7
96.96931	2.1
97.04082	1.3
100.04060	1.1
101.07208	5.7
102.05575	0.5
112.04023	0.6
114.09235	0.8
116.01673	0.4
122.03775	0.5
123.04458	0.5
126.09193	0.6
127.04092	0.7
127.05126	3.0
128.03534	8.1
129.10342	1.3
130.08731	100.0
131.09137	0.5
135.98357	1.4
138.97052	1.2
139.08763	1.3
140.07153	1.1
141.10332	4.9
143.11890	8.4
145.06187	0.8
152.07103	0.6
153.10313	1.8
154.12354	1.5
155.11902	2.1
155.98885	2.4
157.13432	1.1
164.07204	0.5
167.08302	0.7
167.27489	0.4
169.09821	4.8
169.13469	0.9
171.01190	0.6
171.15027	6.8
178.08739	0.5
180.10291	1.8
183.11368	2.9
186.12502	0.6
187.10762	0.6
196.14520	4.5
197.12941	15.9
198.99263	0.5
206.18398	0.4
214.15596	7.9
214.19110	0.8
215.13969	2.1
226.74734	0.5
229.08313	0.5
241.11925	22.9
258.04254	1.1
258.14554	78.3
259.01245	5.9
259.07498	1.9
259.12875	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	259.0127
Annotation	D-Glucose 6-sulfate
Peak:m/z	Relative Intensity
57.17055	1.1
59.01370	1.9
70.72848	2.7
71.01366	1.6
71.48895	1.3
78.31374	1.1
78.91854	2.1
78.95897	11.8
79.95735	4.4
80.96503	4.5
96.96004	100.0
96.96972	5.3
108.90189	79.4
110.89906	60.9
110.98504	4.0
137.90280	1.3
138.97067	23.4
164.29712	1.1
185.02153	1.7
198.99196	2.8
224.55043	1.3
241.00212	2.2
259.01251	98.6
260.01508	4.3
276.48300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	5.0
59.01364	10.2
60.06637	1.9
70.41557	7.4
71.01369	20.0
72.99283	3.5
73.02911	3.6
78.91869	3.5
78.95467	4.3
78.95900	69.9
79.95756	3.4
80.96486	5.6
82.02950	4.4
83.01366	6.4
85.02918	6.0
87.00853	7.5
87.92536	2.7
88.98786	4.6
96.95977	100.0
96.96934	64.8
99.00878	19.4
101.02411	3.5
107.35784	2.3
111.00886	16.3
112.98064	2.5
112.98811	40.3
113.02434	3.4
125.63310	2.5
128.03474	8.7
129.01930	11.7
129.10307	3.8
130.08723	48.7
138.97063	26.9
138.98035	2.9
145.01399	3.2
167.08261	4.7
171.15039	3.4
173.00916	10.9
191.01808	3.4
192.47491	2.4
197.12837	7.0
198.99133	6.9
207.71135	2.1
215.13922	3.3
241.00934	3.2
241.11858	17.2
259.01227	92.5
259.07352	7.8
259.12952	29.9
260.02191	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16632	0.5
58.02970	40.5
59.01374	1.7
60.69597	0.5
63.95118	0.5
65.16721	0.6
69.56785	4.3
69.70760	0.5
71.01394	0.8
71.26786	0.6
72.00892	0.6
74.02473	2.5
75.00862	0.6
79.95744	4.3
80.96510	0.7
82.02994	1.1
84.04542	9.0
85.02943	0.9
96.95988	3.3
98.19849	0.8
100.07689	0.8
111.00890	0.9
123.29631	0.6
126.05575	1.2
128.03511	5.2
128.10806	5.0
141.10333	1.3
154.12294	4.0
159.02994	0.7
169.13463	1.5
171.15018	22.8
197.12930	44.0
198.13193	1.4
213.16071	10.9
215.13972	40.6
216.14310	1.8
255.56206	0.7
256.99722	5.4
257.15042	100.0
257.23840	1.6
258.00122	0.8
258.15363	5.3
274.51639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06998	0.5
58.02971	47.3
59.01377	3.7
71.63245	0.6
74.02466	2.6
75.00885	0.9
75.51940	0.6
77.72165	0.6
79.95724	0.8
80.96503	1.1
82.02979	2.0
82.06624	1.3
84.04543	10.1
95.26215	0.5
96.96001	5.5
111.00879	1.2
122.06119	0.9
126.05602	1.3
127.05133	0.5
128.03523	5.8
128.10832	3.8
129.01944	0.7
130.08717	0.7
130.92261	0.6
136.07654	2.6
141.10303	1.9
153.09239	2.8
154.12332	4.5
169.13469	1.6
170.04636	1.1
171.15010	25.9
172.15404	0.9
185.16501	0.7
197.12936	64.8
198.13261	2.3
213.16057	10.2
214.10793	1.4
215.09381	1.7
215.13985	38.4
216.14320	1.2
225.82059	0.6
238.98665	1.2
239.14017	0.7
256.99728	7.7
257.15060	100.0
257.23865	2.1
258.15323	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	257.2119
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
58.12999	0.4
59.01358	0.8
63.99117	0.4
66.99229	0.4
70.72595	0.7
70.72911	0.6
75.00868	2.5
83.04987	0.8
95.44652	0.3
95.91442	0.3
95.97488	0.4
116.92844	0.4
124.98723	0.4
126.58708	0.4
128.47266	0.3
133.08807	0.3
150.80418	0.5
183.17531	1.1
200.42358	0.5
207.17487	0.7
209.19061	3.8
211.20651	62.8
212.20978	3.7
239.20120	1.2
257.21201	100.0
257.93915	5.0
258.21487	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	258.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
59.01359	2.5
67.01880	1.2
67.52808	0.8
69.91443	0.7
71.01363	1.0
71.63305	0.9
72.99290	1.1
79.95732	1.5
83.01389	1.2
83.05021	1.1
84.04537	10.7
84.08160	1.9
85.02937	9.4
85.06592	1.2
86.19182	0.8
96.96001	5.9
100.04023	2.2
102.05534	0.9
108.42482	0.8
111.00780	0.7
122.74728	0.7
128.03531	3.8
128.07169	48.0
129.05600	5.9
129.07571	1.2
130.08722	13.0
137.42857	0.8
138.97038	1.1
142.12386	8.1
152.10768	3.5
161.02409	1.1
168.10237	6.3
170.11852	30.9
196.09769	12.4
211.50096	0.9
214.10822	100.0
215.11163	4.0
219.01294	1.6
223.65215	0.9
236.62563	0.8
240.08675	3.9
257.94019	2.0
258.00031	1.8
258.09775	30.1
259.01251	3.0
259.10037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	44.6
60.86089	2.4
62.80527	2.1
64.33894	2.0
70.21809	1.9
70.84708	7.8
70.93001	2.2
73.79453	2.0
193.07051	2.7
253.21689	100.0
254.21997	7.4
274.24039	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	255.2327
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
50.35043	0.3
69.62076	2.0
73.93870	0.3
76.67972	0.3
78.76138	0.3
131.64703	0.3
131.71738	0.3
231.88345	0.3
255.23264	100.0
256.23590	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	256.1917
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
59.01370	0.4
61.98827	0.4
71.61729	0.3
72.04549	0.6
74.02469	100.0
75.00864	0.7
75.02808	0.7
77.82845	0.3
84.04550	1.1
96.96000	0.3
104.00851	0.2
116.92830	0.2
152.91710	0.4
170.88327	0.4
194.92780	0.3
195.93121	0.2
196.92426	0.4
197.90244	0.5
212.20171	4.2
219.84535	4.9
220.84464	0.4
228.04547	0.2
256.19171	49.8
256.23361	10.5
257.19482	2.7
257.23724	0.3
274.37585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0818
Annotation	5-Methoxyseselin
Peak:m/z	Relative Intensity
54.35647	0.5
56.31719	0.5
57.03441	1.6
59.01368	2.1
65.00314	2.6
75.00857	1.9
81.03451	14.7
83.01392	2.3
95.01369	0.6
107.01379	2.9
107.05006	0.7
108.10338	0.6
109.02923	0.9
121.02916	1.3
122.03727	7.6
123.88358	0.6
125.02440	7.6
131.05002	1.8
147.08153	0.9
151.00334	3.6
151.01382	0.6
153.07066	0.9
156.05780	2.8
166.02676	1.1
169.06584	2.2
171.08177	4.7
173.06062	7.6
181.58250	0.6
195.08147	2.3
198.07076	0.7
213.09203	37.3
214.09564	2.2
221.84293	0.7
239.07094	4.2
256.23590	3.4
257.08176	100.0
257.23901	3.2
257.93854	1.3
258.08472	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	251.2015
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
56.83823	0.2
59.01372	1.3
70.35481	0.6
70.35880	0.6
71.01398	0.4
77.71432	0.3
83.22787	0.3
126.50785	0.4
202.06976	0.3
233.19122	0.5
251.20146	100.0
252.20477	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	252.0511
Annotation	N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate
Peak:m/z	Relative Intensity
59.01375	18.7
60.16096	0.3
61.64114	0.4
71.01379	7.7
71.90977	0.3
76.45531	0.3
82.42529	0.3
88.04042	3.2
91.01878	1.8
93.03452	18.1
94.03827	0.6
101.02436	0.4
115.00367	14.8
118.02982	14.4
119.03311	0.4
121.02922	0.9
132.03024	3.7
135.04602	0.4
136.04031	100.0
137.02434	7.2
137.04364	2.8
146.06088	1.7
157.55811	0.3
161.04608	0.5
162.05634	0.5
164.05830	0.6
164.07150	7.3
164.08513	0.4
165.07596	0.4
190.05014	0.6
193.07130	1.4
208.06131	7.4
229.08676	0.3
234.03989	1.9
252.05090	35.7
253.05356	1.4
253.21686	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	253.0927
Annotation	2-O-(alpha-D-Glucopyranosyl)glycerol
Peak:m/z	Relative Intensity
59.01375	100.0
60.01698	1.2
60.95765	0.5
61.98815	1.3
69.99473	0.9
69.99886	1.6
71.01382	2.6
72.99316	0.9
73.02950	1.0
78.95901	1.1
89.02429	2.5
94.61582	0.5
101.02413	2.7
113.02442	0.8
117.01975	0.5
119.03525	0.8
123.01335	0.6
136.99068	0.6
151.69925	0.6
161.04619	1.3
172.29266	0.5
179.05556	0.6
193.07172	2.5
195.21774	0.5
228.40370	0.5
231.79649	0.5
253.09235	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01092	0.4
59.01373	5.9
69.91862	0.4
69.92254	0.8
71.01372	0.9
98.19984	0.4
103.94763	0.3
168.48935	0.2
175.65875	0.3
178.40578	0.3
235.20746	1.2
253.21689	100.0
254.22023	7.1
255.80516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.3
61.42889	0.2
65.89037	0.2
69.57566	1.2
69.57977	0.3
77.78942	0.2
79.49020	0.2
79.82997	0.2
80.03456	0.2
89.42247	0.2
213.88297	0.3
253.21696	100.0
254.22057	5.9
254.24701	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77277	0.3
54.22092	0.4
56.65141	0.4
58.79130	0.4
59.01372	1.8
70.49978	0.4
70.63171	1.1
71.01378	6.4
71.89754	0.3
72.00902	0.7
86.02473	0.7
87.00900	0.5
88.04034	82.6
89.04376	0.9
91.05524	2.0
96.95992	1.4
99.08179	0.5
114.01943	3.9
114.99548	0.6
115.00361	14.2
132.03015	100.0
133.03325	1.3
134.06091	1.2
135.04521	6.3
136.04831	0.4
141.04762	0.3
149.06018	0.7
162.23598	0.4
206.08217	3.0
232.06161	0.9
250.07173	22.4
250.14389	2.6
251.07451	1.0
251.09677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
59.76573	0.3
63.64370	0.2
71.62634	0.2
71.63005	0.3
71.75723	0.2
86.02480	1.1
91.05553	0.3
93.03426	0.3
96.96020	0.6
100.00417	1.0
104.99792	0.2
106.04297	0.3
107.04983	1.4
109.02933	0.3
117.03437	0.3
121.02950	0.3
123.04454	0.6
133.02945	0.4
134.03725	3.5
135.04514	100.0
136.04016	0.5
136.04871	3.7
148.05272	1.0
149.06075	0.6
159.03117	0.3
160.04021	0.8
162.05521	0.3
176.03505	0.5
178.05074	0.7
190.05025	0.3
206.08247	1.3
208.09764	3.4
232.09657	0.4
234.11243	0.3
250.10808	78.8
250.14413	2.1
251.11140	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	249.1243
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
54.05671	0.3
59.01373	5.2
61.98823	1.2
65.08654	0.3
69.95480	0.9
71.01381	1.2
73.02950	0.7
74.99116	0.4
75.00848	0.6
76.66936	0.3
79.95737	0.3
80.96497	0.3
85.02948	1.0
87.00883	1.0
89.02467	0.4
96.96021	1.3
99.00877	0.3
101.02426	1.2
103.04005	0.4
105.15641	0.3
107.05017	1.1
108.02184	0.6
109.02970	0.5
113.02438	0.6
117.03436	0.3
120.99649	1.7
121.02949	0.4
123.04479	0.7
133.02951	0.5
134.02597	0.4
134.03703	3.5
135.04514	82.8
136.03992	0.4
136.04872	2.8
137.02444	0.4
143.33223	0.3
145.03024	0.4
147.04486	0.7
148.04092	0.6
148.05301	2.9
151.03984	0.4
152.53096	0.3
160.03993	0.5
161.02556	0.6
161.04590	0.3
161.06133	1.1
163.04079	0.3
172.05273	0.4
176.03447	1.0
178.05058	1.3
190.05008	0.7
190.06505	0.6
204.04239	2.1
205.08728	0.5
207.11395	5.9
208.11757	0.3
219.06638	1.5
230.99266	0.3
234.05365	0.9
249.12410	100.0
250.12535	4.3
250.14963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1492
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
59.01371	8.2
63.34860	1.2
64.04915	1.0
69.03450	30.6
69.85918	5.8
83.05009	1.9
87.43913	1.2
95.05023	3.4
97.06572	2.2
98.19879	2.3
101.96886	1.1
107.08643	1.1
107.41225	1.1
109.06576	1.2
134.07399	1.8
149.13322	3.3
161.13367	1.4
163.35271	1.6
167.10753	4.0
187.14992	2.5
193.12300	6.4
204.04143	1.6
205.12276	10.1
205.15944	10.5
219.06686	1.9
221.15434	14.6
231.13864	32.6
232.14229	1.8
241.41479	1.4
249.14919	100.0
250.15128	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	249.1857
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01374	8.9
61.98824	2.8
71.01368	1.2
71.62835	1.4
73.02953	1.3
76.13049	0.9
79.95743	1.4
85.91450	1.0
98.75280	1.0
118.87823	0.9
161.02411	2.4
184.50296	1.5
204.04347	5.7
205.01419	1.5
205.15950	13.4
205.19608	1.1
219.06612	3.3
248.58049	3.7
248.97284	3.5
249.07832	3.0
249.14926	24.7
249.18568	100.0
250.14484	40.0
250.18553	5.0
269.61542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0716
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
56.67475	0.5
59.01366	1.5
69.29962	4.0
69.30363	0.7
70.39621	0.6
71.01376	6.1
72.00945	0.5
76.66423	0.5
88.04033	79.6
89.04366	1.3
91.05521	3.2
96.96053	0.5
104.81565	0.5
114.01956	4.9
115.00362	14.5
132.03012	100.0
133.03329	1.4
134.06055	0.7
135.04503	5.4
206.08116	2.6
232.06194	0.8
238.75134	0.5
250.07166	25.4
250.14421	1.3
251.07780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1243
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
59.01369	2.4
69.47038	2.2
71.01373	0.4
71.03428	0.3
71.48525	0.3
74.99102	0.4
79.95755	0.4
85.02959	0.8
89.02421	0.4
91.05526	0.3
93.03472	0.4
96.96011	1.0
101.02484	0.4
102.26715	0.2
107.05051	1.0
109.02964	0.4
110.06044	0.3
116.08322	0.3
117.03484	0.4
120.99654	0.4
121.02945	0.5
123.04511	0.9
133.02966	0.6
134.02612	0.6
134.03741	2.0
135.04517	80.4
136.04851	2.5
144.04507	0.5
147.04532	0.5
148.04181	0.5
148.05302	2.3
160.04019	0.7
161.02524	0.4
161.06114	0.5
169.05042	0.6
172.05328	0.4
176.03543	1.2
177.07542	0.3
178.05054	1.3
190.05049	0.8
204.04239	1.5
205.08720	0.3
207.11371	5.7
208.11781	0.3
219.06590	0.7
234.05318	0.3
249.12418	100.0
250.12663	4.5
257.15729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
71.01386	0.5
71.07850	0.6
79.95723	2.3
96.96004	100.0
134.03738	0.4
135.04515	38.3
137.09666	0.4
144.26558	0.3
148.05313	0.3
175.02611	0.4
247.06372	12.0
248.06752	0.5
248.09239	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.01375	0.5
62.60191	0.1
65.97717	0.1
68.99565	0.1
71.01379	0.5
71.62437	0.2
75.94025	0.1
79.95729	0.1
89.02443	0.2
90.97122	0.2
99.64519	0.1
103.04005	0.3
105.20634	0.1
121.02957	0.3
132.98196	0.3
165.01968	0.2
174.99236	0.5
179.07130	0.2
184.00157	1.3
186.95584	0.9
200.50014	0.1
205.15953	0.4
220.17004	0.8
231.13925	0.5
232.03914	0.1
232.14720	0.1
247.16995	100.0
248.07899	1.3
248.17328	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	248.0927
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
57.03471	0.5
57.99378	0.4
59.01364	4.4
69.03449	1.0
71.01380	0.8
71.62211	0.7
72.99336	0.5
74.99089	0.5
75.09493	0.4
79.95731	1.3
85.02961	1.4
87.00867	1.2
96.96008	12.7
97.02931	0.8
97.06583	1.9
99.00843	0.5
108.02142	0.5
118.06607	0.5
119.05276	1.0
121.02962	0.5
123.04510	0.9
126.05634	0.5
129.01935	1.0
133.02887	0.6
134.03738	0.9
135.04521	14.8
141.01872	0.6
148.01653	20.0
149.02051	0.7
152.03128	5.3
152.04768	1.1
153.05110	1.8
160.04019	0.6
161.06200	0.9
168.03020	2.1
168.07506	2.4
175.02724	76.5
176.03128	4.0
176.07137	1.4
186.04422	0.7
188.21619	0.4
204.04425	0.7
204.06631	1.4
204.10284	0.7
219.06557	1.0
225.11293	0.9
230.05045	0.6
234.10075	2.0
245.04852	2.0
247.10902	1.2
248.03125	1.9
248.09236	100.0
249.02290	0.8
249.09572	4.6
249.12428	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	248.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39228	0.2
59.01375	0.5
71.62310	0.2
82.71179	0.2
85.02935	0.2
96.36285	0.2
96.96011	2.3
107.05044	0.5
119.04156	0.2
119.05008	0.3
119.23607	0.2
122.06056	0.2
134.03729	1.6
135.04512	100.0
136.03978	0.3
136.04851	2.5
142.81271	0.2
148.05255	0.2
175.02763	0.3
204.04297	0.3
238.51198	0.2
248.09242	12.2
249.09515	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0928
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
53.22551	0.5
58.02972	9.9
70.02972	10.6
70.63047	1.8
72.00901	1.7
72.04530	1.8
74.02469	49.3
98.02470	11.7
116.03528	24.1
116.05044	14.2
130.06615	1.4
142.06612	3.2
152.29283	0.6
159.09291	2.2
180.23201	0.5
180.61087	0.6
183.09219	1.8
186.05614	1.6
201.10320	7.4
203.08246	67.6
204.08510	3.1
234.26239	0.6
245.09280	100.0
246.09612	6.7
247.85915	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82052	0.9
51.38642	0.9
54.27189	1.0
58.02690	1.7
58.02972	22.8
65.95740	0.9
67.67146	0.9
68.10060	0.9
70.02976	17.3
72.00908	4.5
72.04173	0.8
72.04533	5.5
74.02469	94.5
81.82826	1.0
82.60554	1.0
98.02469	23.6
98.19845	2.1
116.03549	31.2
116.05053	33.5
117.05450	1.0
130.06644	4.8
137.75723	1.0
142.06630	7.5
143.06929	1.1
159.09288	6.4
167.80943	1.0
183.09229	1.6
186.05612	1.2
201.10271	9.0
203.08246	90.3
204.08614	3.4
245.09288	100.0
246.09705	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	245.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	1.1
59.01374	38.4
61.98831	0.4
69.59278	2.2
69.59684	0.7
70.02966	0.5
73.00697	0.4
74.02467	3.9
78.95906	0.7
86.89654	0.6
98.02477	0.7
116.03522	1.5
116.05034	1.5
117.03449	0.7
125.91422	0.4
127.11269	3.7
138.80319	0.4
139.11259	1.6
152.99615	0.7
155.10757	1.9
157.12323	18.4
158.12674	0.7
165.05534	1.3
185.02393	0.6
185.11798	16.4
186.12148	0.8
190.63846	0.4
199.16985	0.5
203.08273	3.3
203.12856	100.0
204.13197	4.1
245.01183	0.5
245.04366	1.2
245.09367	3.5
245.13881	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	246.0074
Annotation	2-hydroxyacetaminophen sulfate
Peak:m/z	Relative Intensity
53.36645	0.1
59.01390	0.3
63.83578	0.2
71.01401	0.4
71.62708	0.2
79.95729	2.7
80.96532	0.6
83.01402	0.2
91.54617	0.1
92.91945	0.2
95.95251	0.7
96.96006	2.7
111.00867	0.5
129.01936	0.3
136.05284	6.6
137.05612	0.2
138.96996	0.2
146.82516	0.1
155.49118	0.1
166.05081	100.0
167.05426	2.6
167.06775	0.3
186.95592	0.2
235.17033	1.5
236.17383	0.2
238.98625	0.6
239.99194	0.2
243.88205	0.2
246.00739	9.7
246.08327	4.0
246.58485	0.6
247.01189	0.2
251.16490	0.4
256.99747	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	246.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48119	0.3
59.01387	0.5
62.97942	0.2
71.01394	0.3
71.62601	0.3
71.63046	0.4
79.95741	1.1
82.11666	0.3
89.25822	0.2
93.03440	0.3
95.95204	0.3
96.96009	0.9
120.43942	0.4
121.02959	1.5
131.47661	0.2
136.05272	2.4
151.02725	5.3
166.05080	100.0
167.05444	2.4
173.59700	0.2
175.04047	0.4
183.01724	1.0
211.79561	0.3
217.37001	0.3
218.05814	0.5
221.85413	0.3
227.98482	0.3
235.17082	0.4
246.00745	10.5
246.03337	0.6
246.08305	1.1
247.00961	0.6
247.09734	0.7
256.99561	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1301
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
58.02972	7.9
61.98823	2.2
69.69002	0.6
70.02986	1.7
70.53029	2.2
71.01382	1.0
71.02509	0.6
73.04071	2.7
74.02471	12.9
78.95901	1.9
79.95743	3.0
80.96510	1.3
82.02994	1.9
82.06611	0.9
84.04549	0.8
86.40975	0.6
87.05639	1.0
88.04041	2.0
98.02470	20.2
109.01688	1.7
112.07694	1.2
113.03568	27.6
114.03849	0.9
118.95828	0.6
120.04487	0.6
126.04359	1.0
128.07176	0.9
129.10327	1.7
130.08733	100.0
131.09058	1.7
132.27841	0.6
136.07690	0.8
138.09207	0.7
139.08707	0.7
140.07179	3.9
141.10335	14.7
143.11880	6.9
144.44194	0.6
152.99632	1.1
156.04900	1.9
156.10243	1.3
157.05342	0.6
164.07147	19.3
165.07530	1.0
165.10333	3.2
166.08681	1.3
169.09859	3.9
182.12997	2.8
183.11382	9.3
187.10864	0.6
200.14076	4.3
210.07698	6.5
227.10379	24.7
244.02861	5.5
244.13000	56.3
245.04251	1.4
245.11246	1.2
245.13397	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	245.043
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01379	13.1
70.67611	3.4
70.67949	1.6
71.01373	3.1
72.99294	4.5
78.95897	100.0
89.02419	9.6
90.50656	1.9
92.92791	6.6
94.92499	20.2
94.98074	2.3
96.92226	2.1
96.96003	2.3
96.96946	14.7
101.02433	16.7
108.90184	34.3
110.98560	4.9
113.02425	2.0
117.00462	2.3
119.03478	18.5
120.65573	1.5
138.92064	10.7
139.23956	1.7
140.91811	14.3
152.99570	63.5
155.16623	2.1
168.93156	5.8
170.90356	2.1
170.92812	10.7
170.96910	3.7
171.00612	37.4
172.98361	1.9
176.98035	1.5
209.06657	4.6
214.99123	1.6
244.86282	1.6
245.04309	84.1
246.04823	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	243.1963
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
50.32673	0.8
56.31265	1.0
59.01374	100.0
61.98525	0.9
61.98823	12.7
62.47701	0.9
62.97472	0.8
66.17786	1.0
69.36209	5.5
69.36636	2.9
89.02387	1.2
98.19891	2.2
99.00889	1.1
104.59019	0.9
110.02479	1.7
111.00858	1.1
112.00141	1.1
125.49830	0.9
128.41777	0.9
164.90866	1.0
173.02222	1.1
175.73878	1.2
203.98901	1.3
225.11264	1.1
243.06334	1.1
243.12346	1.7
243.19611	55.5
244.19939	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	244.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87886	0.6
61.98826	100.0
63.92680	0.8
63.99241	0.9
66.52827	0.7
66.68860	0.7
70.65009	1.3
70.65348	0.8
80.96042	0.7
99.92616	1.3
108.80588	0.7
114.94962	1.1
116.92865	5.5
158.93890	5.5
159.94017	0.8
180.34207	0.8
244.02499	1.3
252.82437	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1233
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
59.01352	1.1
61.98805	1.4
71.05005	2.1
71.63277	1.0
72.71677	0.6
90.89140	0.7
96.95941	0.5
97.02930	2.8
97.06570	0.7
98.95584	0.6
99.00869	16.3
110.02438	0.8
110.03705	0.8
123.08161	0.9
125.09722	3.8
127.03938	0.6
136.05247	0.8
137.02446	0.5
142.02664	0.9
155.14395	1.0
156.08470	0.6
157.02968	0.8
157.16684	0.5
163.11282	4.7
166.37395	0.6
171.10204	0.7
181.12303	13.6
182.12659	0.9
197.11845	0.9
199.13370	14.7
200.05412	0.7
207.10234	29.2
208.10587	1.4
225.00372	1.2
225.11287	53.0
226.11607	2.0
229.07387	1.1
242.99677	0.8
243.12329	100.0
244.09979	1.1
244.12679	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1963
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
52.35767	0.3
55.01881	0.5
61.98818	1.7
70.03227	1.1
71.72357	0.4
80.05170	0.3
84.02184	0.4
88.23164	0.3
110.02583	0.4
136.67824	0.4
143.25523	0.4
154.28606	0.4
169.15999	0.7
193.15909	0.9
195.17509	4.1
197.19087	66.0
198.19414	3.5
225.18564	1.4
241.18152	0.6
243.19617	100.0
244.19916	5.9
247.38654	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98827	5.8
71.23726	0.4
71.57768	0.5
71.58118	0.5
82.06603	1.6
83.04987	0.9
85.06557	0.6
89.02376	0.5
100.07686	1.0
101.06103	0.9
112.67770	0.5
135.20863	0.4
149.99658	0.5
154.12434	0.6
170.15474	12.8
171.15880	0.6
182.07436	0.8
198.14966	100.0
199.15306	4.5
207.49814	0.5
225.14952	0.8
228.04414	0.7
237.39696	0.4
242.08304	0.8
242.13927	5.8
242.17569	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	243.062
Annotation	Uridine
Peak:m/z	Relative Intensity
59.01387	0.9
65.54040	0.6
66.03481	14.5
68.01402	2.6
70.93556	1.2
71.01377	1.9
78.23897	0.6
81.02170	0.9
81.02637	0.6
82.02979	29.8
83.01388	1.1
84.04597	0.7
94.02992	3.9
96.04562	1.3
99.00858	1.3
108.04544	2.3
109.04008	0.6
110.02470	100.0
111.02002	7.1
111.02812	2.0
112.98795	2.2
114.05614	0.6
117.01942	1.4
120.04540	0.8
122.02469	7.8
124.04094	3.0
128.03523	0.6
132.02980	1.1
138.02000	0.6
140.03528	10.6
142.99858	1.2
152.03517	19.6
153.03020	9.7
154.05206	0.6
164.03506	0.8
172.26341	0.6
173.00902	1.7
182.04601	1.0
200.05624	43.0
201.05920	1.3
205.03552	1.0
208.87634	0.6
226.11958	0.8
243.06189	36.1
244.06505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10772	2.6
59.01371	24.3
61.57306	2.0
61.98828	100.0
66.03474	7.3
66.97066	2.2
70.02991	5.0
70.77479	3.7
70.77798	4.0
71.01398	11.8
72.99307	4.2
74.02462	3.7
77.67648	2.4
77.68150	2.8
78.95459	4.5
78.95897	71.6
79.95709	3.5
81.04562	2.4
82.02981	27.1
83.01378	3.5
85.02957	3.3
86.02553	2.1
87.00876	14.6
87.23651	2.1
88.04031	3.8
89.56162	2.5
92.92785	5.1
94.03001	2.1
96.00903	13.6
96.96009	20.7
96.96938	6.4
98.02490	3.2
99.00864	4.6
101.02427	3.9
107.02534	2.6
109.04116	15.5
110.02474	77.7
111.00871	4.0
111.02003	6.4
112.07664	2.7
112.98782	10.2
113.03579	4.1
113.99136	3.8
114.01962	8.8
114.05579	9.4
115.00352	6.5
122.02432	6.7
124.04026	3.9
127.05135	37.4
128.03510	11.4
129.01945	3.4
138.92097	3.8
140.03528	12.3
142.99860	4.3
144.00182	2.3
145.01372	3.2
145.06157	2.4
152.03534	10.9
152.99571	7.3
153.03047	30.0
168.03162	28.2
168.04337	13.1
168.93175	2.9
173.00868	5.3
174.01173	3.2
199.07309	3.8
200.05634	37.1
203.33839	2.2
205.03575	4.7
206.03835	2.3
206.78261	2.5
221.98828	2.1
224.06673	5.2
224.10492	2.2
242.00844	3.1
242.08037	52.5
242.11308	8.5
242.14998	2.7
243.01694	10.1
243.06166	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.4
66.92119	0.7
70.02982	4.4
71.17170	0.7
71.17517	0.7
76.80206	0.5
82.02979	24.9
82.06616	1.3
84.00912	0.7
84.04542	3.3
87.44885	0.7
100.66595	0.7
103.27317	0.8
109.04139	0.7
110.02454	1.7
111.03253	1.5
112.04041	7.6
114.09239	1.4
126.09236	1.3
127.05145	4.7
130.08742	9.3
141.10336	19.2
154.12338	1.0
167.11906	1.2
168.08975	1.6
169.09802	1.9
169.13448	2.5
197.12935	75.4
198.13268	3.0
228.50546	0.7
241.11916	100.0
242.12227	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	241.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	1.8
58.12684	0.6
70.02959	4.8
71.21329	1.0
73.47400	0.5
74.43069	0.6
82.02975	27.5
84.00930	0.9
84.04560	3.1
96.95998	2.9
98.02473	0.9
110.02483	0.6
111.03258	1.9
112.03319	0.7
112.04051	7.7
114.09257	1.6
126.09258	2.8
127.05113	2.2
130.08713	6.9
141.10335	19.3
142.10651	0.6
154.12405	1.5
167.11859	0.7
168.09013	1.2
168.21967	0.6
169.09824	1.4
169.13441	1.8
179.11839	0.6
181.80531	0.6
197.12929	80.2
198.13249	3.1
241.00198	5.9
241.11911	100.0
242.12222	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	241.2172
Annotation	Pentadecylic acid
Peak:m/z	Relative Intensity
55.56106	0.2
58.76017	0.2
61.98819	0.8
70.66811	0.2
70.76786	0.6
70.77129	0.3
73.19844	0.2
101.02445	0.3
142.38892	0.3
222.98843	0.3
241.21713	100.0
242.22052	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	241.1078
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.04485	0.9
57.03455	4.9
59.01374	100.0
61.98802	1.1
63.13945	0.9
71.05021	1.1
71.62894	1.3
83.05030	1.1
87.00912	1.2
96.95992	5.8
99.04521	2.8
101.02431	3.0
106.82636	0.9
119.08684	4.8
121.22090	0.9
137.09708	7.6
161.09718	1.0
163.07620	1.8
179.10754	4.9
181.07216	1.8
181.08675	18.0
197.11809	54.8
198.12111	2.2
200.96159	1.0
212.44313	1.0
222.98862	1.0
223.09566	1.6
237.93997	1.1
241.00183	9.7
241.07239	1.2
241.08026	1.0
241.10757	19.2
241.14462	3.1
241.21719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94132	0.4
59.01374	5.7
64.73950	0.5
69.61640	2.0
69.62064	1.5
70.38704	0.5
76.66184	0.5
81.03483	0.8
83.05037	0.5
86.12795	0.5
95.05062	0.7
96.95982	0.5
97.06593	2.7
123.08193	0.7
123.31586	0.5
135.11841	0.7
151.11298	0.8
153.12852	3.3
178.18181	0.6
179.10750	3.5
195.10239	2.6
197.11816	100.0
198.12160	4.9
229.96936	0.6
241.00140	0.8
241.10776	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	241.108
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
59.01376	20.4
60.99321	0.6
66.61243	0.5
69.03447	0.8
71.01419	0.6
71.63004	0.9
72.99316	1.4
73.02974	0.6
79.95756	0.9
96.96004	7.5
97.06599	0.8
97.60651	0.5
101.02423	1.4
107.08662	4.2
112.03192	0.5
116.05061	1.2
117.05406	2.4
119.56094	0.5
135.11789	0.6
139.00278	0.7
141.60667	0.6
151.11298	1.5
153.12863	1.4
161.04373	2.2
161.05991	1.1
179.10756	8.8
180.11241	0.6
181.07248	1.2
181.08606	4.4
195.10219	3.6
197.11804	100.0
198.12152	5.1
199.09723	25.1
200.10115	0.9
223.09721	0.7
241.00072	11.0
241.10773	29.5
241.14569	1.3
241.21629	1.3
242.11102	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	241.1078
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
55.01871	0.6
57.03440	1.2
59.01387	0.7
61.98835	0.7
62.85493	0.5
66.31894	0.5
68.03880	0.5
68.99815	0.7
69.03449	3.4
70.53735	0.6
70.76293	1.3
71.01381	1.1
71.05016	4.8
71.65472	0.6
75.90829	0.6
79.95737	1.4
83.05051	1.3
95.04974	0.7
96.96014	3.4
97.06582	0.9
97.08473	0.6
99.00867	0.7
101.02439	1.7
125.09715	2.4
130.69098	0.6
137.09724	0.7
137.14912	0.6
151.11259	0.9
153.12848	3.4
161.09718	1.1
179.10770	5.7
181.07129	2.8
197.06081	3.2
197.11810	100.0
198.12166	4.4
221.89073	0.8
222.98880	0.6
223.09680	3.5
239.87228	0.5
241.00082	5.0
241.05241	1.9
241.10788	88.5
241.21811	1.2
242.11154	4.5
244.69354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2014
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
53.83511	0.4
59.01376	6.2
62.15919	0.4
71.01372	0.7
71.07968	0.8
71.44810	0.4
87.00845	0.6
115.36549	0.5
118.57150	0.5
125.47309	0.4
154.90347	0.5
179.05626	2.2
221.19130	1.2
239.20139	100.0
240.20471	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	239.2015
Annotation	cis-10-Pentadecenoic acid
Peak:m/z	Relative Intensity
59.01371	8.0
65.80066	0.5
71.01379	1.0
71.39294	1.0
83.05006	0.6
87.00852	1.3
104.14104	0.6
161.04483	0.9
168.23911	0.5
179.05573	4.8
188.84654	0.5
191.18332	0.5
198.45509	0.4
221.19130	0.7
239.06674	0.8
239.20146	100.0
240.20496	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01379	6.8
60.50090	0.8
61.98837	5.2
63.24174	0.9
68.99834	1.2
70.67482	1.1
70.67810	1.6
71.01379	4.1
78.95905	3.8
79.95722	6.3
80.93221	1.0
80.96516	4.8
82.02980	2.5
83.01363	2.0
85.02956	1.1
87.00857	1.1
89.02423	1.3
91.01846	0.8
95.05018	1.0
96.96003	100.0
101.02420	5.5
104.08398	1.0
113.02428	1.1
125.02595	1.1
125.03557	5.0
127.05110	1.2
130.08731	1.7
138.97089	9.8
139.00343	1.8
141.10297	1.5
150.97066	1.7
151.01651	1.0
151.04066	1.1
151.05141	10.0
153.01323	1.0
155.95990	0.8
180.98212	1.2
181.07219	4.8
193.04979	1.7
197.04588	1.8
197.12996	6.4
198.07634	1.3
222.99202	2.6
241.00211	80.1
241.08299	55.0
241.11937	7.4
241.14215	1.6
241.18080	1.1
241.21735	2.4
242.00624	4.2
242.08481	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	237.08
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98034	1.3
60.97526	1.1
63.96235	6.4
69.84362	1.7
69.84777	1.5
72.99298	5.8
73.98311	5.1
74.99093	100.0
75.99422	0.9
78.11952	0.7
87.00853	3.0
89.13797	0.5
91.36603	0.5
95.95168	0.5
98.20615	0.6
101.04295	12.5
117.97293	4.2
118.98074	0.6
128.02985	0.6
131.05363	1.1
135.98341	11.1
136.99136	73.0
143.33356	0.5
149.06403	8.4
172.25395	0.5
194.35364	0.5
219.06938	1.4
237.08005	16.5
239.99779	0.6
254.32483	0.6
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
51.36575	1.5
55.10255	1.8
59.01098	2.6
59.01377	39.6
61.98805	2.1
69.03456	11.5
70.15391	3.1
70.15797	5.1
71.01348	2.6
73.02923	2.2
75.00876	1.8
78.95872	1.9
85.02960	2.1
87.00852	1.9
96.95990	5.1
97.06586	40.9
101.02472	1.7
116.92842	2.0
121.10199	5.7
122.03693	4.0
123.08158	40.8
129.01935	2.2
137.02383	2.9
139.07660	8.6
147.11787	6.1
154.90686	1.9
163.11292	2.3
167.07156	6.9
175.14883	6.5
179.10733	10.1
193.15918	4.3
219.13869	5.4
237.01952	2.5
237.14929	100.0
238.15279	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	239.0923
Annotation	CMPF
Peak:m/z	Relative Intensity
50.98861	0.5
54.60010	0.5
59.01374	100.0
60.01711	0.8
69.87914	3.3
79.39223	0.6
80.54332	0.5
81.03461	2.4
83.05020	0.6
85.02942	0.8
87.00852	0.7
95.05009	2.1
97.06590	3.5
98.19808	0.6
109.06580	2.4
116.29450	0.6
133.10248	0.9
135.08159	3.5
141.05569	9.9
151.11256	2.7
161.04562	1.5
177.09236	3.4
179.05582	4.6
179.07047	1.2
188.00557	0.5
191.30284	0.6
195.10236	41.5
196.10500	2.0
221.08131	1.7
239.09218	35.7
240.09525	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	236.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
59.65789	0.1
61.98830	0.3
69.82706	0.7
73.02918	0.2
87.70518	0.1
90.11774	0.1
96.95990	0.3
98.19987	0.3
101.02406	0.2
115.54369	0.1
116.92848	0.3
134.03743	0.5
135.04530	0.3
136.05289	0.5
148.05293	7.0
149.05890	0.5
149.09689	0.9
151.07713	0.1
162.06877	0.3
164.08383	0.1
169.98708	0.1
175.07632	0.3
176.08435	0.4
177.09189	36.8
178.09546	2.1
178.95042	0.2
179.10753	0.2
180.07991	0.2
189.09186	0.1
190.09952	1.6
191.07123	0.2
191.10741	0.7
192.11543	29.0
193.11909	1.7
201.09154	0.6
203.07153	0.6
217.08659	3.1
218.09454	7.6
219.09866	0.5
236.10512	100.0
237.10889	6.2
237.14784	0.3
246.70592	0.1
258.59573	0.1
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
50.25342	2.2
51.77060	1.8
55.96462	1.8
59.01364	2.3
68.91907	1.9
70.93880	4.4
71.01385	6.3
72.99300	3.9
73.50418	2.3
75.00856	5.7
78.95899	3.9
80.99872	2.3
85.02953	8.0
87.00874	100.0
117.73015	1.8
117.93533	1.9
129.01956	20.3
143.55409	2.5
147.03008	2.9
206.69011	2.2
237.06210	11.8
246.84923	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	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76606	0.2
59.01375	14.6
59.96726	0.4
60.97503	0.4
67.01887	0.7
71.01409	0.2
74.42629	0.2
74.99060	6.0
75.00858	0.3
75.96238	0.3
75.99028	0.2
91.02205	0.8
93.00123	2.0
93.03453	3.0
96.96020	0.5
111.04517	0.4
118.96222	1.2
134.99393	6.8
136.97292	1.6
141.07423	0.4
143.05325	1.0
149.00943	66.9
150.00894	2.2
150.98831	0.6
159.08458	2.3
161.06378	3.3
172.88005	0.5
173.04533	3.8
189.22177	0.2
190.98778	0.4
201.04124	0.5
215.05634	1.2
215.09349	0.2
217.07182	94.0
218.07303	5.5
232.21840	0.2
233.10312	100.0
234.10455	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	235.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70634	0.3
51.76739	0.3
52.60574	0.3
59.01369	1.7
69.14122	0.3
70.76791	0.7
70.77118	0.6
87.00808	0.4
96.96021	0.6
103.87769	0.3
120.99644	100.0
121.99974	1.0
147.04849	4.2
191.07169	0.5
235.06369	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	235.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92629	2.6
55.75027	2.8
57.03448	4.2
59.01374	36.4
60.97515	18.9
63.96238	77.2
71.01379	4.2
73.02927	4.5
76.97027	67.0
79.95731	100.0
80.96526	29.2
82.75068	3.3
85.02949	6.3
93.47057	2.7
96.83145	2.8
96.95992	10.2
106.98051	11.9
120.99644	5.8
124.00745	3.7
137.09741	15.6
147.04474	4.7
147.08105	3.6
148.03600	3.4
150.05472	3.7
155.81009	2.8
163.11282	48.7
170.11766	3.3
175.03949	4.7
175.11264	4.0
176.04749	8.0
191.07133	15.3
191.11078	28.1
201.09218	6.6
205.12350	3.3
217.12323	32.3
220.03702	4.9
235.06227	19.8
235.10002	10.8
235.13345	37.1
236.09586	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25166	0.7
59.99932	0.6
61.98811	0.7
66.00276	0.6
68.40854	0.6
69.35791	4.0
69.36211	1.9
71.01376	15.1
74.23777	0.6
79.49834	0.7
86.44328	0.7
93.03477	0.7
94.63584	0.7
96.95997	1.1
100.92223	0.6
112.09951	0.8
115.00358	27.3
117.17597	0.7
119.05011	1.1
120.04544	100.0
121.02949	25.3
121.04893	3.0
133.02899	1.2
139.43790	0.7
139.58223	0.7
145.60622	0.7
146.06113	1.1
147.04495	2.1
148.07669	10.3
164.07170	3.2
174.05582	15.1
192.06645	38.7
193.07013	1.0
218.04547	5.4
236.05608	59.6
237.05898	2.7
238.31543	0.6
245.48189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83498	0.4
56.96719	0.4
59.01376	34.0
67.01897	1.3
70.36411	1.5
71.01381	1.0
71.05003	0.8
77.09469	0.4
78.72264	0.4
79.12309	0.3
79.27271	0.4
79.95733	13.1
80.96520	4.1
82.34863	0.4
93.03458	6.2
95.05043	0.5
96.96003	4.3
97.25025	0.4
111.04520	0.8
113.02452	0.5
119.05021	6.9
122.03734	0.4
123.04516	80.2
124.04823	2.3
135.04491	0.5
135.05585	0.7
153.05563	100.0
154.05919	3.4
171.10263	1.0
173.04521	7.8
173.08179	1.5
190.06277	2.2
197.08200	0.5
215.09233	1.5
233.01231	70.1
233.06709	15.4
233.10294	5.1
233.12926	4.8
233.15443	10.1
234.01529	2.4
234.07362	0.6
241.97357	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99617	1.4
54.89743	1.4
57.03440	10.3
59.01376	100.0
67.01881	5.2
68.05040	1.5
68.99805	3.8
70.26414	2.4
71.00989	2.1
71.01381	42.0
71.05007	2.2
72.99284	2.1
73.02955	7.2
75.00841	1.7
78.95459	3.0
78.95899	48.2
83.01387	10.6
85.02957	11.3
87.00858	3.8
87.92524	15.5
88.04049	2.3
88.92580	4.9
93.03475	7.2
96.95997	92.9
96.96950	77.6
97.02914	1.5
98.19918	1.7
99.00881	15.2
101.02442	3.6
103.92012	5.2
105.93609	2.1
109.02943	2.6
111.00878	20.9
111.04498	2.4
112.98743	1.5
115.00347	2.9
116.07174	6.6
118.19061	1.5
123.04501	2.8
123.08464	1.4
123.94588	2.2
129.01935	28.4
129.02893	1.2
129.74712	1.7
140.90804	1.4
153.01857	2.0
153.05550	6.2
160.89253	22.0
160.91808	2.8
161.89442	8.3
171.10283	1.7
173.00938	3.8
173.04527	8.5
190.08775	3.0
214.89320	1.6
215.09087	2.5
232.98933	2.6
233.01125	3.9
233.08032	3.1
233.10155	7.7
233.15463	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	233.03
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.5
59.01374	100.0
60.99311	1.6
67.01891	5.7
68.99800	2.6
69.03452	1.4
69.93662	3.1
69.94050	2.5
71.01373	36.3
71.05013	2.1
72.99307	1.9
73.02940	7.5
73.04026	1.2
74.02468	1.9
75.74973	1.2
78.95905	11.2
79.95732	5.8
80.96503	3.1
83.01376	8.8
85.02937	8.2
87.00861	3.1
87.92529	13.9
88.92568	6.1
93.03451	9.5
94.03778	1.1
96.96009	10.0
96.96953	15.6
99.00874	14.2
99.04539	1.1
101.02441	3.4
103.92012	5.2
104.03523	3.4
105.03768	1.7
105.93594	1.7
111.00872	15.6
111.04503	1.5
113.02453	1.6
115.00336	2.6
116.07162	11.0
123.04514	40.4
128.03513	1.8
129.01929	20.7
129.05641	1.3
135.04483	2.2
153.05560	42.5
153.09189	1.5
154.05925	1.5
160.91771	1.7
171.10295	1.7
173.00911	2.9
173.04524	15.3
173.08086	1.5
178.31065	1.2
190.08694	4.3
196.05949	1.3
197.06609	1.4
215.09145	2.4
216.06705	3.2
233.01181	35.4
233.08035	2.4
233.10196	11.5
233.15411	16.3
234.01642	3.6
234.03947	2.1
234.07623	3.4
234.09903	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	231.9919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13275	0.2
58.46738	0.1
59.01088	0.3
59.01374	4.2
67.01892	0.2
71.62579	0.2
87.92514	0.3
90.95158	0.2
93.03455	0.9
111.04505	0.3
122.03730	6.5
152.03522	100.0
153.03877	2.3
173.04552	1.0
231.99197	9.3
232.09929	0.2
232.99326	0.3
233.15466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09996	0.3
59.01375	24.5
67.01882	0.6
69.42642	0.7
69.43048	1.8
69.56951	0.3
71.01373	6.1
85.06581	19.8
86.06895	0.6
87.92531	2.7
88.04035	100.0
89.04375	1.0
93.03458	4.4
96.95998	1.0
97.06583	0.4
98.19907	0.5
103.92029	0.7
108.04482	0.3
111.04513	0.7
113.06072	4.0
116.03492	0.5
119.04988	0.9
123.94658	0.8
124.04086	0.4
130.08719	1.7
134.04771	0.3
135.99936	0.4
143.07153	0.4
144.04576	0.4
160.04056	0.4
160.09779	21.3
161.06070	0.4
173.04526	5.1
173.08241	0.6
181.63251	0.3
188.03371	0.5
193.05029	0.3
210.04700	0.3
215.09178	0.6
232.02838	0.3
232.05988	0.7
232.11868	19.8
233.06511	0.5
233.10196	1.1
233.12558	0.8
233.15424	5.2
253.03831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1347
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
58.02964	3.8
59.01379	5.8
67.68627	0.6
69.66135	3.9
72.00897	2.1
72.24416	0.7
74.02470	29.8
78.95911	1.4
79.95726	1.1
81.34805	0.7
82.06611	2.4
85.04065	2.3
87.00885	1.0
87.92525	9.0
88.04051	1.2
96.96953	1.9
98.19868	1.3
101.07204	4.1
103.92069	1.6
105.93593	1.3
112.07687	1.2
116.07162	4.3
123.94664	1.0
124.03189	0.7
126.09230	7.1
130.08730	3.1
135.04460	0.7
139.08766	4.9
141.10359	4.8
143.11893	29.1
143.13022	1.5
144.12209	1.2
152.07179	2.9
169.09801	13.1
169.13443	2.1
175.72902	0.6
187.07376	3.2
187.10866	100.0
187.90508	0.7
188.11221	3.7
189.37688	0.7
196.06157	1.0
213.08771	0.7
231.09760	2.3
231.13475	28.0
231.97704	1.5
232.02840	6.1
232.13773	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	231.8945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33625	0.3
57.03461	0.3
59.01384	2.1
68.13745	0.3
69.03461	0.3
70.99796	0.6
71.01381	0.9
72.99301	0.4
74.02459	0.5
77.73078	0.3
78.95896	0.6
79.95715	0.4
84.04544	0.3
85.02936	0.4
87.92530	100.0
88.04061	0.4
88.92571	0.8
89.92931	0.5
96.96008	1.6
96.96944	1.4
99.00887	0.7
100.52244	0.3
101.07224	0.3
102.92313	0.4
103.92025	21.7
104.92804	1.9
105.93587	13.4
108.85163	0.3
109.01688	0.5
111.00879	0.3
115.00345	0.4
115.08782	0.6
116.07169	2.0
119.91521	2.0
123.04514	0.8
123.94637	11.2
128.71062	0.3
129.01920	0.4
130.05154	0.3
130.08730	1.1
143.11819	0.5
143.91557	0.4
149.92537	0.4
152.07167	0.9
153.05589	0.9
159.89333	0.7
159.92094	0.6
160.91792	0.5
177.91968	1.5
187.10869	1.3
187.90453	4.7
188.11320	0.3
196.06152	0.9
231.13452	0.4
231.89394	0.4
232.02864	1.2
233.01244	0.5
233.10234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03423	1.1
63.36894	0.2
71.05004	0.5
73.02970	0.4
78.89487	0.3
83.05014	0.5
85.02953	0.9
96.96020	0.4
97.06554	0.4
123.08177	0.3
125.09732	2.7
127.11285	3.6
136.12427	0.3
141.07129	0.4
152.09186	0.3
155.14449	1.8
165.12856	0.6
166.14792	0.3
167.14439	1.4
171.10255	4.2
183.13905	1.0
185.05962	0.4
185.11826	1.3
201.15077	0.3
209.11798	2.8
211.13390	8.0
229.14420	100.0
230.14728	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	230.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50483	0.6
59.01366	2.1
66.43081	0.5
70.02981	1.7
71.01376	10.6
71.41445	1.0
88.04035	100.0
89.04362	1.1
96.99300	4.8
114.01968	5.4
114.09241	65.1
115.00365	19.2
115.07642	24.5
116.07946	0.8
130.08755	3.5
132.03004	5.4
154.76382	0.6
168.10277	3.3
186.11340	24.6
187.11725	0.9
212.09290	7.0
230.10307	58.5
231.03284	1.0
231.10672	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	230.1394
Annotation	isobutyryl carnitine
Peak:m/z	Relative Intensity
62.98913	0.5
68.25528	0.4
69.69899	2.8
71.05015	17.0
84.70077	0.4
87.72623	0.5
94.02930	0.5
98.20563	1.0
99.04514	0.9
101.06116	0.7
114.09216	3.1
120.66689	0.5
130.08727	30.2
138.56749	0.6
143.21854	0.4
147.60072	0.4
147.86182	0.4
147.98088	0.6
168.13913	0.7
170.88347	1.5
184.13362	0.6
186.14964	13.1
187.15292	0.8
187.62492	0.5
230.13937	100.0
231.06821	0.7
231.14250	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	231.1347
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
56.55163	0.5
57.71176	0.5
59.01370	2.2
70.62189	1.0
70.62555	1.1
71.01375	0.8
73.04067	15.1
73.04468	1.0
78.95904	0.6
79.62984	0.6
85.02949	0.8
87.92531	17.2
94.20663	0.4
96.96004	0.8
97.02940	0.6
101.02419	0.5
103.92038	4.1
104.92831	0.6
105.93593	2.6
107.05039	1.1
109.06532	0.6
114.09270	0.9
115.00415	0.6
116.07193	0.9
119.91472	0.7
123.94631	3.4
130.08734	84.1
131.09065	1.5
141.10309	0.7
143.03610	0.6
143.11893	24.9
144.08510	0.7
144.12175	0.8
151.03973	3.4
152.07179	1.2
169.09840	0.6
180.98203	0.5
187.10883	100.0
187.90491	1.0
188.11266	3.4
197.87071	0.6
216.04503	0.5
230.99673	1.8
231.08723	2.1
231.13489	29.1
232.06314	0.6
232.13882	1.7
244.33470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1651
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
57.03424	0.9
57.95358	0.7
59.01360	2.2
61.63747	0.8
61.98820	2.1
69.03432	0.8
69.69295	4.7
71.01383	1.0
79.26335	0.8
99.92564	2.0
104.66262	1.0
108.48853	0.8
139.11232	2.0
140.51402	0.7
144.86931	0.9
165.12840	4.8
180.83127	1.5
183.13864	13.3
183.17476	1.3
199.13263	1.3
209.11789	7.1
209.15439	2.9
212.06921	1.0
227.13106	13.9
227.16487	100.0
227.19812	10.4
228.02954	0.9
228.16805	5.0
240.05309	0.9
246.22868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1649
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
59.01392	1.4
61.98799	1.7
64.72646	0.8
73.02930	0.8
78.92451	0.8
81.07085	7.6
83.05013	1.3
91.08435	0.7
94.34838	0.7
99.92567	1.9
100.52644	0.7
106.46273	0.8
109.02911	0.7
127.07623	1.9
137.02393	0.9
139.11308	1.7
145.05008	0.9
153.05560	4.4
165.12799	3.4
168.91394	1.0
170.29272	0.9
181.07176	0.9
183.13881	14.2
197.04509	1.3
197.15417	1.8
199.13376	2.7
208.93230	0.8
209.11755	5.5
209.15448	2.2
225.14648	0.8
227.09322	2.0
227.13081	17.8
227.16501	100.0
227.19780	7.2
228.16841	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	227.2016
Annotation	Myristic acid
Peak:m/z	Relative Intensity
58.59000	0.3
61.31724	0.2
70.37111	0.3
70.37444	0.2
80.13523	0.2
99.04456	0.2
101.52313	0.2
131.91812	0.2
163.06796	0.2
165.12868	0.3
183.13858	0.8
209.19048	0.3
227.20149	100.0
228.20476	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
51.66799	0.5
57.03419	0.6
59.01366	0.8
64.61897	0.5
68.45830	0.5
69.03456	0.5
69.80562	2.5
71.01372	0.6
103.04234	0.4
111.18762	0.4
118.95851	0.4
129.05556	0.9
135.75136	0.4
139.11261	0.6
165.12865	1.1
167.14397	33.1
168.14711	1.1
185.15396	1.1
211.13370	42.4
212.13751	2.0
229.14412	100.0
230.14745	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	225.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
61.98820	64.8
65.00314	87.3
66.84499	7.2
68.99811	14.5
69.03426	7.6
71.62569	9.9
83.01375	9.0
93.03454	78.6
97.02947	8.7
99.13876	8.3
101.51328	7.8
108.99287	13.4
109.02910	10.6
126.90527	15.9
136.98776	34.6
137.02397	24.1
138.01965	9.2
140.98195	9.6
143.99176	12.9
152.98285	11.9
163.00529	8.1
165.01894	10.1
173.57256	9.5
180.04160	10.5
181.12292	16.5
182.00932	8.5
186.19301	9.1
195.02988	14.5
206.99362	22.5
210.05246	10.7
224.80173	13.4
224.90546	17.7
225.00385	36.9
225.07729	10.2
225.11313	59.9
225.18591	49.0
247.66830	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	227.1286
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03447	0.4
59.01373	0.3
62.70108	0.2
69.55314	1.3
88.02119	0.2
92.29321	0.2
107.08134	0.2
111.08140	0.8
135.63908	0.2
137.35431	0.2
161.22957	0.2
165.12840	20.4
166.13211	1.1
183.13895	100.0
184.14365	3.8
184.20946	0.2
191.10800	0.2
209.11871	1.6
227.12872	22.8
228.13199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01365	1.4
69.61652	3.1
71.91256	0.5
97.06599	0.6
111.08150	1.2
137.02408	0.6
139.11325	0.7
140.23143	0.5
165.12836	20.1
181.07100	0.7
183.13893	100.0
184.14215	3.9
185.11812	1.2
209.11838	4.7
212.06862	0.5
215.03404	0.6
227.12874	26.2
227.16248	3.4
227.20102	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	225.113
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.63076	0.5
59.01376	100.0
59.92916	0.4
60.01712	1.3
69.89340	2.8
73.14961	0.4
81.03461	0.5
90.52047	0.5
91.84917	0.4
97.06570	3.9
98.20622	0.5
106.09815	0.5
108.47067	0.5
135.08150	1.7
147.08150	2.9
165.09181	2.0
181.12337	1.1
225.11304	42.0
226.11635	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	225.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01377	17.9
61.98827	8.3
68.99796	1.0
69.93198	3.6
69.93604	1.9
71.01389	1.0
83.04999	2.5
89.02547	1.0
93.03452	4.1
96.96008	1.3
101.02435	1.6
117.18478	0.8
121.02908	1.5
126.90479	2.1
135.11798	0.9
137.02440	2.8
147.08002	0.8
152.08450	1.5
152.91771	1.0
163.11253	2.1
163.14926	1.7
165.01961	2.2
178.83397	1.0
180.04222	1.7
181.12277	3.5
189.12852	1.7
195.03032	4.1
195.06642	2.0
195.13872	21.9
197.15416	2.7
207.10332	2.4
207.13889	61.7
208.14175	3.9
210.05313	2.9
223.67731	1.1
225.00250	2.9
225.07736	2.1
225.11632	12.5
225.14932	100.0
225.92650	3.0
226.15186	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	225.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26208	0.6
57.03442	1.0
59.01379	11.2
61.01810	0.6
61.98823	6.1
65.00305	0.7
68.99831	0.8
69.03455	0.7
71.67330	0.6
81.03458	0.6
93.03458	1.9
96.96038	1.4
98.19846	2.3
109.02945	0.7
126.90526	1.1
137.02422	1.3
139.31665	0.6
152.08473	0.6
152.91718	0.7
152.94492	0.9
157.02905	1.3
158.82907	0.8
163.11276	1.6
163.14847	0.9
165.01904	2.2
178.83298	0.9
180.04262	1.4
181.12300	2.5
181.15929	1.5
189.12827	0.8
195.02963	1.8
195.06642	1.0
195.13901	8.0
197.15421	3.4
206.99329	1.0
207.10539	1.3
207.13882	23.0
208.14200	1.4
210.05342	2.2
217.27292	0.6
222.37915	0.7
224.90518	1.1
225.00134	0.7
225.02052	0.9
225.07669	2.1
225.11285	7.3
225.14931	100.0
225.92577	1.8
226.15280	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	219.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55714	1.5
59.01376	100.0
61.98824	4.8
65.59105	1.3
69.31464	13.8
83.96064	1.4
95.26558	1.2
121.02972	2.2
204.04248	3.6
219.06682	2.3
219.10153	2.0
219.13924	1.8
219.17542	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	221.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.0
66.33389	0.3
71.01409	0.8
71.58550	0.8
73.02951	1.7
74.58467	0.4
85.02946	0.6
87.00872	0.9
87.02744	2.3
90.03500	0.4
97.02962	0.5
100.42309	0.4
100.98272	0.4
101.02425	0.9
113.02451	0.5
121.15450	0.4
131.03540	0.7
131.05344	1.8
133.06923	100.0
134.07263	2.1
150.00246	0.4
158.08438	0.5
161.04556	2.6
167.67366	0.5
172.43446	0.4
177.99641	1.3
190.99757	0.5
192.01266	0.5
221.06635	0.9
221.08495	23.0
222.08868	0.9
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	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03444	1.4
59.01377	14.8
59.97602	0.6
69.03447	5.8
69.93556	2.7
71.01378	1.3
71.05023	1.8
71.61853	0.6
73.30596	0.7
78.68539	0.7
85.06564	0.9
88.61271	0.6
93.03447	1.1
101.02459	0.8
101.16503	0.7
109.06602	1.3
111.08142	0.7
125.09697	1.1
135.11830	0.8
141.01659	1.0
141.09174	1.0
147.06007	0.8
149.09737	1.5
161.13371	1.2
163.06114	1.6
167.10753	8.0
177.12868	1.9
179.10738	3.3
179.14401	9.8
195.13892	25.2
196.14284	1.1
205.12308	19.5
223.02750	1.2
223.13374	100.0
224.13646	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	225.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02925	1.4
59.01380	2.8
63.02365	1.0
65.00314	0.7
65.69365	0.4
67.01863	0.5
68.34319	0.4
71.01380	0.6
75.10635	0.4
78.95864	1.2
79.95719	0.4
82.02975	23.1
83.01363	0.7
87.00893	0.4
88.98779	0.7
89.00325	5.4
91.01879	2.6
92.05020	0.4
93.03442	2.6
95.01340	1.4
95.04983	0.5
96.96023	3.0
99.00883	0.5
101.02431	0.5
106.00588	5.3
106.25915	0.4
107.04980	0.5
109.02916	0.6
110.00113	0.4
110.02441	1.5
110.06067	0.9
111.00850	1.4
111.03272	0.6
111.04478	1.5
112.04010	1.8
112.98827	0.4
114.05584	0.9
118.02867	0.4
121.02946	52.0
122.03262	1.0
123.00871	34.0
123.04508	0.9
124.01228	0.7
126.90464	0.5
127.00357	1.2
127.05069	0.5
127.66164	0.5
134.91570	0.6
136.98775	1.2
137.02408	1.9
137.04382	0.7
137.06059	0.7
138.03217	48.6
138.09218	0.7
139.00366	1.4
139.03799	1.0
149.02473	0.5
151.00366	13.9
152.08391	1.0
153.05559	100.0
154.02687	0.7
154.05913	3.6
163.03928	0.5
163.08769	0.8
165.02034	1.0
166.02676	7.0
167.03455	0.7
180.02776	0.5
180.04298	1.0
181.01443	0.5
181.05089	0.7
181.09816	23.6
182.08215	1.1
182.10077	0.8
195.03027	1.6
195.06631	0.8
197.04514	2.5
207.10265	0.9
210.05351	1.2
224.90813	0.6
225.00539	1.2
225.04088	6.2
225.08858	20.2
225.11301	2.2
225.14952	0.5
226.09241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1032
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01376	2.1
71.01374	10.4
71.05014	16.6
71.33010	0.6
71.33336	0.5
72.00896	1.4
72.04528	0.6
88.04034	100.0
89.04369	1.2
97.08543	0.5
99.04515	4.8
99.08189	0.5
102.64639	0.5
116.03542	0.7
116.07152	2.3
129.05550	1.0
131.01697	0.6
146.08218	44.8
147.08539	1.6
147.72371	0.5
174.05737	0.8
190.55891	0.4
200.09271	1.5
218.10303	30.4
219.10667	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02918	0.3
59.01375	1.1
59.09727	0.3
61.98816	0.4
70.15873	0.7
70.16236	0.6
71.01382	0.3
73.02947	0.3
74.02489	0.4
79.95718	1.8
80.67460	0.3
80.96520	4.6
87.02744	0.8
95.95221	7.5
96.96004	100.0
97.95924	0.4
98.10610	0.3
100.00442	0.3
106.24854	0.3
109.02883	0.4
119.05001	0.6
121.06590	0.5
123.04514	0.6
132.04503	0.4
132.40921	0.3
133.06961	2.0
134.26680	0.3
137.02469	0.6
139.07683	2.0
147.04510	0.3
149.77216	0.3
157.07681	3.0
170.80461	0.4
175.04033	0.5
204.04237	0.3
219.03296	82.9
219.17488	4.0
220.03673	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	217.108
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
50.12154	0.4
54.32909	0.3
57.03444	0.6
57.15452	0.3
59.01091	0.6
59.01374	12.0
62.10583	0.4
62.96399	0.4
69.50143	0.4
71.01338	0.4
71.63212	0.5
72.99334	0.4
73.02955	0.5
77.91634	0.3
85.02951	1.0
96.95999	0.6
99.04489	0.4
112.22757	0.4
125.09679	0.8
127.04014	1.0
127.11261	2.3
132.98248	0.3
137.09695	2.6
145.02933	1.9
153.09161	0.7
155.10760	32.7
156.11099	1.3
171.10255	44.9
172.10590	1.5
173.02356	1.7
173.05992	0.4
174.03111	0.4
174.99193	3.7
181.08704	0.5
199.09726	5.9
202.02704	0.6
217.00058	2.8
217.04349	3.1
217.10771	100.0
218.04631	0.8
218.08182	0.5
218.09027	0.5
218.11084	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	217.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19092	0.2
51.19882	0.2
51.60191	0.3
69.36652	1.8
69.37062	0.4
101.76147	0.3
108.02167	5.8
111.15446	0.3
115.41586	0.2
118.06626	0.6
138.01961	100.0
139.02292	2.7
146.99193	0.3
217.97618	8.1
218.00858	0.3
218.08208	0.4
219.17526	0.5
236.13354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1286
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
55.90733	0.5
57.03436	1.5
57.39940	0.4
59.01371	1.1
69.44587	2.9
69.44994	1.1
71.01376	0.7
71.52834	0.4
83.05009	0.8
87.00862	1.8
89.02427	1.4
125.09744	1.0
144.00897	2.8
151.11256	1.2
153.12839	44.6
154.13174	2.0
162.55978	0.4
171.02026	0.7
171.13918	1.2
197.11816	52.9
198.12144	2.1
200.04797	1.2
215.00989	22.5
215.07259	4.0
215.12851	100.0
216.01224	1.3
216.13205	5.2
224.12695	0.6
232.03677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.8968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01132	0.3
59.01463	1.7
69.54524	0.9
71.01463	0.2
72.99372	0.1
78.95998	0.7
79.95406	0.2
79.95805	0.3
85.03009	0.3
88.43585	0.1
96.96082	0.6
117.00439	0.6
117.71909	0.1
119.93740	0.2
126.98861	0.2
127.04070	0.1
136.94002	100.0
137.94078	5.6
145.06316	0.2
154.95023	0.7
156.90298	3.5
156.99870	0.2
157.90373	0.1
168.99857	0.4
174.99055	0.3
184.38155	0.1
199.00998	0.2
216.89487	21.7
216.93694	0.5
217.00014	0.4
217.01688	0.4
217.89581	1.2
217.96001	0.1
234.90675	9.9
235.90779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04995	0.4
59.01374	37.3
60.01685	0.3
70.07811	0.3
71.01361	0.5
71.21925	0.6
73.90453	0.4
79.95727	14.3
80.96510	4.1
81.03440	0.6
85.02931	0.6
88.04017	1.3
89.04349	0.5
90.97115	0.7
93.03444	0.5
96.96000	19.4
100.07670	0.8
101.07989	0.9
106.04225	3.3
107.05022	1.1
108.02180	0.4
119.05019	7.2
126.04351	0.5
127.03973	0.5
132.98224	0.8
135.04535	0.5
137.02548	1.7
137.06071	100.0
138.06393	3.5
148.07655	0.6
158.89493	0.4
173.10080	0.7
174.99219	11.8
186.65178	0.4
202.02817	0.4
217.00345	4.9
217.01820	64.6
217.09106	1.0
217.10857	0.9
218.02150	2.0
236.23077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	54.8
69.95868	3.2
73.02918	0.8
79.95727	11.4
80.96497	1.7
85.02934	1.4
87.00851	0.7
87.04498	1.6
88.04033	1.0
90.97093	1.0
91.90097	0.5
93.03454	3.3
94.63148	0.6
95.05007	0.6
96.96005	18.4
98.19933	0.8
117.03566	0.6
118.96687	0.5
119.05016	100.0
120.05404	3.2
120.06156	0.8
127.03996	1.1
131.03752	1.4
132.98180	1.5
133.95567	0.5
135.04523	0.7
137.06071	64.5
138.06447	2.3
158.06012	0.6
172.99124	5.4
174.03262	0.8
174.99223	14.7
202.02634	0.7
217.00323	7.1
217.01833	81.0
217.10797	2.6
218.02197	2.6
218.08319	0.7
218.98404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1494
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
59.01374	0.3
71.32871	0.2
71.33202	0.1
89.32381	0.1
104.68353	0.1
120.57821	0.2
165.12764	0.2
167.14288	0.2
177.12833	0.3
183.13885	25.4
184.14220	1.5
195.13881	20.8
196.14226	1.0
211.13373	0.5
213.14941	100.0
214.15292	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	214.0178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10345	2.4
59.01371	6.6
60.97528	18.5
61.98815	12.9
66.03480	8.2
68.99815	3.3
71.01387	3.5
71.16340	4.1
71.16671	3.2
82.55299	2.4
83.58834	2.3
89.02455	2.4
93.66735	3.0
100.02264	75.8
101.02492	3.5
107.99193	2.3
108.04546	46.3
119.92471	2.8
122.89365	5.5
124.04015	6.3
136.04045	52.8
142.03282	3.6
144.00905	8.9
154.90634	3.5
170.02795	10.8
177.90298	11.6
180.45963	2.3
183.13889	7.2
184.14218	24.8
186.89882	4.8
195.13847	3.3
196.14252	19.6
207.32239	2.8
213.14951	17.9
214.01570	5.0
214.05156	3.0
214.08844	5.9
214.15305	100.0
215.00978	87.0
215.03064	3.1
215.07176	3.1
215.12808	3.3
215.16478	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	211.061
Annotation	Danielone
Peak:m/z	Relative Intensity
57.62646	0.8
59.01371	1.8
61.53611	0.9
63.10732	0.7
70.89616	1.5
70.89960	1.5
80.26805	0.7
95.01382	1.5
96.95984	1.1
107.05019	1.6
108.02166	5.4
109.02947	11.9
120.02162	9.2
123.00910	1.1
123.04507	5.0
129.05548	2.1
134.03720	2.8
135.04494	1.6
136.01628	5.4
137.02451	1.5
138.03203	2.2
146.86214	0.7
148.01656	83.3
149.02104	1.8
150.03166	1.4
151.03973	3.8
152.01115	1.0
153.05562	69.2
154.05922	1.9
163.03996	83.0
164.03055	0.8
164.04414	2.6
165.01930	1.9
166.02704	6.8
179.03447	2.3
181.05048	100.0
182.05353	2.8
193.05069	1.2
196.03732	7.3
211.06093	41.6
211.13304	4.2
212.06490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1337
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
55.56074	0.4
59.01373	1.2
60.95364	0.4
61.98823	0.7
68.32021	0.4
69.03429	0.7
70.68816	1.2
71.01376	0.4
83.05031	0.6
94.95911	0.4
95.01408	0.5
109.02880	0.6
109.73553	0.4
135.96310	0.4
137.02429	0.5
142.18047	0.4
148.01649	0.7
151.06129	0.7
155.10852	0.5
163.03973	0.6
165.12886	0.7
166.91040	0.8
167.08607	0.4
167.10751	1.8
167.14392	1.5
167.73549	0.4
168.94255	0.4
181.05034	1.0
182.03297	0.4
183.13878	13.9
184.14249	0.9
193.12289	3.1
211.03905	1.6
211.13368	100.0
212.13696	5.7
230.73149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02972	33.0
67.24963	0.7
69.40131	1.4
69.40553	3.7
70.02971	12.6
72.00895	4.0
80.97945	0.8
91.05527	11.6
98.20643	1.4
103.05556	1.4
109.48545	0.6
135.04536	1.2
147.04510	34.6
148.04767	0.7
157.57680	0.8
159.47746	0.7
162.09198	1.2
164.07152	100.0
164.43291	0.7
165.07481	2.3
189.89963	0.6
206.08191	43.8
207.08560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0821
Annotation	Streptazolin
Peak:m/z	Relative Intensity
59.01385	1.1
64.74219	0.2
69.40668	1.5
69.41076	0.4
75.00878	0.2
75.65848	0.2
82.57733	0.2
86.02452	0.3
91.05516	0.3
91.38010	0.2
93.03463	0.6
100.04066	0.5
117.03474	0.6
119.05019	100.0
120.04520	0.3
120.05354	3.0
121.02966	0.2
123.04543	0.3
129.01952	0.4
130.04225	2.5
131.05009	0.5
132.05803	0.3
134.06105	1.3
138.09496	0.2
144.04532	1.8
149.02432	0.3
158.06084	1.3
162.05608	0.3
164.07141	0.7
176.07140	0.5
177.01865	1.4
188.07178	1.8
192.04269	1.5
206.08195	49.8
207.06699	0.3
207.08461	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0661
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.02428	0.7
54.10534	0.7
59.01374	88.5
60.01723	0.9
69.72044	5.1
72.99308	8.2
79.87042	0.7
85.32314	0.8
90.36576	0.7
98.20601	1.5
103.05516	4.5
110.74114	0.8
119.05020	10.5
147.04510	100.0
148.04832	2.8
165.05556	88.8
166.05844	3.1
177.01920	2.8
192.04254	1.9
207.06619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0452
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
57.03432	0.8
59.01388	1.3
68.99837	0.4
69.89539	1.3
71.01361	0.6
77.03959	0.5
79.95708	1.8
83.01377	0.4
85.02959	2.6
87.00862	0.8
89.02425	0.4
90.77547	0.3
91.01905	1.3
93.03465	0.4
95.01376	0.3
95.05012	0.3
96.96000	1.4
98.19868	0.5
99.00847	0.3
105.03469	1.4
107.05098	0.2
120.02149	2.0
121.02946	100.0
122.03267	2.3
123.04521	0.4
124.04027	0.5
129.01933	2.1
133.02951	0.9
135.04507	0.3
136.01677	1.3
137.02428	0.4
137.06094	0.3
150.03224	0.8
151.03984	4.3
152.84653	0.3
159.02953	0.5
161.02425	10.7
161.22626	0.3
162.02779	0.3
165.00200	0.5
165.05585	0.5
176.04768	4.9
177.01958	0.4
177.05098	0.3
179.03481	15.5
180.03839	0.7
181.05064	0.3
191.03525	0.5
191.07094	1.7
194.05824	15.0
201.38898	0.3
208.99089	0.7
209.04547	16.2
209.06577	3.2
209.08209	4.9
209.11800	0.9
210.02118	0.9
210.04901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30500	0.6
57.03415	0.9
59.01344	1.5
63.07563	0.6
66.01061	0.8
70.57542	0.6
79.95733	4.2
85.02921	1.5
93.03434	1.4
95.01400	0.6
95.04998	2.3
96.95972	1.9
97.02937	0.8
105.03445	8.0
108.17828	0.6
109.02890	0.7
114.38806	0.6
117.03409	0.7
120.02113	1.9
121.02948	78.2
122.03259	2.7
123.04537	1.2
124.04013	0.8
129.01959	0.9
133.02939	6.0
135.04472	0.6
136.01691	0.7
147.04497	1.0
149.65550	0.7
150.03183	1.5
151.03992	27.9
152.04355	0.8
161.02431	66.5
162.02779	2.7
165.05539	0.9
169.23843	0.7
176.04768	33.4
177.05180	1.5
179.03479	100.0
180.03790	3.4
191.07098	12.1
194.05820	92.5
195.06186	2.7
208.09790	0.7
208.99132	0.7
209.04680	12.1
209.08189	30.4
210.02293	1.7
210.08496	1.6
216.53571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82537	1.6
55.01868	7.6
57.03436	3.6
58.00598	2.5
59.01373	60.5
67.01889	4.3
68.99814	10.0
71.01376	62.4
71.61289	2.3
72.99303	36.2
73.02926	10.8
75.00871	28.8
75.15265	1.8
78.60368	1.6
83.01376	13.7
85.02933	6.3
87.00874	26.0
88.98803	2.6
89.02438	13.0
93.90476	1.8
96.99306	4.7
99.00878	49.5
99.05656	1.8
100.98787	4.2
101.02441	8.7
103.00376	4.9
111.00874	17.3
112.98803	100.0
113.99098	2.0
115.00369	59.0
117.01913	12.6
124.98764	9.6
125.02451	4.4
127.00368	7.1
129.01941	14.7
142.99837	16.8
145.01405	22.3
154.99866	9.0
157.01448	2.6
157.06160	5.3
162.05664	2.4
173.00867	8.4
175.02443	7.3
205.03410	4.9
205.06566	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88021	0.8
52.25335	0.7
55.01868	1.5
55.02763	0.7
57.03445	1.2
57.27345	0.7
58.00597	0.8
58.02973	3.9
59.01371	12.4
61.54133	0.6
62.83822	0.7
67.01884	4.8
68.99793	1.1
71.01375	11.5
71.05022	1.1
71.36271	0.7
71.36633	1.4
72.99302	41.9
73.01167	3.1
73.02937	6.3
74.02496	1.0
75.00874	5.2
75.38278	0.6
81.03456	1.5
83.01378	5.4
85.02946	10.6
85.75444	0.7
87.00867	9.2
88.98844	0.9
89.02454	1.6
97.02975	0.8
99.00876	10.3
99.04512	2.6
101.02436	5.6
101.78626	0.7
103.92013	1.6
111.00872	100.0
112.01193	1.5
112.98804	7.1
115.00364	11.4
115.04000	3.0
117.00159	0.9
117.01922	2.3
118.03317	4.0
119.05022	1.4
120.99602	0.9
124.98811	1.7
125.02429	8.0
129.01941	5.3
131.04578	1.6
133.04866	1.2
134.27884	0.8
142.99847	2.6
143.03494	8.8
145.01462	3.8
145.05060	1.0
154.98604	0.9
154.99852	17.4
173.00894	17.3
176.50674	0.7
187.02376	2.7
205.01753	1.4
205.03493	8.2
205.07117	1.8
205.09050	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	205.1595
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
54.88696	0.1
57.38262	0.1
57.46214	0.1
59.01374	0.3
70.48457	0.1
70.93684	0.2
70.94009	0.2
74.81663	0.1
77.52302	0.1
80.00921	0.1
91.61511	0.1
99.00864	0.1
162.89264	0.1
188.24533	0.1
189.12846	1.6
205.15956	100.0
206.16289	5.0
206.18272	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.5
60.01711	5.3
60.02022	0.1
61.01805	1.5
61.98825	100.0
62.98547	0.1
85.02924	0.1
87.17161	0.1
143.86456	0.3
159.03259	0.1
160.03650	0.6
161.01109	0.1
161.87642	0.1
162.01610	0.3
203.99934	1.0
204.02643	2.6
204.06525	0.1
205.02803	0.1
205.04912	0.1
205.15851	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0875
Annotation	N-Acetyl-D-fucosamine
Peak:m/z	Relative Intensity
51.08930	0.6
55.01878	0.8
57.03441	2.5
58.02971	29.1
59.01375	7.8
67.01883	1.4
68.99792	0.8
69.03442	2.7
70.02966	1.6
70.09865	3.2
71.01381	11.0
71.05006	1.7
72.00896	1.4
72.04533	2.5
72.99302	12.7
73.02950	2.0
74.02485	1.7
75.00874	3.7
81.03462	1.3
83.01392	1.6
83.05024	1.3
84.04543	2.8
85.02937	14.5
86.02493	0.9
86.06099	1.7
87.00858	5.5
88.04037	5.7
89.02435	1.7
89.35361	0.6
89.76323	0.7
94.72038	0.6
95.95232	0.7
96.33352	0.6
96.96019	1.1
97.02932	0.6
98.02467	1.6
98.06110	5.7
98.19853	0.7
99.00874	5.5
99.04518	3.3
100.03415	1.3
100.04035	14.6
100.07668	2.4
101.02421	3.1
102.05598	1.1
103.00384	0.6
106.06632	0.7
108.04527	1.9
110.06089	2.0
111.00877	21.9
111.01638	1.4
111.85686	0.8
112.07661	0.8
112.98792	7.1
113.03519	0.8
114.05592	6.1
114.09258	3.5
115.00356	5.2
115.04000	2.7
116.01736	0.8
116.07169	14.1
117.01920	1.5
124.07640	4.0
124.98795	1.2
125.02430	12.1
127.00323	0.9
127.04015	0.8
128.03525	1.9
128.07172	2.5
129.01926	2.7
130.05058	1.0
130.08728	3.5
131.04662	0.8
132.04518	2.0
132.06613	3.2
138.05611	4.4
138.92053	1.6
140.07166	17.9
141.07446	0.9
142.08728	2.7
142.99847	1.6
143.03485	1.9
144.06622	1.9
144.95462	1.4
145.01424	4.1
146.04579	0.9
154.99854	3.5
156.22397	0.7
158.08211	34.4
159.08549	1.3
160.04054	1.4
162.07707	2.9
168.06610	2.8
168.93042	0.7
173.00847	4.3
174.09547	0.8
175.02350	0.7
185.98210	1.2
186.07686	18.1
186.09332	1.0
187.02466	2.0
198.47127	0.7
202.07213	1.6
203.99144	1.8
204.08746	100.0
205.03485	4.9
205.07321	0.8
205.09090	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	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.6
55.36752	1.2
57.03435	6.0
58.00599	1.7
58.02969	10.4
59.01088	2.7
59.01373	35.5
59.01671	1.9
67.01894	5.0
68.99811	4.5
70.19187	1.3
71.01378	36.6
71.05026	3.3
71.60809	1.5
71.61210	2.1
72.99300	60.5
73.01170	1.5
73.02942	11.2
74.02475	3.2
75.00864	15.0
81.03442	3.8
83.01379	15.5
84.04529	1.7
85.02950	12.0
87.00866	20.9
87.05648	2.1
88.98804	1.6
89.02435	7.5
96.99291	1.5
99.00871	34.5
99.04528	5.6
101.02426	11.7
103.00355	2.9
111.00871	100.0
112.01202	2.3
112.98808	40.4
115.00365	38.1
115.01055	1.2
115.04005	3.9
117.01939	7.7
118.03299	10.4
124.98823	3.7
125.02440	29.2
127.00373	3.7
129.01932	10.8
130.08688	2.2
131.03658	1.6
131.04581	8.0
136.55009	1.4
138.92033	2.7
142.99835	9.1
143.03464	8.8
143.07086	1.7
144.95485	3.6
145.01414	15.5
147.03023	3.2
154.99850	18.9
157.06204	1.6
161.05617	2.6
168.93091	2.5
173.00879	17.7
175.02455	2.1
187.02454	4.8
187.06203	1.6
187.08040	3.5
205.03503	16.5
205.06972	4.5
205.09068	7.0
206.04951	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	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.42409	0.6
55.09981	0.7
58.28382	0.5
59.01369	1.0
69.96334	2.7
72.00906	25.8
74.02470	32.7
75.02753	0.7
79.44112	0.7
103.92007	0.7
105.41660	0.6
116.05058	100.0
117.05395	3.0
129.05893	0.6
130.06607	3.4
132.08212	1.1
141.00136	0.6
142.06616	26.2
143.06976	1.0
145.68835	0.7
157.07681	1.2
159.09267	18.7
160.09494	0.7
161.04802	1.4
175.76169	0.8
186.05620	3.9
203.08247	79.8
204.08580	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1284
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
54.02989	0.2
57.03458	0.5
59.01377	6.7
71.01350	0.3
71.63163	0.4
72.99308	0.5
79.95741	0.8
80.96514	0.3
83.05034	0.3
85.02927	0.4
87.00893	0.3
95.95208	0.5
96.96012	1.2
99.08135	0.4
103.92017	1.3
104.88289	0.2
104.97765	0.3
113.02441	0.4
115.92889	0.2
116.05045	1.2
117.03471	0.3
125.09705	0.5
127.11283	12.2
128.11662	0.4
130.04224	0.3
131.05019	0.4
137.09732	0.6
139.11256	0.5
142.06558	0.3
148.95427	0.5
151.55255	0.3
153.87003	0.2
155.10773	7.9
156.11174	0.3
157.12326	43.6
158.12659	1.6
159.04518	0.6
159.97617	0.4
160.89270	0.3
175.04065	0.4
185.11823	0.9
195.16830	0.2
196.00504	0.5
201.11301	0.9
202.94128	0.3
203.03435	0.8
203.12857	100.0
204.02969	0.3
204.06630	0.8
204.13194	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	201.1131
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.96166	0.5
57.03449	5.4
59.01377	7.9
64.87054	0.6
69.03424	0.8
69.37905	3.2
69.38303	1.1
81.24995	0.5
83.04996	1.0
104.56495	0.6
111.08147	5.2
125.09715	0.8
137.09688	2.3
139.11282	100.0
140.11626	3.1
157.12300	1.1
180.52168	0.6
183.10245	47.8
184.10548	1.7
201.02448	1.0
201.11304	99.2
202.11618	3.2
207.34850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1495
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01374	11.9
69.69473	1.7
70.15643	0.3
85.88240	0.3
110.96968	0.3
125.09711	2.0
139.03931	0.3
139.11278	0.4
155.14403	5.4
156.14674	0.3
157.03584	0.7
173.06009	0.4
183.13928	2.0
199.13376	0.5
201.02550	2.0
201.14943	100.0
202.05144	0.3
202.15268	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	203.0824
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
55.17514	0.5
59.01370	2.0
65.93708	0.4
70.21718	1.7
72.00905	24.5
74.02467	31.7
89.23357	0.4
107.22617	0.5
112.18819	0.4
116.05056	100.0
117.05398	3.8
123.72146	0.4
129.05807	0.7
130.06639	3.0
130.84013	0.4
132.08202	1.0
137.49713	0.5
140.68111	0.4
142.06619	27.6
143.06966	1.0
157.07700	0.7
159.09265	20.5
160.09593	0.7
161.04881	0.9
186.05602	4.4
203.08241	76.2
204.08539	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98834	0.7
66.08203	0.5
69.03456	0.7
70.36326	0.8
70.36722	1.3
71.01370	1.0
71.05010	1.0
75.18469	0.5
80.17250	0.4
97.06586	12.5
99.08152	4.3
111.08182	0.5
116.92876	0.6
122.03745	2.0
123.00854	1.1
125.09694	0.6
126.03236	0.7
126.90475	0.6
137.09691	2.0
151.11310	0.7
153.05591	0.6
153.12834	100.0
154.13184	4.3
160.84212	1.3
162.83871	6.2
166.99884	1.0
179.10753	23.1
180.11137	0.8
182.02199	2.1
197.01990	0.8
197.04517	0.7
197.08165	0.5
197.11806	10.7
197.80795	4.1
198.12151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0974
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03443	2.2
59.01378	3.7
61.72953	0.5
67.01876	1.1
68.99812	0.9
69.03446	1.9
69.58877	1.7
69.59303	1.6
71.01373	1.4
71.05017	1.8
72.99270	0.5
73.02942	1.1
81.03465	1.5
83.01382	0.7
83.05019	9.2
83.85345	0.5
85.02946	1.2
92.99782	0.6
99.00890	1.7
99.04561	0.6
101.02402	0.6
109.06576	1.1
111.00892	1.7
111.04642	0.5
111.08176	0.7
113.02435	4.3
125.02443	1.0
127.00407	0.6
127.04037	2.9
135.08128	0.8
137.09711	15.3
138.10063	0.8
139.04062	0.6
143.58025	0.5
155.10768	100.0
156.11115	3.5
162.83913	2.4
162.95598	0.6
164.83603	1.9
173.64513	0.5
181.08690	3.9
199.04250	0.7
199.06068	1.6
199.09740	34.8
199.13403	7.1
199.16997	2.7
199.80495	1.7
200.03508	1.7
200.10060	2.0
200.13608	0.6
204.72005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01729	0.6
66.03497	0.5
70.02930	1.7
70.96387	0.4
72.04549	0.6
82.06624	1.4
86.06128	0.6
88.04037	31.6
89.04386	0.5
101.92475	0.6
102.92326	0.7
103.92007	0.4
112.07648	0.6
115.02499	0.4
115.08801	0.9
117.00434	0.6
129.10326	1.5
130.08759	1.9
135.05737	0.5
137.29976	0.4
140.10825	1.6
157.03545	5.9
157.13438	7.7
159.01521	2.0
175.02798	0.7
183.04796	0.4
201.02536	17.3
201.05627	0.6
201.12436	32.4
202.02672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.113
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03430	2.9
59.01376	28.4
69.03445	1.4
71.01358	0.8
71.05012	0.7
71.62646	0.8
83.05013	0.9
85.02970	0.7
87.04511	0.8
95.01383	0.6
95.05013	1.1
97.06581	11.6
99.04506	1.0
99.92567	1.1
111.08116	0.7
116.92861	0.6
123.08154	7.4
125.09714	100.0
126.10011	3.4
139.11223	1.5
157.03624	1.4
157.36192	0.6
164.83617	1.0
169.08722	3.0
173.02509	0.8
183.10210	0.9
187.09763	0.6
201.02525	4.5
201.05582	1.7
201.11307	16.0
201.15016	2.3
223.20352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
59.02667	0.4
64.72724	0.4
65.00301	0.5
67.01893	0.9
69.95103	0.7
69.95520	2.0
71.01373	1.2
82.02973	3.2
83.01387	0.5
84.04520	0.5
89.00340	1.4
91.01900	0.5
95.01381	12.5
97.02972	0.5
98.19887	0.4
106.00591	1.9
109.02961	0.9
111.00900	0.6
112.98812	0.4
121.02949	16.9
122.03281	0.7
123.00877	56.8
124.01184	1.1
137.02443	0.6
138.03223	16.9
138.04292	1.0
139.00356	0.8
141.10332	2.9
153.01935	0.9
153.05563	16.1
153.09233	0.8
166.99844	41.2
168.00233	1.1
181.01463	1.7
182.02193	100.0
183.02524	3.3
197.04539	34.9
197.13004	17.8
198.04845	1.3
198.13318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0453
Annotation	Syringic acid
Peak:m/z	Relative Intensity
63.02427	0.5
65.00325	0.5
67.01893	0.8
71.00607	1.0
71.00940	0.5
77.30000	0.5
89.00343	1.4
91.01916	0.5
95.01382	12.1
106.00597	1.7
109.02969	0.5
109.33427	0.5
121.02950	18.0
122.03259	0.5
123.00877	56.2
124.01207	0.9
127.00324	0.6
128.25064	0.4
136.98793	0.7
137.02415	0.8
138.03229	15.8
139.00359	0.7
153.05563	13.8
154.05870	0.7
161.53024	0.4
166.99847	43.1
168.00203	1.0
181.01411	1.3
182.02196	100.0
183.02525	3.2
197.04536	31.8
197.11812	1.2
198.04904	1.3
202.30772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35006	0.2
59.01364	0.4
61.98812	0.4
65.03936	0.3
69.74591	1.4
70.90260	0.2
71.01372	1.4
81.03448	0.9
83.01382	0.3
91.01894	0.2
93.03458	0.9
95.01375	1.1
96.96008	0.3
97.02957	0.3
107.05094	0.2
108.02149	1.7
109.02941	5.0
111.00879	0.6
111.04502	0.3
116.92866	0.3
121.02929	0.4
123.00878	2.6
123.04517	0.3
124.01650	1.2
125.02436	0.3
126.90503	0.6
129.58713	0.2
135.08153	0.3
136.01643	2.2
137.02428	36.8
138.02869	1.0
139.00369	0.3
152.01039	0.2
153.01933	0.8
153.05563	0.6
153.09210	0.8
154.05092	0.2
160.84233	0.3
162.83919	0.4
164.01122	0.8
164.04787	0.4
165.01907	100.0
166.02252	2.9
166.99829	0.8
169.12303	0.3
178.99904	0.7
179.03487	0.9
182.02203	2.6
182.05830	0.5
183.88400	0.2
197.00871	0.5
197.04494	2.3
197.05896	0.2
197.08170	0.8
197.11749	1.3
197.80727	0.5
215.47353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.10244	0.8
51.77060	0.7
53.58957	0.8
55.01881	0.8
57.03428	1.9
59.01364	3.0
61.98832	4.7
68.99567	1.5
69.03447	2.7
71.01366	8.4
71.05004	2.9
71.62969	1.0
79.87861	0.7
80.16494	0.9
80.96504	1.1
81.03480	1.2
83.05019	1.8
84.02129	0.7
95.01374	2.6
96.09531	0.7
96.95995	0.8
101.02426	1.0
103.97664	4.0
105.37228	0.9
109.02954	1.7
111.00874	0.9
111.04484	0.9
112.01682	1.7
112.98585	1.8
116.92825	1.6
121.02930	3.7
123.00884	12.0
123.04504	1.2
125.09659	1.4
126.90500	4.5
137.02390	1.8
138.03209	3.1
149.02399	0.8
153.01959	1.6
153.05557	5.5
153.09219	4.8
153.12807	4.1
155.18988	0.8
160.84218	6.9
160.85446	1.1
162.83900	17.5
166.99844	7.5
169.12332	2.3
178.99832	2.5
179.03548	0.7
179.10745	2.0
182.02202	18.0
196.92456	0.9
197.00885	2.3
197.04550	6.8
197.08171	4.7
197.11806	100.0
197.80791	8.7
198.04192	1.0
198.12141	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	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
59.01375	9.8
61.98820	2.1
71.61134	0.3
74.36964	0.2
78.95901	0.2
82.09755	0.2
85.02937	0.4
96.96009	3.8
96.96947	0.3
109.06573	3.4
111.08146	2.8
121.02927	0.3
122.03749	0.4
125.09757	1.0
135.06622	1.3
135.11815	0.5
138.06845	0.6
139.07610	0.4
150.03174	0.6
151.11273	0.7
152.91754	6.8
152.93036	0.3
152.94482	0.9
153.92236	0.4
158.84688	0.5
160.84198	17.0
165.01903	0.4
165.05560	0.6
167.14391	6.0
167.15759	0.4
167.90450	2.1
168.14853	0.4
179.10750	4.1
180.04247	1.1
180.11334	0.6
194.91321	0.3
194.92845	3.6
194.95589	0.8
195.13876	100.0
195.81075	8.5
195.93279	0.3
196.07018	0.2
196.09747	0.6
196.14214	4.0
212.93867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0613
Annotation	N,N-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
55.03230	0.2
55.88470	0.3
59.01371	0.9
60.01693	0.4
61.98821	0.2
66.03484	0.3
69.75636	1.4
70.19397	0.2
71.01377	0.4
80.05105	0.2
98.20572	0.5
98.48592	0.2
106.06631	0.4
108.08183	100.0
109.08508	2.5
110.06069	0.5
122.02491	0.2
123.00830	0.3
124.04007	0.7
125.16193	0.2
126.90559	0.3
138.53973	0.2
152.03578	0.7
152.07155	44.5
153.07501	1.3
153.09195	1.1
160.84195	4.0
166.99881	0.5
181.04541	0.4
182.02182	1.0
182.65700	0.2
195.81070	1.9
196.06116	17.9
196.09818	1.1
197.04626	0.4
197.06427	0.6
197.08203	0.5
197.10129	0.2
197.11844	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0203
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
52.43206	0.3
55.91852	0.3
59.01371	0.8
61.98820	1.6
64.01921	0.9
64.53276	0.3
65.03960	2.1
67.01879	0.5
71.01380	2.9
71.62267	0.4
76.35071	0.4
80.96484	0.4
81.03456	0.6
85.02943	0.3
88.01887	0.6
93.03432	0.9
95.01375	1.1
96.96026	0.7
100.35829	0.3
109.02948	10.3
110.02446	0.5
110.76851	0.3
111.04569	0.5
115.50789	0.3
116.92873	1.7
121.02923	1.5
122.02481	0.4
123.00876	4.0
126.90493	0.7
135.08170	0.4
137.02429	18.6
138.01950	0.9
138.02989	0.5
139.02756	0.4
140.03520	2.9
150.01970	3.3
153.01955	0.5
153.05539	1.3
153.09207	1.1
153.12839	0.7
160.84200	3.2
162.83905	8.9
166.01370	0.6
166.99960	2.2
167.02214	8.0
167.03616	0.4
178.99846	0.5
180.01740	13.4
182.02197	6.1
197.02020	100.0
197.11780	5.9
197.80760	5.9
197.90125	0.5
198.02399	2.0
212.00751	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	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
51.14823	0.3
57.03441	6.2
59.01371	0.9
67.01886	2.7
70.01308	0.3
70.61945	1.1
71.01392	0.5
73.02928	0.6
85.02946	25.3
87.00871	42.2
88.01220	0.4
101.02451	0.7
103.03992	0.5
111.00873	100.0
112.01215	1.8
112.98801	1.1
117.01917	0.6
118.50322	0.3
129.01932	6.2
130.99863	0.9
149.02733	0.8
154.99823	0.7
173.00887	2.5
191.01956	13.1
191.05597	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	191.0348
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03443	0.6
59.01374	8.6
60.55708	0.2
63.74564	0.2
67.01869	0.4
71.01412	1.0
73.02919	0.6
77.03952	0.2
83.01359	0.4
85.02950	3.7
87.00868	3.0
93.03469	0.6
102.67824	0.2
104.02683	0.6
105.66955	0.2
111.00873	6.0
118.99279	0.3
119.05005	1.1
121.02944	100.0
122.03265	2.3
127.03983	0.3
129.01936	0.3
131.03471	0.6
147.04506	6.8
148.01628	0.6
155.13705	0.2
162.70355	0.2
163.04056	0.6
176.01123	2.7
191.01945	0.9
191.03487	10.2
191.05573	5.0
191.07108	0.4
196.90807	0.3
207.94682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
58.00597	0.8
59.01376	29.3
60.20837	0.5
65.00328	3.6
67.01915	0.6
68.99825	0.8
69.03485	0.5
70.19151	1.7
71.01376	5.8
72.99313	2.1
73.02939	0.5
75.00869	39.9
77.13521	0.5
78.95901	12.9
79.95753	0.9
80.96527	1.3
83.01367	1.0
85.02950	3.4
87.00871	6.2
89.02422	2.2
91.01891	20.8
92.02245	0.5
93.03459	0.9
95.01384	1.2
96.95357	0.6
96.96012	19.6
96.96965	23.1
97.02959	0.6
98.02481	0.5
99.00873	5.8
101.02440	0.8
103.92030	0.7
104.95606	0.5
105.01968	0.6
107.04987	1.2
108.02171	41.3
108.04564	1.2
109.02997	1.0
111.00868	3.3
119.00016	0.4
120.04592	1.1
121.02972	2.1
122.03733	1.0
123.00896	1.6
123.04517	100.0
124.01647	1.8
124.04842	2.1
125.02419	0.7
129.01935	16.3
135.06631	3.5
136.01648	8.9
137.02512	2.4
141.48845	0.5
149.02457	0.5
150.03217	2.8
151.04030	2.6
152.03542	0.6
152.91777	2.7
158.92534	0.7
159.02962	6.1
160.84210	15.0
165.01915	6.1
165.05525	2.1
166.78276	0.5
167.03510	2.8
167.90483	0.7
176.93555	1.5
177.01888	0.8
177.03975	2.5
180.02901	0.6
180.04292	8.4
181.00624	1.4
186.70493	0.5
192.85716	0.5
194.92757	1.7
195.03091	4.8
195.05058	33.4
195.06627	3.1
195.81099	6.8
196.03065	0.6
196.18655	0.4
200.72920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0564
Annotation	AminoDHQ
Peak:m/z	Relative Intensity
57.03445	3.1
58.02956	4.2
59.01135	1.5
59.01377	17.6
60.01699	1.9
69.03454	6.8
70.09744	2.0
70.10128	1.9
71.01392	4.1
71.04998	2.0
72.00902	2.6
72.04527	5.0
73.02940	4.5
73.04042	2.5
74.02462	2.1
78.95882	4.2
81.03432	1.4
82.02962	3.8
83.01376	10.8
83.05010	3.2
84.00911	1.5
85.02930	4.9
86.02455	2.4
86.06104	8.1
87.00859	3.9
87.92525	100.0
88.04015	2.8
88.92565	1.6
89.04380	1.5
94.02947	1.4
96.04529	6.1
97.02930	1.6
98.02468	75.4
98.06113	3.1
98.19952	2.4
99.00884	2.6
100.04016	4.2
100.07671	5.2
100.89542	1.6
102.05601	24.4
103.92015	41.3
104.92824	3.7
105.93581	15.8
108.04539	2.8
112.04014	5.9
113.02454	7.3
114.05603	70.6
114.09264	1.9
115.00308	2.2
115.05964	1.3
116.07173	21.5
119.05007	1.9
119.91491	4.7
123.93762	2.0
123.94635	31.3
124.03989	10.8
126.02768	2.6
126.05572	14.1
126.06413	4.9
127.03975	1.8
127.07638	1.7
127.55152	1.5
128.03525	21.1
129.01888	2.0
131.03363	1.4
137.52792	1.3
142.05086	88.8
142.08702	6.9
144.04568	2.8
144.06644	50.6
144.07523	1.9
144.10257	4.2
144.12244	2.8
150.04082	1.9
152.07118	2.2
153.06718	1.6
157.01393	9.4
160.04047	2.1
170.04568	6.2
170.89026	2.3
171.02911	2.1
171.07755	2.4
188.05608	67.3
188.09236	10.2
188.11136	8.7
189.07597	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	187.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04523	0.3
59.01374	87.0
60.01707	0.8
61.98849	0.5
64.90509	0.4
67.33652	0.3
69.59469	2.3
83.05006	0.4
97.06617	1.4
99.08149	24.2
100.08512	0.4
100.61909	0.4
123.08160	0.6
125.09714	6.6
126.10089	0.5
126.69508	0.4
127.07639	17.7
128.08012	0.5
128.67177	0.3
141.86824	1.9
142.48055	0.4
143.07137	1.1
143.10748	1.1
145.08691	100.0
146.09035	3.5
160.03987	0.5
187.06126	0.5
187.07736	0.9
187.09732	4.7
187.13408	0.6
202.08325	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	187.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.02960	1.0
59.01376	9.7
65.68203	1.1
67.01878	4.5
68.54310	0.7
70.62228	1.9
70.90944	0.6
71.01363	1.2
71.05003	1.3
71.42123	0.6
72.99316	1.0
73.02940	5.3
73.04065	39.9
74.02470	1.0
76.17954	0.7
76.40012	0.7
80.82526	0.7
81.03442	1.0
81.07098	1.2
83.01357	1.1
83.05018	2.3
85.02950	0.9
87.92528	11.3
88.98814	1.5
97.06591	2.3
99.00876	0.9
99.04500	4.1
99.08183	0.7
100.47283	0.6
103.92021	2.7
105.93580	1.5
111.00877	33.5
112.01263	0.8
113.06087	1.0
114.09205	2.0
114.69290	0.7
115.04008	1.7
123.94617	1.2
125.02425	1.3
125.06081	32.5
125.09713	7.6
126.06408	1.7
127.04013	2.0
130.08734	100.0
131.09061	2.7
141.10335	2.2
143.03506	5.4
143.07147	8.8
143.11891	60.7
144.12233	1.5
166.73807	0.7
169.05032	3.9
187.02486	0.9
187.04303	1.4
187.06143	15.1
187.10886	91.6
188.09392	0.7
188.11201	2.7
188.12817	1.3
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
59.01377	0.2
61.98844	0.2
65.99876	0.2
66.87830	0.1
69.91507	0.1
87.92534	0.6
102.03486	0.7
103.92063	0.1
116.05073	0.4
117.03483	0.2
127.07665	0.5
129.05600	0.3
133.72984	0.1
141.86774	0.9
144.04539	100.0
145.04872	3.3
159.03244	0.9
159.87859	0.2
160.04028	0.2
170.88962	0.2
188.03503	5.2
188.07451	0.1
189.07651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.082
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48940	0.4
59.01377	1.2
64.04250	0.3
67.01885	1.0
67.44820	0.3
69.98048	1.7
71.01377	1.0
72.01711	0.6
81.03429	1.6
90.02775	0.4
93.03455	1.3
94.09300	0.3
95.01382	0.8
95.05022	2.6
98.20628	0.4
102.02780	0.8
105.03471	0.5
108.02168	1.3
108.04536	0.4
109.02947	12.6
110.02451	0.6
112.06425	0.4
121.02947	0.8
122.03741	3.2
123.04514	100.0
123.25939	0.3
124.04831	2.8
131.03769	0.4
134.02493	1.5
134.03644	0.4
137.02505	0.7
138.01973	0.8
138.05588	0.5
139.04007	0.7
148.03981	0.4
149.04840	0.9
150.05592	87.9
151.05927	2.6
152.07182	0.4
182.08333	4.2
183.03049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0613
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.35782	1.0
57.77599	1.2
59.01375	54.5
62.80236	1.1
67.96860	1.1
69.03440	2.4
69.67948	1.0
70.02966	2.0
71.01375	13.0
71.62016	1.2
78.95902	1.7
82.02956	1.3
84.04533	9.9
85.02918	1.6
91.60338	1.0
94.02976	4.5
95.05006	2.9
96.00922	2.2
97.01678	4.9
97.06594	2.6
98.02461	3.7
103.24891	1.0
103.92054	1.6
105.40023	0.9
110.02470	3.1
111.00882	1.0
112.04037	100.0
112.07649	2.0
113.02484	1.9
113.04349	2.0
113.06050	1.4
116.43964	1.0
122.06107	9.9
123.08209	2.2
124.04033	74.0
125.02401	1.4
125.04360	1.3
137.02405	2.1
138.02795	4.5
140.07166	32.9
140.89717	1.2
141.05595	1.8
141.09201	2.2
154.05128	2.3
166.02257	16.4
166.05060	6.8
184.06123	91.9
184.11674	2.1
185.06410	2.2
185.08127	2.3
185.11786	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	187.0973
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
59.01374	83.8
60.01715	0.7
65.71379	0.5
69.49249	2.7
80.31351	0.4
83.05032	0.6
97.06596	0.5
99.08151	23.8
100.08430	0.6
114.70454	0.4
120.63852	0.5
125.09715	7.8
127.07645	15.3
141.86850	0.9
143.07080	0.5
143.10793	0.7
144.04518	1.8
145.08691	100.0
146.09058	2.8
168.88898	0.6
187.08148	0.6
187.09724	3.5
188.07072	0.9
206.71184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0974
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03444	3.5
63.28813	0.2
69.03451	0.5
69.28989	1.9
80.02662	0.3
83.05045	0.5
95.05036	0.6
97.06582	12.0
123.08157	5.3
125.09715	100.0
126.10056	3.4
134.97008	0.2
141.86829	0.3
143.10765	1.5
163.29118	0.2
169.08670	2.6
173.19812	0.2
187.09740	48.8
188.10075	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	177.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
65.00317	0.5
69.40463	2.5
71.01351	0.5
77.03960	9.0
78.04327	0.3
82.54867	0.3
89.03967	2.5
90.63182	0.3
93.03433	1.8
95.05019	12.9
104.02697	0.3
105.03454	40.9
106.03729	0.7
117.13531	0.3
121.02960	1.3
121.55925	0.3
123.04515	3.3
129.01906	0.4
132.02237	1.7
133.02946	100.0
134.03644	3.2
135.04536	0.4
137.02448	1.3
139.04042	0.4
139.16869	0.4
149.02437	0.8
149.06094	0.5
162.03218	5.6
177.01909	4.2
177.05518	3.0
178.02705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
62.03022	0.3
64.13841	0.2
69.63609	1.0
69.64041	1.0
72.31675	0.3
73.79707	0.2
77.03969	1.1
81.03446	1.7
89.03961	7.1
93.03451	1.0
95.05019	0.5
98.19919	0.5
105.03452	12.2
107.01386	0.7
108.27557	0.3
109.02968	0.5
121.02937	1.2
133.02946	23.2
134.03232	0.4
139.03976	0.4
149.02405	2.8
162.03223	0.8
177.01910	100.0
178.02243	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01700	0.2
54.77445	0.3
59.01383	0.8
59.95159	0.2
63.65739	0.2
70.46642	0.6
87.00881	0.4
93.44132	0.2
96.96037	0.2
107.69965	0.2
119.93743	0.9
134.82950	0.3
134.96091	47.7
135.96175	2.2
136.94009	100.0
137.94089	5.1
138.94400	0.2
151.92715	14.9
152.92783	1.0
154.95021	0.3
178.95055	74.9
179.95168	4.2
182.94452	0.2
196.96092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0611
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
56.94821	0.5
57.03435	1.6
59.01373	6.2
64.35765	0.5
69.07754	0.5
69.38197	1.2
69.38599	3.3
70.17685	0.5
71.01395	0.7
71.05016	0.5
78.95875	0.6
85.02941	0.8
85.06586	43.0
86.06905	0.8
87.00850	0.6
87.04504	1.9
113.06081	39.6
114.06419	1.3
115.04005	100.0
116.04381	2.8
116.15216	0.5
126.11718	0.6
129.05551	1.9
131.05023	0.5
131.07121	9.2
132.04555	0.6
132.98241	0.6
157.05038	8.7
159.09949	0.6
174.88977	2.5
175.06108	61.2
176.03485	0.7
176.06430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89980	0.2
57.03444	0.6
59.01376	24.2
66.03480	0.5
68.99819	0.2
69.03463	0.3
69.95065	0.7
71.01380	1.0
72.99323	0.4
75.00879	0.4
78.95900	5.7
84.04568	0.2
85.02955	0.5
86.06920	0.2
87.00883	1.2
87.04526	0.2
88.01222	0.5
89.02444	0.2
89.03961	0.2
97.02930	0.3
98.02473	0.4
99.00908	0.7
105.03464	0.4
109.02950	0.8
111.00897	0.2
114.05602	0.2
115.04009	0.3
116.04325	0.2
117.01923	0.2
120.00893	0.2
120.04479	0.2
121.02974	1.0
121.06605	0.2
129.01944	0.6
132.04561	0.3
132.07420	0.3
133.01672	0.2
133.02950	1.2
133.05331	0.5
133.06587	0.5
134.02457	1.7
134.03459	0.3
135.04489	1.3
141.01952	0.5
146.06152	0.2
147.03217	0.4
148.00424	0.4
148.04047	2.8
149.02423	0.9
149.06082	5.6
158.04567	0.7
158.06062	0.2
158.92532	1.1
159.03014	1.0
159.04512	1.1
160.04016	3.9
160.05310	0.2
161.04805	8.9
162.03215	5.3
162.04669	0.3
162.05212	0.3
174.05603	1.7
174.99231	0.2
175.06238	0.5
176.03804	4.2
176.07150	100.0
176.82603	0.7
176.93587	0.8
177.01907	2.5
177.04027	0.6
177.05580	1.0
177.07498	3.3
193.03722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77963	0.3
57.03447	2.1
59.01374	100.0
60.01708	0.9
68.99818	0.4
69.03451	0.7
70.89113	0.7
71.01375	4.4
71.05016	0.4
72.00910	0.7
72.99308	1.4
73.02940	1.1
75.00871	1.4
78.95464	0.3
78.95896	7.2
83.01376	0.7
84.04550	0.4
85.02947	2.2
86.02467	0.5
87.00871	5.0
87.04517	1.3
88.01206	0.3
89.02444	1.3
97.02933	0.9
98.02470	1.8
99.00889	2.4
102.05602	0.8
104.03512	0.6
113.02436	1.3
114.05597	1.1
115.00381	0.9
115.03993	1.4
116.07129	0.3
117.01933	0.9
118.05101	1.0
118.98077	0.4
121.02964	0.4
129.01933	2.9
132.99094	0.9
133.02939	0.7
133.05077	1.1
134.02483	0.3
135.04480	0.4
141.01938	1.3
146.04594	0.4
148.04024	1.3
149.02415	0.3
149.06078	2.1
150.98340	0.7
158.04573	1.8
158.92502	1.3
159.02977	3.2
159.04288	0.4
160.04042	1.7
161.04839	2.5
162.03230	2.2
163.01385	0.4
174.05618	0.8
176.03654	1.8
176.07149	26.3
176.93579	1.1
176.98083	1.3
177.01913	1.4
177.04010	1.2
177.05420	0.5
177.07695	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	177.0192
Annotation	Esculetin
Peak:m/z	Relative Intensity
59.01360	0.2
71.29090	0.3
73.70867	0.2
74.52139	0.2
77.03958	0.5
81.03444	1.8
82.01316	0.2
84.18832	0.2
89.03963	7.0
90.04318	0.2
93.03426	1.1
95.05018	0.8
105.03451	12.0
106.03817	0.2
107.01371	0.7
109.02928	0.5
121.02944	0.9
133.02946	21.7
134.03285	0.7
139.03986	0.4
149.02425	2.9
150.87357	0.2
162.03223	0.6
169.39766	0.2
176.01057	0.2
177.01913	100.0
178.02249	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	175.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.5
59.01375	71.9
64.68242	2.4
64.90649	2.3
65.64739	2.8
68.99809	5.9
69.03439	4.6
70.89600	5.6
71.01380	24.4
72.99294	6.8
73.02939	12.4
75.00865	7.4
75.90380	2.9
78.95876	4.6
85.02953	7.7
85.06578	7.3
87.00874	42.9
87.04510	3.6
87.65455	2.5
93.03404	2.9
96.99297	2.8
99.00853	3.7
100.98797	44.4
101.02441	12.2
109.16895	2.5
113.02374	3.5
113.06055	15.7
115.00368	20.6
115.03998	19.0
117.01928	8.7
124.98814	6.6
127.97525	31.7
129.01987	3.5
130.04327	2.3
130.99832	3.8
131.03581	2.7
139.35208	2.4
141.52849	2.6
142.99831	6.6
146.97089	5.0
147.04547	4.1
148.04054	11.6
148.98610	46.5
157.04980	4.7
160.41161	2.9
174.00154	2.7
174.82822	100.0
174.88905	6.2
174.96536	8.2
175.02426	10.4
175.03870	5.7
175.06166	23.8
175.07507	4.4
175.82762	3.8
176.03546	16.3
176.07184	21.3
185.40445	2.6
191.12146	2.8
194.48447	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	173.0817
Annotation	Suberic acid
Peak:m/z	Relative Intensity
51.03279	0.3
53.24347	0.3
56.41336	0.3
57.03444	3.9
59.01376	4.3
67.01880	0.7
69.03437	0.6
70.76904	0.9
71.01375	0.4
73.02943	0.3
81.03452	0.6
83.05019	12.6
85.02930	0.3
85.06593	0.7
93.03445	3.7
106.52410	0.3
108.48587	0.3
109.06577	3.3
111.00937	0.3
111.08152	100.0
112.08494	2.2
113.06099	0.7
129.09216	5.5
131.07124	4.1
143.47722	0.3
155.07109	0.7
173.08191	41.0
174.08542	1.0
183.24533	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.118
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
59.01359	0.8
60.99301	0.5
61.88124	0.3
67.01884	3.7
69.03445	1.1
71.01382	1.0
73.02927	0.3
85.02950	0.4
85.98558	0.3
87.12596	0.3
93.03450	12.9
94.03782	0.7
94.99287	0.3
97.06561	0.5
99.00863	0.5
111.00851	0.9
111.04494	1.5
111.08161	0.6
125.09722	0.4
127.11279	9.5
128.05054	2.0
129.01962	0.3
129.09216	0.5
130.06612	16.9
131.07135	0.4
135.75726	0.3
141.05576	0.7
152.34206	0.3
155.10765	2.1
158.03688	0.4
171.10260	0.9
173.04623	1.8
173.11806	100.0
174.05551	1.1
174.12189	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	174.0558
Annotation	3-Indoleacetic acid
Peak:m/z	Relative Intensity
59.01369	1.1
71.01363	0.5
71.63454	0.5
87.00882	0.6
94.03796	1.7
97.67467	0.4
128.05054	13.0
129.05429	0.9
130.06612	100.0
131.06970	4.0
159.03171	0.5
160.01611	0.5
172.04030	3.4
174.05569	4.3
174.88974	1.0
175.03973	0.4
175.05948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0089
Annotation	trans-Aconitate
Peak:m/z	Relative Intensity
53.00296	0.9
55.01879	1.6
57.03442	1.6
58.02988	0.6
59.01380	3.5
67.01881	5.6
68.99816	3.9
71.01377	24.3
71.37980	0.7
71.38316	0.9
72.99297	6.2
73.02939	2.6
74.02438	1.0
74.92385	0.6
78.95880	3.0
81.40171	0.6
83.01374	9.1
85.02944	72.7
86.03288	1.6
87.00874	1.9
87.05656	1.0
93.03453	1.5
96.96009	1.6
96.96946	5.7
96.99302	1.4
99.00869	10.4
101.02428	5.9
111.00872	100.0
111.04508	1.5
112.01223	2.3
112.98801	23.5
115.00320	2.0
117.25774	0.6
124.98802	5.9
128.07098	0.6
129.01933	18.4
129.10287	1.2
129.99388	0.6
131.08255	10.7
131.09143	1.0
140.98314	1.0
141.25597	0.6
142.99852	28.7
154.99846	11.0
172.83032	1.9
173.00909	9.8
173.04510	1.2
173.09268	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	171.1027
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
55.01866	1.4
59.01368	1.5
60.99309	0.8
61.98822	3.1
62.43696	0.4
65.00324	1.1
68.99559	13.1
69.87833	0.3
69.96526	1.6
71.01376	0.7
71.05004	0.7
74.96176	2.9
76.95757	18.5
79.02461	0.4
83.01376	0.6
83.05018	1.1
84.14332	0.3
88.98803	3.2
89.02440	12.1
96.96029	2.1
97.06571	0.5
99.00884	4.1
99.04511	0.6
99.08147	0.7
100.04071	0.5
105.37859	0.4
109.02960	0.5
109.06559	0.8
111.00869	0.5
112.98564	16.6
113.08507	0.4
125.09689	2.1
127.00369	0.5
127.02959	0.4
127.07670	4.5
127.11273	7.0
127.27038	0.4
128.90013	0.7
130.08743	0.7
136.86320	0.4
143.97682	0.4
144.04562	0.4
152.98271	0.8
153.09198	1.7
171.01927	2.3
171.10258	100.0
171.13757	3.5
172.04016	0.5
172.10622	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	172.0978
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02980	1.5
59.48465	0.3
67.01878	0.5
69.55154	0.6
69.55568	1.4
74.68130	0.3
78.13914	0.3
78.57468	0.2
79.38478	0.4
79.46958	0.3
82.06577	0.3
82.38436	0.4
85.68545	0.3
85.86169	0.3
93.03482	1.2
95.05258	0.3
104.85728	0.2
128.10805	3.0
130.08725	100.0
131.09065	2.4
160.06102	0.3
172.09756	17.0
173.10057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.28421	0.2
58.02748	0.5
58.03025	1.2
59.01376	12.3
60.99324	0.3
67.01889	2.2
69.03474	0.6
69.48598	0.9
69.49023	1.0
71.01421	0.7
72.99355	0.2
73.03003	0.3
82.06678	0.5
83.01389	0.2
85.02997	0.7
85.06573	3.1
93.03451	7.4
93.06585	0.3
111.00896	1.1
111.04530	0.7
111.08118	0.2
112.04044	0.3
113.06072	2.0
128.07979	0.9
128.10806	1.8
128.11621	0.3
128.24370	0.3
130.08728	100.0
131.07129	15.5
131.09079	2.3
139.16519	0.2
140.14320	0.2
149.43690	0.2
149.44981	0.3
172.03944	0.5
172.09717	15.1
173.04489	0.8
173.08191	0.3
173.09999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.012
Annotation	Toluene-4-sulfonate
Peak:m/z	Relative Intensity
55.01859	0.4
56.71359	0.3
57.03432	0.3
59.01371	0.8
65.00288	0.3
71.01376	0.5
71.62378	0.4
76.85825	0.3
78.95886	0.4
79.95727	19.7
80.96520	0.3
83.01372	0.2
83.05009	0.7
85.02948	0.7
97.02920	0.3
99.00864	0.5
99.04493	0.7
106.04205	0.3
107.05022	16.0
108.05332	0.5
109.02928	1.0
109.06578	1.8
111.00852	0.6
113.02480	0.3
116.05034	0.4
123.04455	0.3
125.02482	0.4
125.09698	1.1
127.04011	0.4
127.07642	6.2
127.11310	2.2
130.08707	0.7
141.00812	0.3
144.04541	2.1
153.01874	0.9
153.09200	0.6
153.68130	0.2
171.01189	100.0
171.06680	5.2
171.10252	33.7
171.11375	0.5
171.11813	0.4
171.13770	1.7
172.01532	2.9
172.03995	0.9
172.10609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0662
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
54.28431	1.0
54.81864	1.3
55.01873	1.4
57.03437	2.2
58.02963	2.3
59.01366	5.1
59.90505	1.1
65.00292	1.3
68.99838	1.2
71.01357	1.7
71.05017	1.2
71.62314	1.8
73.02962	1.2
75.13583	1.1
78.95895	2.4
83.01410	1.6
83.05000	3.0
84.26158	1.3
85.02924	5.0
97.01163	1.9
97.06596	2.5
99.00854	3.0
99.04496	3.1
99.08106	2.4
109.06586	13.2
111.00864	2.3
111.04489	1.9
112.04046	1.6
113.02467	1.4
116.05057	2.1
125.09740	3.7
127.00343	2.0
127.03936	1.9
127.07645	92.2
127.11300	7.0
128.07980	4.4
128.10793	4.7
130.08728	78.1
141.01929	2.2
143.05051	1.4
144.04559	11.7
152.98265	2.1
153.05551	3.0
153.09109	1.4
171.02005	13.0
171.04395	2.6
171.06631	87.0
171.10254	100.0
171.13876	12.1
172.03972	5.8
172.06995	2.4
172.09660	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	169.0142
Annotation	Gallic acid
Peak:m/z	Relative Intensity
61.98825	2.0
65.00330	0.5
65.99840	0.4
67.01883	0.9
68.99809	4.1
69.03450	5.8
71.37701	0.5
78.84628	0.4
79.01902	1.3
81.03439	2.5
81.80268	0.4
83.01404	1.0
84.95100	2.4
87.00886	1.5
95.01382	1.1
96.96012	0.9
96.99326	1.4
97.02950	6.0
97.06587	0.4
98.02500	0.9
102.35729	0.3
107.01387	0.7
107.05020	0.4
123.00884	0.9
124.01675	1.4
125.02444	100.0
125.09741	0.5
126.02776	3.0
132.86798	5.4
134.04712	0.3
134.86546	16.4
151.00366	1.1
168.99101	6.7
169.01411	35.5
169.83409	2.9
169.84705	0.5
170.01888	0.7
183.59694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0348
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
57.60537	0.4
65.00320	1.4
66.60214	0.3
69.71997	2.2
80.02679	1.5
91.01893	7.3
95.01368	0.8
98.19874	0.7
108.02168	52.1
109.02493	1.4
111.00948	0.5
114.23866	0.4
120.00385	0.4
123.00874	0.6
123.04518	28.6
124.01652	0.9
124.04839	0.9
152.01138	100.0
153.01463	3.0
167.03477	26.5
168.03839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64291	0.3
65.00315	1.1
69.26018	3.0
80.02677	1.5
91.01891	6.8
95.01383	1.3
108.02168	51.4
109.02502	1.0
123.00901	1.1
123.04517	27.4
124.01652	0.5
124.04870	1.0
152.01140	100.0
153.01486	2.9
167.03485	23.3
168.03822	0.8
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
58.02971	100.0
59.03313	0.5
61.98823	2.0
68.99818	0.3
70.02987	0.7
70.99400	0.5
81.03448	0.3
82.95407	3.1
83.05018	0.3
87.00887	0.8
97.02916	0.3
98.12938	0.3
108.04550	0.7
109.02476	0.6
122.80427	0.3
123.04471	0.3
124.04839	0.6
125.02443	2.6
126.90361	1.7
129.59038	0.2
132.86777	0.9
139.03926	0.3
150.05626	0.4
151.11246	0.4
153.01563	1.2
162.39067	0.3
167.90529	0.3
168.06563	0.5
168.13902	11.1
168.83559	0.7
168.91367	0.8
168.98915	1.1
169.01370	1.4
169.05058	0.3
169.14235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
71.39626	1.0
72.99301	31.2
75.00890	0.8
77.03964	0.9
77.66445	0.4
81.57861	0.5
91.05532	2.2
93.03454	1.0
101.03973	1.4
103.05515	4.1
104.78923	0.4
114.98965	0.6
117.03447	1.0
119.05016	34.6
120.05376	1.3
121.02946	12.4
122.03786	0.6
123.34286	0.4
130.19159	0.5
137.02417	1.3
147.04507	100.0
148.04868	4.8
149.41893	0.5
149.69411	0.5
150.03195	5.6
151.00377	0.9
165.01910	1.9
165.05548	34.8
165.09172	0.8
166.05885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
66.03503	0.6
67.01917	0.6
69.44934	0.8
69.45338	2.7
71.01390	0.8
72.99305	30.5
75.00880	1.5
77.03975	1.9
81.03469	0.5
85.02985	0.5
91.01904	0.6
91.05554	1.4
93.03480	1.8
98.19910	1.0
101.03979	1.4
103.05536	2.7
109.02959	0.9
119.05024	34.4
120.05373	1.2
121.02950	35.6
121.05634	1.2
121.06578	0.9
122.02507	0.6
122.03316	1.3
123.00912	0.8
123.04532	1.1
135.04456	1.1
137.02415	3.2
138.05615	0.6
147.04512	100.0
148.04860	5.1
149.00981	0.6
150.03201	5.3
151.00394	1.4
164.63519	0.4
164.89793	0.5
165.01933	5.2
165.04234	1.3
165.05551	37.3
165.09233	1.7
166.05910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	Orthoform
Peak:m/z	Relative Intensity
56.60847	0.1
59.52458	0.2
61.83067	0.2
66.03474	0.7
71.62059	0.3
72.31324	0.1
78.04259	0.2
80.02621	0.2
80.05047	0.4
81.03456	0.2
91.01901	0.5
92.05015	0.2
93.03459	0.7
93.99328	0.3
94.02973	0.3
95.01379	0.8
100.51475	0.2
107.77523	0.2
108.02163	4.0
108.04562	0.3
109.02921	0.2
120.04518	0.2
121.02943	10.0
122.02489	0.3
122.03287	2.9
122.06087	0.5
123.00853	0.6
123.03273	0.2
123.04523	2.9
123.05493	0.2
123.08156	0.3
124.01608	0.3
124.03966	0.3
125.02482	0.3
136.05287	9.2
137.02432	0.5
137.05656	0.2
138.05591	0.5
139.03981	0.3
149.02411	0.4
151.00305	0.6
151.02733	20.3
152.01149	8.9
152.03125	0.5
165.83699	0.4
166.05078	100.0
166.83307	1.3
167.03477	3.1
167.05423	3.4
167.06978	0.3
183.01703	9.5
184.01976	0.2
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
50.75784	0.6
69.63886	3.9
72.00907	31.5
73.27032	0.6
91.05560	1.6
103.05545	3.6
119.05045	1.3
146.06082	0.9
147.04514	100.0
148.04843	4.0
164.07150	66.3
165.07478	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	165.0192
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
52.53918	0.2
55.01875	1.7
57.03464	0.3
57.37638	0.2
59.01379	2.5
65.03899	0.2
65.32436	0.2
70.77206	0.6
71.01380	1.7
72.27988	0.2
72.99306	2.2
73.02937	0.3
75.00867	42.7
76.01213	0.6
77.03961	5.0
77.20587	0.2
85.02952	0.7
87.00867	3.2
88.98811	0.6
89.02433	1.2
92.05006	0.2
93.03445	2.0
94.02971	0.5
96.29598	0.2
99.00859	0.5
101.02443	0.5
103.92017	0.7
105.01919	2.1
117.01915	0.9
121.02946	100.0
122.02452	1.7
122.03299	2.8
129.01932	6.2
137.02429	1.0
147.02972	2.0
147.89223	0.2
150.03233	0.6
164.88199	0.3
164.89534	2.8
165.01909	8.8
165.04028	20.3
166.02164	0.3
166.05011	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0192
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
51.54972	0.4
59.07739	0.3
68.01016	0.3
69.59868	1.9
75.00864	0.4
77.03960	1.4
89.91356	0.3
93.03458	1.8
108.02195	0.5
121.02950	100.0
122.03246	3.1
135.04553	0.4
137.02455	0.3
147.04536	0.4
150.03217	1.4
156.53313	0.4
165.01915	9.5
165.05528	0.5
166.02205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
55.01878	4.2
59.01371	4.6
71.01379	4.3
71.60979	0.5
72.99305	5.8
73.02946	0.8
75.00867	100.0
76.01194	1.1
77.00654	0.4
79.71447	0.4
85.02940	1.4
87.00877	4.9
89.02448	2.8
93.03455	1.0
99.00896	1.3
101.02438	1.4
105.01929	3.7
117.01931	1.5
121.02953	1.4
129.01930	12.9
136.04889	0.5
147.03009	3.7
150.03207	1.1
165.04024	40.5
166.01776	0.5
166.05011	1.4
169.05397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
50.93959	1.1
52.37676	1.2
52.91940	1.1
55.01867	1.4
57.03451	11.8
58.00592	2.0
59.01375	47.2
59.88049	1.2
60.56247	1.1
62.75196	1.1
68.29440	1.1
70.56582	4.5
71.01381	31.9
71.05014	46.5
72.99307	3.9
73.02942	18.7
75.49954	1.4
81.03456	3.9
83.01389	7.2
85.02944	33.8
87.00879	18.9
89.02432	8.9
91.69234	1.4
95.01373	2.5
97.02930	8.7
99.03877	2.7
99.04516	48.5
101.01774	1.5
101.02443	32.3
113.02441	4.4
115.04002	23.8
117.05576	38.2
123.30347	1.4
124.71688	1.5
125.02421	1.8
131.03502	16.3
143.03487	64.1
144.03795	1.7
161.04544	100.0
162.04919	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
51.34366	1.0
56.60201	1.0
57.03441	1.4
57.83954	1.1
58.40125	1.2
59.01375	7.8
61.98828	7.0
69.27474	0.9
69.53148	5.2
69.53561	2.0
71.01374	4.4
71.32918	1.0
73.02961	1.4
74.70827	0.9
85.02954	6.2
89.02426	1.8
90.26505	1.1
93.00111	1.1
101.02435	8.9
116.92094	1.4
118.14423	1.0
118.99248	8.0
119.05016	22.9
120.05304	2.1
135.00911	1.6
135.04562	1.9
163.00354	4.1
163.03992	3.1
163.06107	15.5
163.11272	100.0
164.07214	2.1
164.11591	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	153.0193
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
65.03961	15.1
66.04281	0.4
67.01880	6.9
69.69373	1.0
69.69780	1.6
91.01888	4.0
99.47523	0.4
107.30624	0.4
107.63951	0.4
109.02945	100.0
110.03275	2.7
123.04492	1.2
133.50281	0.4
135.00874	30.4
136.01230	0.7
153.01926	80.7
154.02252	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	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
61.98824	2.2
65.03954	0.7
66.03488	1.9
68.99827	0.6
69.03455	2.0
71.01385	1.2
71.05003	1.6
81.03458	4.3
82.02975	1.6
83.01382	1.1
83.05019	1.0
85.02924	0.8
93.03468	1.6
94.92509	0.8
95.01385	0.8
95.05036	2.8
96.04550	0.6
96.96032	2.0
96.99338	0.7
97.02952	1.3
97.06583	17.1
97.07187	1.1
98.02481	1.2
98.06911	0.7
99.08137	5.6
102.50728	0.7
107.01336	0.7
108.02177	7.1
109.02953	52.6
109.06580	2.5
110.00094	7.2
110.02599	0.7
110.03294	2.6
110.92624	1.6
111.04552	1.1
112.04060	1.2
118.89951	0.7
122.03757	2.8
123.00950	1.4
123.04525	100.0
124.01657	1.7
124.04030	3.9
124.04864	6.2
124.98882	0.8
125.02440	6.5
125.06129	0.8
135.04521	3.8
136.04033	1.5
137.09746	1.7
137.99593	8.0
151.00360	3.0
151.11310	1.7
152.91769	1.4
153.01942	27.4
153.02959	1.4
153.05562	21.8
153.07573	2.1
153.12845	60.0
153.86861	41.7
154.01320	1.2
154.02420	2.0
154.04939	3.2
154.06184	0.7
154.13167	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	157.0869
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
57.03426	0.8
59.01373	16.2
67.05527	1.5
69.03439	1.5
71.01378	13.3
83.05039	1.7
84.99305	5.2
85.02943	1.0
85.11964	0.6
90.22958	0.6
93.07072	1.3
95.05021	0.7
97.02911	0.7
99.00867	1.0
106.77395	0.6
109.06578	7.4
111.08141	5.4
113.02455	0.7
113.06077	1.3
113.09718	1.6
121.06589	1.3
127.00359	3.5
127.07641	40.9
127.52907	0.9
128.07956	1.8
128.98341	0.8
139.07631	26.0
140.07930	1.2
155.07091	0.9
156.89490	1.1
157.01407	1.2
157.08682	100.0
157.12270	5.5
158.03590	5.7
158.06078	0.9
158.09070	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	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01878	0.4
57.03441	1.8
58.02971	4.2
59.01374	4.9
59.99313	0.3
68.99804	0.4
69.03444	0.9
69.87514	1.6
69.87863	0.6
71.01366	1.8
71.05009	1.0
71.31139	0.3
71.36276	0.3
72.99318	1.1
73.02930	0.8
75.78542	0.3
79.87614	0.3
79.99233	0.4
83.01350	0.5
85.02966	1.6
86.02452	0.3
86.06110	1.4
87.00868	0.7
87.04518	0.9
88.04043	0.7
91.16347	0.3
91.18164	0.3
97.02941	2.7
97.06600	0.4
99.00863	0.9
99.04514	0.4
99.99802	0.3
101.02447	0.6
103.18536	0.3
103.92027	1.0
111.00867	1.0
112.04041	0.6
113.02438	1.1
114.05582	1.3
114.06323	0.4
114.09239	6.2
115.04014	2.0
116.07166	100.0
117.05576	1.5
117.06850	0.3
117.07535	2.4
129.01933	0.8
131.03543	0.5
140.07126	0.5
141.01921	1.4
158.03488	0.4
158.04587	1.0
158.08208	19.9
158.89267	2.3
158.92447	0.4
159.03003	3.1
159.06577	0.7
159.08580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0352
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
55.01843	0.2
66.03481	1.3
71.01128	0.6
80.96520	0.2
108.02164	0.5
108.04539	0.4
109.02946	2.6
110.00073	0.4
117.73749	0.2
121.02928	0.7
122.03726	36.0
123.04583	4.0
137.02029	0.6
137.99556	0.4
138.17720	0.3
138.18919	0.2
152.03517	100.0
152.06963	2.3
153.02013	1.4
153.03870	3.3
153.05545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71608	0.2
58.09688	0.2
59.01385	0.6
66.03465	0.4
71.01411	0.3
71.61469	0.3
72.01730	0.2
78.95903	1.1
79.48966	0.2
79.95715	0.2
80.96527	0.3
81.03473	0.3
85.99831	0.2
89.02432	0.3
90.02750	0.4
102.02801	0.3
102.05569	0.3
108.02177	0.7
108.04572	1.2
108.94666	1.0
109.02962	2.3
110.00090	0.3
110.92607	1.7
116.81946	0.2
117.64898	0.2
122.03731	49.5
122.58772	0.2
123.00887	0.3
123.04585	7.5
124.01649	3.6
124.04884	0.3
125.02479	0.5
136.01656	1.1
137.02448	6.4
137.99609	0.4
138.02837	0.4
152.07159	100.0
152.93614	1.3
152.99619	0.5
153.01936	1.5
153.05591	0.4
153.07495	5.2
154.02719	6.1
155.03030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0717
Annotation	Dopamine
Peak:m/z	Relative Intensity
52.74237	0.1
62.18265	0.1
66.03488	0.2
71.61430	0.2
72.32956	0.1
108.02158	0.7
108.04533	0.2
109.02958	0.3
121.02905	0.3
122.03730	49.2
123.04597	4.8
124.01656	3.2
124.04836	0.2
136.01659	0.9
137.02441	5.4
138.02768	0.2
139.56418	0.1
148.60614	0.1
152.07156	100.0
153.01933	0.6
153.05638	0.1
153.07504	4.0
154.02702	5.6
155.03026	0.2
162.06395	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.1
71.01378	1.2
71.62962	0.8
76.81679	0.6
87.00896	0.9
89.02436	2.3
93.03445	2.8
95.01372	1.5
95.05016	1.4
105.03455	0.8
106.04279	1.1
121.02949	8.6
129.38908	0.7
134.03732	100.0
135.03276	0.6
135.04076	4.7
149.02446	14.3
149.04712	1.4
149.06070	5.6
150.00154	1.7
150.03235	1.5
150.05629	1.3
151.75345	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.9
55.01869	1.7
56.08750	0.9
56.55156	0.9
59.01378	6.9
63.02359	1.2
65.00323	1.9
65.99853	0.9
66.03478	3.7
67.01886	18.3
68.99819	2.5
69.03446	11.6
71.01372	9.4
71.61935	1.5
72.99306	1.1
79.01892	8.0
80.02667	5.8
81.03455	26.2
82.28349	0.9
83.01395	1.5
89.02450	6.0
89.16553	0.9
94.00412	0.8
95.01381	67.3
95.05031	1.1
96.01692	2.1
97.02958	7.7
101.02436	4.9
107.01384	64.1
107.05044	4.9
108.02181	48.9
108.04555	1.8
109.02953	3.9
119.03606	1.0
121.02946	1.5
122.03729	9.4
123.00879	100.0
123.04512	13.5
124.01183	2.6
124.04880	0.9
125.02438	51.0
126.02810	2.3
136.01648	58.2
137.01973	2.9
149.71700	0.9
151.00365	20.4
151.03996	59.1
151.05020	2.1
151.06006	2.3
152.01149	28.3
152.03241	0.9
152.04433	1.5
152.07164	15.1
154.02689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.04
Annotation	Vanillin
Peak:m/z	Relative Intensity
63.05421	0.2
69.03441	0.2
71.01376	0.3
71.35653	0.3
92.02647	0.4
95.01384	0.7
97.02951	0.3
101.02410	0.2
108.02171	5.0
112.81060	0.2
122.03771	0.4
123.04540	0.5
136.01649	100.0
137.01971	3.2
151.03995	10.3
152.04359	0.4
152.07243	0.3
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
61.84043	0.2
66.03476	1.7
70.55956	0.2
71.13536	0.6
80.05046	0.3
81.03479	0.3
84.66408	0.3
84.95844	0.2
108.02170	0.8
108.04579	0.7
109.02952	3.0
110.00082	0.5
121.02943	0.7
122.03731	34.4
123.04570	5.1
124.01657	0.3
125.02410	0.3
136.01633	0.3
137.01961	1.5
137.99594	0.7
152.03519	100.0
152.07060	4.3
153.01997	2.1
153.03882	3.9
153.05539	1.1
155.25578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0452
Annotation	trans-Cinnamate
Peak:m/z	Relative Intensity
53.02760	2.7
57.03455	26.4
59.01377	25.2
61.98817	4.0
70.99153	7.1
71.01381	51.6
71.05001	3.5
72.99300	4.2
73.72913	2.8
75.00878	9.5
84.26435	3.0
85.02948	67.9
87.00873	100.0
92.05094	6.4
99.00860	34.1
101.02428	8.0
103.04018	7.8
103.05511	8.1
119.05043	10.0
120.17216	3.1
120.71609	2.9
125.65596	3.4
129.01901	19.6
132.05751	3.4
132.43826	3.3
147.01958	5.1
147.02998	47.6
147.04509	77.5
147.05627	5.6
147.06590	6.8
148.04016	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	149.0454
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
59.01382	12.6
64.44195	1.9
69.03445	3.3
69.88220	9.3
71.01377	27.1
71.39089	1.7
72.99306	7.6
73.02940	30.4
75.00869	42.3
75.66593	1.5
87.00875	11.7
89.02438	100.0
90.02818	2.4
90.65939	1.5
93.85491	1.5
95.36443	1.5
98.19953	2.6
98.94255	1.6
103.04004	9.0
128.51653	1.8
131.03482	11.1
149.04539	69.9
150.04837	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	149.0454
Annotation	beta-L-Arabinopyranose
Peak:m/z	Relative Intensity
55.57006	1.6
59.01379	11.0
69.03455	3.8
71.01380	33.0
71.18411	3.7
72.99303	6.1
73.02940	27.0
75.00870	48.8
87.00864	14.3
89.02439	100.0
102.25043	1.6
103.04027	11.1
123.04533	5.0
131.03508	11.4
133.01521	4.8
142.44101	1.6
149.02611	2.6
149.04536	68.7
150.04170	1.5
150.05626	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	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03882	1.0
57.03447	18.8
57.26164	1.1
59.01374	6.7
70.56535	2.7
70.56892	2.3
71.01356	1.8
71.05006	1.4
72.99317	1.2
75.00838	1.9
85.02944	63.3
87.00867	100.0
88.01224	1.5
98.20539	1.4
99.00873	1.6
101.02428	2.8
103.04007	9.5
120.04617	1.8
129.01923	18.7
147.02988	40.5
147.06659	2.9
148.04053	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
59.01374	35.7
71.01380	92.8
71.39370	15.0
75.00878	7.4
78.00645	6.8
85.02946	8.7
89.02451	5.9
99.00882	52.0
103.05520	14.1
115.00414	7.2
119.05017	18.6
131.78938	6.4
147.01939	6.5
147.03018	10.1
147.03212	11.0
147.04518	100.0
148.04031	25.0
167.14539	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1077
Annotation	Valproic Acid
Peak:m/z	Relative Intensity
51.03998	2.0
59.01383	1.7
61.98825	3.8
70.62531	4.0
71.01370	7.7
85.02949	4.1
97.02921	1.7
101.30466	1.9
125.02415	1.9
142.58954	1.7
143.03487	5.8
143.10762	100.0
144.04546	8.2
144.06624	2.7
144.11102	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	145.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49163	4.6
57.03435	14.0
71.01365	13.0
71.37386	5.4
73.02930	10.0
74.02473	10.2
83.01371	4.3
84.04536	9.3
87.00850	5.5
100.92596	4.2
101.02425	67.0
102.05611	100.0
109.04065	9.1
115.00354	5.7
127.05103	19.3
128.03529	58.8
145.01439	7.7
145.06142	15.7
146.04614	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0142
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
50.49163	4.6
57.03435	14.0
71.01365	13.0
71.37386	5.4
73.02930	10.0
74.02473	10.2
83.01371	4.3
84.04536	9.3
87.00850	5.5
100.92596	4.2
101.02425	67.0
102.05611	100.0
109.04065	9.1
115.00354	5.7
127.05103	19.3
128.03529	58.8
145.01439	7.7
145.06142	15.7
146.04614	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39999	0.8
53.69920	1.0
57.02811	0.8
57.43043	0.8
60.22378	0.8
69.50302	4.0
69.50729	2.7
83.05057	0.9
84.05170	0.9
97.06580	3.6
98.20576	2.0
99.08150	100.0
100.08486	2.8
101.06094	1.9
110.13967	0.9
118.02958	1.2
127.07636	2.2
144.96457	1.5
145.02954	0.9
145.04932	4.8
145.08693	57.1
146.02408	4.9
146.09068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0869
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.53278	1.6
69.53687	5.0
75.53501	0.8
78.63538	0.9
82.57160	0.8
83.05058	1.3
97.06592	1.9
99.08150	100.0
100.08491	3.9
127.07671	1.1
136.18321	0.9
143.07149	1.9
145.04910	6.3
145.08699	55.3
146.02470	3.6
146.09041	2.4
158.70197	1.0
159.14717	1.0
159.60120	1.0
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
59.01367	4.7
70.73456	2.5
70.73776	1.5
71.01353	2.8
85.02927	1.4
92.95958	6.2
92.97275	1.3
95.21982	1.3
102.05603	100.0
103.05936	4.1
104.67247	1.8
128.03534	42.6
129.03847	2.0
132.97772	1.2
146.04581	22.4
146.86687	1.6
146.93384	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	147.0299
Annotation	(-)-Citramalic acid
Peak:m/z	Relative Intensity
50.77703	0.9
57.03442	21.5
59.01374	5.7
70.32548	0.9
70.56577	3.2
85.02941	68.0
86.03277	2.0
87.00865	100.0
88.01210	2.3
89.40163	0.9
97.06753	1.0
101.02414	5.4
103.04005	9.4
129.01917	19.7
146.12558	0.9
147.02982	38.2
148.04123	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	13.9
59.01373	8.5
70.77888	7.5
71.01379	41.8
76.03690	3.3
80.99828	4.1
84.74533	2.8
85.02919	4.9
87.00879	6.0
87.92514	9.4
96.99326	13.2
99.04512	3.4
99.85109	3.5
103.92004	3.7
110.07340	3.6
112.98820	24.2
124.98789	39.7
140.98303	10.6
142.99846	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43819	2.6
53.00303	16.0
59.01365	11.0
65.84382	2.9
68.99807	5.0
70.04508	8.8
71.01378	45.3
78.87671	2.4
80.99804	4.3
83.01404	3.2
85.02939	5.7
87.00883	11.2
89.30889	2.5
96.99340	13.3
98.20506	5.0
112.98814	20.4
115.00391	5.5
124.98786	44.0
125.99070	3.1
140.98264	9.6
142.99855	100.0
143.03484	3.0
143.10820	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	142.9985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	14.6
56.31246	2.7
58.02956	3.0
58.92064	2.7
59.01385	13.1
68.99812	3.3
71.01373	46.6
71.23286	6.0
80.99800	4.8
84.86839	2.6
85.02953	7.9
87.00883	9.0
96.78049	2.7
96.99303	14.5
101.04392	4.2
102.05592	4.6
111.00914	6.3
112.98792	25.0
115.00346	4.4
124.98795	36.5
140.98279	9.8
142.99847	100.0
143.03470	3.9
144.00191	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	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
57.04432	1.4
59.01371	18.2
64.00911	1.4
66.51624	1.3
66.60043	1.6
70.67692	4.3
71.01373	10.8
72.99300	18.1
73.01793	2.7
73.02947	5.5
75.00870	97.9
76.01222	1.9
78.02338	1.3
78.95899	4.0
87.00871	100.0
88.01208	2.0
89.02433	10.2
91.58119	1.5
95.95218	3.4
96.96967	8.8
117.00790	4.9
117.01949	3.0
134.03712	1.6
134.88359	18.8
134.89462	15.1
134.91606	7.8
135.02989	77.3
135.04459	10.5
135.89474	1.6
136.03271	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	136.0165
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
62.75004	1.5
68.99796	2.6
69.03432	2.2
70.30864	4.9
92.05051	3.4
93.03456	48.8
94.03797	4.7
95.01394	12.6
108.02170	81.8
132.24846	1.9
136.01654	100.0
136.03937	4.3
136.04855	24.5
137.02457	40.9
137.06061	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	137.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.9
71.07430	0.7
71.07755	0.4
81.03452	2.3
91.01878	0.7
93.03451	37.6
94.03793	2.0
108.02155	4.2
109.02972	2.6
119.01376	1.0
136.01640	7.0
137.02435	100.0
138.02779	5.4
154.72028	0.4
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	Salicylic acid
Peak:m/z	Relative Intensity
65.03954	0.6
67.16195	0.4
71.31754	0.4
73.71360	0.4
81.03448	2.3
91.01881	0.8
93.03451	28.9
94.03795	1.4
95.01308	0.4
103.60606	0.3
108.02157	3.3
109.02941	3.0
116.73711	0.3
119.01417	0.7
123.59637	0.4
136.01646	7.7
137.02432	100.0
138.02765	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	137.0244
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
54.69970	0.2
65.03961	1.1
70.21579	1.1
72.82670	0.3
90.26177	0.3
93.03449	100.0
94.03785	4.5
98.19924	0.3
99.06118	0.3
108.02150	0.4
137.02434	19.3
138.01886	0.6
138.02782	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0196
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.71310	0.3
52.99768	0.3
71.07671	0.7
82.17446	0.4
85.79579	0.3
94.03795	0.7
102.73170	0.3
107.95677	0.3
108.02166	51.6
109.02532	1.8
114.04121	0.4
138.01959	100.0
139.02315	4.4
153.93268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0472
Annotation	Adenine
Peak:m/z	Relative Intensity
51.53463	0.3
52.72092	0.3
59.62597	0.2
65.01443	0.8
67.19318	0.2
68.02531	0.5
68.47631	0.3
68.82532	0.2
70.43439	0.9
70.95966	0.3
92.02539	6.1
107.03629	27.0
108.03343	0.3
108.03976	0.8
134.04718	100.0
135.05225	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	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01369	1.4
70.88533	1.6
71.01378	61.5
72.01703	1.0
72.99301	14.5
73.99641	0.9
80.78197	1.0
87.00853	2.2
89.02440	7.7
92.52827	0.8
115.00365	100.0
116.00708	2.8
132.86787	1.2
133.01424	25.2
134.01761	0.8
146.97687	0.9
148.95274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0294
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
68.33025	2.6
71.01358	8.0
71.39159	4.2
77.03963	18.3
88.14774	2.4
89.03969	9.8
90.19022	2.7
93.90794	2.6
95.05022	23.1
105.03449	62.1
106.03746	3.3
107.03638	2.9
115.00379	9.5
123.04559	4.8
132.02164	17.8
133.02948	100.0
133.03877	3.4
133.05037	3.1
134.03712	7.5
134.04707	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	134.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54722	1.1
54.25735	0.9
58.32736	1.0
59.01365	2.5
64.90335	0.9
71.01389	6.3
73.02943	4.3
81.03477	2.3
85.02943	14.4
87.00871	1.5
89.02469	1.1
91.05533	1.4
92.02545	3.8
93.03467	4.1
95.05007	1.3
99.04535	0.9
99.92580	1.1
101.02453	1.7
103.04017	1.7
106.04265	6.5
107.03638	11.3
107.05036	13.9
108.02155	3.5
119.05710	1.0
123.04473	1.8
134.02563	2.1
134.03719	61.5
134.04727	45.6
134.86560	7.1
134.89462	20.0
135.04515	100.0
135.80412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0373
Annotation	4-Methylbenzoate
Peak:m/z	Relative Intensity
50.97421	1.8
59.01372	3.7
71.01368	4.1
73.02919	4.2
74.58362	1.8
75.00870	2.2
76.32936	2.3
81.03452	2.0
85.02944	11.9
85.45676	2.1
92.02546	2.0
93.03477	4.5
98.19833	4.6
100.84349	2.1
101.02454	3.6
106.04224	7.4
107.03625	11.1
107.05016	12.3
108.02171	2.1
134.03709	61.7
134.04716	44.1
134.86540	5.8
134.89485	14.3
135.02792	4.1
135.04512	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32693	0.9
58.53033	0.9
59.01360	1.4
70.52441	2.6
70.52793	1.0
71.01380	65.9
72.01748	1.2
72.99303	11.7
86.85041	1.0
87.00875	4.7
89.02443	8.4
107.03629	1.4
115.00367	100.0
116.00687	2.3
133.01431	25.6
133.05098	4.0
134.04733	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	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28553	0.4
60.15145	0.5
70.42935	2.0
93.88213	0.5
130.08731	100.0
131.09096	4.5
140.33728	0.5
147.65866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41255	0.7
57.03445	0.8
57.95407	0.7
58.02960	1.8
59.01363	1.0
70.02970	2.5
70.61253	1.7
71.01392	2.4
73.02931	3.6
77.47147	0.7
85.02936	4.5
88.04034	18.9
88.04557	1.3
95.02506	1.0
97.12941	0.8
97.19884	0.7
113.03569	2.6
114.01947	3.7
115.00926	0.8
120.08347	0.7
129.89235	0.8
130.05077	1.6
130.08730	100.0
130.88942	2.9
131.03517	0.8
131.09077	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	131.0714
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03455	1.1
59.01359	2.4
62.39894	1.0
64.77190	1.0
69.03452	2.5
70.47683	3.2
71.01372	5.8
73.02943	11.1
79.20853	1.0
83.01382	1.0
85.02953	3.8
85.06585	100.0
85.17657	1.0
86.06927	3.9
87.04532	3.0
95.22495	1.1
109.18839	0.9
112.86399	1.1
113.06067	1.6
119.06927	1.0
131.03487	3.5
131.07132	58.3
131.09087	2.1
132.07487	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	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
50.84118	3.9
68.29652	4.1
70.84602	3.8
71.07104	11.1
75.79102	3.8
85.02946	5.7
94.24129	4.0
107.02242	4.3
128.90178	13.3
129.01900	8.7
129.05533	39.3
130.08728	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	129.0558
Annotation	(R)-Pantolactone
Peak:m/z	Relative Intensity
50.75635	8.1
53.32446	8.5
68.73814	7.4
71.06945	9.4
71.07301	19.7
85.02965	16.8
85.06575	9.4
95.15714	8.4
103.76974	10.9
113.99718	7.8
128.90150	13.6
129.05573	100.0
130.08707	78.4
130.19054	8.6
134.68570	8.4
135.21249	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	130.0662
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
56.27721	1.1
57.03428	3.2
59.01366	4.9
62.22075	1.2
68.99821	2.9
69.03430	1.5
69.78841	7.4
71.01381	12.7
73.02943	28.2
75.00832	2.5
85.02943	14.5
85.06556	2.2
85.21922	1.1
87.04513	9.0
88.04037	2.1
98.19891	1.2
101.02437	3.3
102.76907	1.1
103.04021	1.3
108.41228	1.1
109.69720	1.2
113.02419	3.6
128.05060	26.1
129.05356	1.8
130.06625	42.1
130.08723	100.0
131.03517	7.2
131.07013	4.3
131.09055	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	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
57.03447	13.1
58.02955	5.9
58.33101	2.3
67.01884	19.6
68.99844	2.5
70.78747	7.2
85.02946	99.8
86.03294	3.3
88.04031	51.5
101.02399	4.4
126.17319	2.4
128.89215	17.3
129.01941	18.2
129.02783	2.8
129.03880	6.3
130.05063	5.2
130.08730	100.0
137.93373	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0194
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
53.87462	2.1
55.01871	7.7
57.03443	19.4
67.01886	38.5
71.01360	4.3
71.60773	2.7
72.66151	2.3
72.99320	4.5
73.02942	5.1
77.31538	2.2
83.04964	3.2
85.02948	50.8
85.59854	2.0
86.03301	2.4
87.00838	2.5
88.04028	50.8
90.23047	2.4
101.02462	2.8
111.00887	2.1
119.32185	2.3
129.01952	16.1
129.05544	3.7
130.05078	4.7
130.08733	100.0
141.85349	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	119.0501
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01374	2.7
65.35628	0.6
71.01371	2.5
71.62863	0.9
73.02941	0.7
75.00858	0.6
75.07266	0.5
91.05524	0.8
93.03461	2.8
97.50442	0.5
101.48497	0.5
101.92394	1.0
107.47323	0.7
117.03484	0.7
118.92645	3.1
119.05020	100.0
120.05355	5.5
120.99716	0.5
125.81602	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.9965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98679	0.8
58.94688	0.7
62.41497	0.8
66.03478	1.2
69.66641	2.8
69.67069	2.6
93.03448	6.4
94.02977	12.6
98.19912	0.8
108.02160	2.0
120.99650	11.4
121.02944	100.0
122.02468	10.8
122.03307	4.1
122.06116	1.1
139.19803	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
70.63232	0.7
70.63537	0.4
91.01901	0.5
93.03468	1.9
94.02985	1.4
95.01388	0.6
108.02173	1.6
121.02946	100.0
122.02457	1.7
122.03289	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	122.0247
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
55.78724	3.8
66.03477	6.4
67.01884	4.5
67.03006	6.0
68.99789	3.2
78.03479	24.3
79.95721	7.0
80.05042	6.1
94.02982	60.6
95.01377	54.2
95.05064	3.1
100.83578	3.1
108.02146	4.3
122.02489	100.0
122.03309	13.2
122.06084	10.4
123.00869	39.4
123.04517	32.4
143.61234	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	1173.6937
Annotation	Unknow
Peak:m/z	Relative Intensity
82.54679	0.0
83.01383	1.1
85.02942	0.7
87.00869	1.8
89.02443	0.1
94.98081	0.8
94.98650	0.1
95.01390	0.1
95.95227	4.8
96.96004	32.9
97.02940	0.2
99.00874	0.9
101.02435	0.7
103.00352	0.2
111.00872	5.1
112.01225	0.1
113.02443	0.5
115.00365	0.4
120.96023	1.0
122.97561	0.3
127.00346	0.7
129.01930	3.2
134.03735	0.1
136.95488	0.4
136.99133	0.1
137.02341	0.1
137.96266	0.2
138.97069	2.3
141.01952	0.2
141.95775	0.1
147.02960	0.2
148.95435	0.1
148.99149	0.1
150.97055	1.9
151.97833	0.7
152.98503	0.1
154.96545	0.6
159.02972	1.3
161.04532	0.1
162.97038	0.1
164.98608	0.2
165.05515	0.1
166.96539	0.6
167.00185	0.5
167.76152	0.0
168.98145	0.1
176.98611	0.2
177.04041	0.8
180.98061	0.3
182.96063	0.3
182.99666	0.1
190.96593	0.3
192.98122	0.5
194.99644	0.2
196.78673	0.0
196.97589	0.2
198.99257	0.1
208.97643	0.1
209.06566	0.1
210.99162	1.3
213.00764	0.1
220.97699	0.1
222.99080	0.3
227.03442	0.1
238.98639	9.9
239.98799	0.2
241.00209	6.6
242.00522	0.2
256.99701	29.1
258.00043	0.7
259.01218	0.2
326.06805	0.1
341.05457	0.1
360.09698	0.1
395.13779	1.2
396.14236	0.0
441.12207	0.1
441.62729	0.1
495.18988	100.0
496.19327	8.3
571.95691	0.1
654.87939	0.1
677.50049	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1187.6731
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01365	1.0
85.02938	1.1
87.00867	1.8
89.02434	0.3
94.98087	0.6
95.01377	0.1
95.95222	2.7
96.95999	28.6
97.02949	0.1
98.19807	0.2
99.00869	1.1
101.02444	0.9
103.00397	0.2
111.00870	4.6
112.01238	0.1
113.02440	1.9
113.72943	0.1
115.00346	0.4
119.03445	0.1
120.96001	1.0
122.97615	0.2
127.00372	0.7
129.01929	3.2
136.95479	0.4
136.99097	0.2
137.96339	0.1
138.97058	2.1
139.00366	0.2
139.01526	0.1
143.03523	0.1
147.03059	0.2
148.95496	0.1
150.97034	0.3
154.96545	0.6
159.02959	1.3
164.98607	0.2
165.05487	0.1
166.96561	0.5
167.00179	0.4
168.98070	0.1
176.98634	0.2
177.04015	0.3
180.98109	0.3
182.96008	0.2
190.96548	0.2
192.98071	0.4
196.97591	0.1
207.17531	0.2
209.06613	0.1
210.99146	1.2
222.99231	0.1
238.98636	8.9
239.98944	0.2
241.00198	5.6
243.27563	0.1
249.14920	0.1
251.16444	1.1
256.99695	29.5
258.00012	1.0
259.01205	0.3
267.15936	0.4
360.09879	1.6
360.60025	0.4
361.09781	0.2
395.13730	1.2
396.60025	0.1
411.19897	0.1
423.80252	0.1
429.21219	5.6
430.21710	0.5
449.08710	0.1
463.19998	0.2
495.19183	0.3
508.19263	0.1
509.16870	100.0
510.17227	7.5
603.37653	0.1
641.24738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01860	0.9
68.96863	0.5
69.66059	1.8
73.02943	100.0
74.02459	0.9
74.03288	2.0
74.77509	0.4
82.49847	0.4
95.06644	0.5
99.00880	9.0
100.01293	0.6
116.92905	0.4
117.01936	16.6
117.07516	0.8
118.95848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.7
63.67531	0.5
69.74843	1.0
69.75243	1.9
73.02943	100.0
74.03267	2.2
80.58237	0.5
99.00870	9.4
99.92582	2.1
103.36962	0.5
112.75414	0.4
116.92852	6.3
117.01936	18.6
117.07553	0.7
118.02241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79292	0.9
52.37415	1.0
59.01368	1.8
70.45180	2.7
73.02941	54.4
74.02464	1.3
81.98332	1.0
99.00865	5.4
116.07167	100.0
116.92818	1.5
117.01925	9.6
117.07516	2.3
120.06045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0717
Annotation	Betaine
Peak:m/z	Relative Intensity
51.43764	0.9
70.73207	2.6
73.02941	95.4
78.55301	1.0
90.14053	1.0
99.00889	8.9
99.92573	6.7
116.07169	100.0
116.92850	22.1
117.01929	16.6
117.07491	2.8
119.35673	0.9
127.08673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1161.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.3
83.01373	1.4
84.02132	0.2
85.02940	10.0
87.00865	1.7
89.02424	1.0
93.03433	0.4
95.01378	3.1
97.02947	2.1
98.19894	0.1
99.00867	2.4
101.02439	2.8
101.99572	0.2
103.00356	0.9
109.02948	1.0
112.01670	1.2
113.02436	7.8
114.03246	0.9
115.00332	0.6
116.01131	0.2
117.01926	12.7
118.02246	0.1
119.03493	0.3
123.00877	0.4
125.02417	0.6
130.69653	0.1
130.70764	0.1
131.03473	0.4
137.02406	0.9
139.00354	1.3
141.01978	0.2
143.03447	0.2
154.02731	0.2
155.03511	0.2
157.01401	0.6
159.02892	0.1
161.00896	6.4
161.04477	1.1
162.01283	0.2
175.02441	0.5
199.02524	0.2
209.04022	0.1
221.06676	0.4
261.02402	0.2
263.07697	0.3
337.04077	4.1
375.26825	0.2
377.28430	0.2
380.48685	0.1
389.28485	0.2
391.26315	0.6
391.30460	0.3
393.27777	1.7
394.28143	0.2
395.29395	1.4
399.25659	0.3
419.29398	0.7
421.31161	1.8
422.31317	0.2
423.33075	0.7
425.30493	0.2
435.28979	0.2
437.30200	0.2
451.32098	0.6
467.31793	0.7
481.33243	1.5
482.34006	0.2
497.32672	2.1
498.32983	0.3
499.34232	29.2
500.34543	3.4
527.34052	0.8
541.35364	2.7
542.36060	0.3
553.35547	0.7
555.33002	0.4
567.36664	0.6
571.32721	0.3
579.36768	0.6
581.34741	0.6
595.36414	1.0
597.34839	0.4
599.35754	1.7
600.36340	0.4
613.37219	2.0
614.37561	0.4
615.35675	0.7
623.36224	0.2
629.37018	0.4
631.37885	0.2
637.37445	0.2
641.36804	0.4
642.36353	0.2
655.38397	1.5
656.39368	0.4
657.36469	0.5
671.38104	0.3
673.39203	0.5
675.37390	51.4
676.37701	7.4
676.49689	0.2
689.38513	0.2
699.37573	0.3
717.38452	39.7
718.38824	6.7
759.39209	0.4
837.39844	0.8
999.47913	75.6
1000.48260	14.8
1041.48962	64.5
1042.49316	12.5
1085.47791	2.0
1086.48523	0.6
1099.50000	0.2
1117.47070	0.2
1143.48657	2.3
1144.49133	0.6
1161.49512	100.0
1162.49841	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	1159.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03433	1.2
83.01385	1.8
84.02144	0.7
85.02946	16.4
86.78226	0.3
87.00864	3.0
89.02431	2.3
95.01376	3.5
95.48722	0.3
96.71219	0.3
96.95990	0.7
97.02935	2.4
98.19845	0.4
99.00877	5.5
99.04460	0.7
100.98746	0.6
101.02432	4.2
103.00365	1.5
105.07772	0.3
109.02934	2.1
112.01622	1.2
113.02442	14.0
115.00359	6.3
116.98296	18.5
117.01895	0.9
118.94214	0.3
119.03457	0.6
123.00842	0.4
125.02424	1.7
127.03975	0.8
129.01936	1.8
130.99794	1.1
131.03456	0.7
133.01431	6.7
139.00307	0.5
141.01855	0.4
143.03430	0.9
147.02975	0.3
153.01875	0.9
157.01410	1.4
158.99281	0.8
159.02942	0.4
161.04506	1.1
171.02946	0.3
174.98804	1.9
175.02409	0.9
179.05537	0.4
221.06551	1.0
233.03017	1.7
245.06648	0.5
256.99622	0.4
263.04163	0.5
263.07413	0.4
291.03552	6.8
299.71729	0.3
323.09763	0.8
335.02609	2.3
344.99512	0.3
363.53613	0.3
391.26300	1.1
393.27765	1.8
395.29462	1.2
399.37173	0.3
419.29517	0.6
421.30951	2.1
422.31497	0.4
423.32776	0.6
451.32281	0.9
455.52744	0.3
481.33530	1.7
481.39041	0.3
497.32660	1.6
499.34232	33.1
500.34567	4.1
527.33496	1.1
541.35321	5.9
541.42786	0.2
542.35486	0.8
553.34839	0.8
555.33533	0.7
567.37030	0.5
579.37329	0.6
581.34857	0.4
595.36902	1.6
599.35883	2.6
611.35529	0.5
613.37372	16.3
614.37695	2.7
615.35406	0.7
629.37042	0.4
653.37000	1.3
657.36420	12.0
658.36371	1.7
659.37646	0.5
671.38007	8.5
672.38037	1.2
675.37390	59.6
676.37750	9.0
715.37231	3.9
717.38312	0.9
731.36285	0.7
733.37976	4.5
734.38696	0.8
747.39813	0.7
763.40027	0.4
791.38354	4.7
792.39362	0.8
837.42621	0.6
953.43713	0.9
981.47205	1.2
995.48401	8.0
996.49542	1.5
997.44183	0.5
999.47925	48.8
1000.48212	9.3
1039.47607	14.7
1040.47656	3.0
1055.46558	2.6
1057.48499	46.4
1058.48792	9.3
1087.49268	2.6
1088.50488	0.6
1097.48145	0.7
1099.45593	3.8
1100.46143	1.9
1115.49011	91.6
1116.49402	19.7
1159.47998	100.0
1160.48315	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	116.0505
Annotation	3H-Indole
Peak:m/z	Relative Intensity
59.01372	1.5
71.01396	0.6
71.05009	0.6
71.62711	0.7
73.02940	25.7
89.01432	0.4
99.00881	2.9
99.92578	22.4
116.05056	100.0
116.07167	17.3
116.92851	74.0
117.01931	3.8
117.04659	0.8
117.05405	6.5
117.07531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.7291
Annotation	Unknow
Peak:m/z	Relative Intensity
82.77482	0.1
83.04992	0.2
85.93385	0.1
97.06569	0.1
99.17605	0.1
101.67244	0.1
121.51256	0.1
166.65633	0.1
203.00357	0.1
218.81923	0.2
279.23346	0.1
325.25330	0.8
328.41217	0.1
351.26712	0.9
353.28452	1.4
354.28476	0.2
369.27844	0.4
391.30096	0.2
397.13333	0.5
405.31696	0.4
407.33148	4.3
408.33621	0.3
415.14490	0.1
419.29474	0.1
423.32874	0.5
425.34332	0.4
434.81812	0.1
453.33731	1.6
454.33624	0.1
471.34735	100.0
472.35074	9.5
472.42072	0.3
706.76447	0.1
874.38757	0.1
1070.65588	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
52.09717	2.6
53.72210	2.8
55.29061	2.8
57.90660	3.2
59.01356	8.2
61.42895	2.7
67.02887	2.8
70.76585	2.8
70.89011	7.6
71.01381	84.9
87.00832	3.4
115.00356	10.1
115.05948	9.3
116.07167	100.0
120.07316	2.9
134.09444	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	1159.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
82.51962	0.1
83.01379	0.5
91.01878	0.2
93.03463	0.2
96.69382	0.1
96.96010	0.7
101.02450	0.1
107.01382	1.7
108.02163	0.8
109.02947	0.4
112.64215	0.1
121.02942	0.7
125.02457	0.2
135.00882	0.5
135.72781	0.1
148.01656	0.8
149.02420	0.1
151.00359	6.2
152.00705	0.2
153.01920	0.1
159.04483	0.2
163.00357	0.8
163.04092	0.1
164.01154	0.4
169.01416	0.4
171.04416	0.1
172.05154	0.1
174.03070	0.1
175.04007	0.2
176.39635	0.1
178.99844	3.8
180.00182	0.1
183.04506	0.2
187.03883	0.2
188.04813	0.1
190.99841	0.2
192.00597	0.1
198.03171	0.2
199.04027	0.6
201.01958	0.3
201.05496	0.1
202.02724	0.1
203.03493	0.3
207.72858	0.1
211.03911	0.5
213.01820	0.1
215.03482	0.6
216.04234	0.4
226.02684	0.9
227.03474	1.9
228.03915	0.2
229.01427	0.2
229.04988	0.3
239.03429	0.1
242.02229	0.1
243.02954	7.4
244.03488	0.5
245.04420	0.2
254.02208	1.8
255.02956	18.8
256.03369	1.0
271.02444	44.2
272.02917	3.5
273.03894	0.5
283.02466	0.3
297.03998	0.1
299.01996	3.0
300.02716	76.3
301.03381	13.3
302.03787	0.8
325.03485	0.4
343.04565	0.4
355.04666	0.3
387.13043	0.9
409.05679	0.1
469.17233	0.3
505.10138	0.2
591.14056	0.2
771.19794	100.0
772.20093	12.0
773.20520	0.3
774.20636	0.1
843.50159	0.1
961.26044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
78.74049	0.3
79.95634	0.5
81.03340	0.9
83.01264	2.3
84.02076	0.3
85.02825	8.8
85.03378	0.9
87.00744	1.6
89.02310	10.4
89.02905	1.0
89.78252	0.3
93.03389	0.6
95.01252	4.6
95.01906	0.4
96.95866	3.4
97.02803	1.8
99.00737	11.9
99.01445	1.1
101.02295	11.6
101.03037	0.9
103.00213	0.9
109.02795	2.1
111.00734	1.0
112.01510	1.4
113.02287	8.9
113.03130	0.5
115.00266	0.6
117.01772	11.7
119.03326	4.1
129.01820	0.6
131.03278	0.5
137.02266	3.2
139.00240	0.7
150.03059	0.4
155.03342	0.5
157.01180	1.2
157.02301	0.3
161.00894	15.1
161.04448	0.4
241.00168	0.4
245.36618	0.4
249.03392	0.3
337.07446	0.4
349.04544	0.4
351.26492	0.4
391.29416	0.3
421.30905	0.4
423.32455	0.7
437.30276	0.5
451.31784	1.0
467.31589	2.3
469.33179	10.7
470.33224	1.0
483.64438	0.4
497.32538	0.4
499.09213	1.0
511.33887	0.9
519.34265	0.9
537.35785	5.3
538.35565	0.5
549.35736	1.8
551.33411	1.6
563.33673	0.8
565.35425	2.1
566.35474	0.3
567.36975	0.6
579.36597	0.7
583.36334	10.1
584.36462	1.2
601.37494	2.3
602.37128	0.4
607.36475	3.2
608.36414	0.5
611.35498	0.6
625.37286	1.2
627.35333	4.8
628.35687	0.6
645.35291	0.4
646.36627	0.4
669.36639	1.6
673.39221	2.6
745.41528	8.3
746.41730	1.2
763.42145	0.9
787.43176	0.7
807.41815	6.8
808.41479	0.9
849.42621	3.1
850.43427	0.4
969.46869	96.9
970.47217	15.2
1011.47961	82.7
1012.27173	0.7
1012.48199	12.9
1055.47107	3.7
1056.47009	0.6
1101.50281	0.7
1102.50366	0.8
1103.51379	0.4
1113.48767	1.8
1114.49109	0.4
1131.48535	100.0
1132.48938	17.7
1157.68152	0.4
1159.48950	0.7
1160.48315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.5223
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.9
85.02943	4.9
86.00087	0.1
86.03278	0.1
87.00867	0.8
89.01902	0.2
89.02437	3.2
95.01383	3.0
96.95993	0.2
97.02930	0.7
99.00874	3.2
100.71397	0.1
101.02435	1.1
103.00342	0.1
111.00874	3.6
111.01643	0.2
112.01708	0.2
112.57375	0.1
113.02447	4.5
114.02743	0.2
115.00357	0.2
119.03481	0.2
121.67901	0.1
123.79260	0.1
124.62715	0.1
125.02464	0.2
129.01950	0.7
130.99843	0.2
131.03494	0.7
139.00362	2.0
149.04524	0.2
154.85904	0.1
157.01424	0.9
161.04506	0.3
163.10765	0.1
187.11215	0.1
191.05592	0.2
205.40277	0.1
221.06702	0.3
230.49207	0.1
284.37445	0.1
347.44876	0.1
375.26999	0.2
377.28455	0.1
391.26376	0.3
391.30728	0.1
393.27893	0.8
395.29413	0.4
409.69226	0.1
419.29523	0.1
421.31192	0.7
423.32977	0.1
435.29001	0.2
451.32187	0.3
467.31168	0.1
481.33261	0.8
497.32513	0.8
499.34244	9.5
500.34616	1.0
507.30710	0.1
527.33752	1.9
528.34180	0.3
541.35248	1.3
555.33136	0.3
557.34369	0.2
567.36877	0.7
581.34894	1.1
593.35303	0.5
595.36346	3.8
595.45801	0.2
596.36774	0.4
606.57556	0.1
613.37396	3.9
614.37573	0.6
615.35278	1.4
631.38416	0.3
639.35321	0.2
645.36963	0.1
657.36731	0.5
675.37305	1.5
676.37756	0.2
745.41467	2.1
746.42035	0.3
761.40533	0.1
763.42566	0.2
775.86676	0.1
807.41638	10.6
808.42188	1.5
849.43286	0.1
999.47772	0.4
1087.49365	0.1
1119.61975	0.1
1131.52124	100.0
1132.52356	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	1131.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95653	0.3
81.03346	0.8
83.01277	2.5
85.02831	9.3
85.03399	0.9
87.00750	1.2
89.02321	9.6
89.02913	0.9
93.03333	0.9
95.01255	4.4
95.01897	0.4
96.95866	1.9
97.02826	1.8
99.00747	11.6
99.01456	1.0
101.02304	11.1
101.03036	0.9
103.00229	1.2
103.00836	0.3
104.19952	0.3
108.02020	0.3
109.02920	1.9
111.00747	0.9
112.01573	0.5
113.02298	9.5
113.03132	0.5
115.00220	0.5
117.01777	11.6
117.02673	0.9
119.03487	3.2
125.02302	0.4
131.03352	0.5
137.02267	2.5
139.00230	0.6
153.01836	0.4
155.03387	0.3
157.01186	1.0
161.00909	16.4
161.02158	1.0
161.04398	0.6
165.05508	0.3
179.05496	0.4
192.67416	0.2
193.04749	0.3
194.05434	0.2
199.02304	0.3
214.86566	0.3
224.34967	0.2
377.86942	0.3
421.30920	0.4
423.32437	0.5
437.30087	0.5
451.31918	1.0
465.33377	0.3
467.31631	2.0
469.26825	0.5
469.33176	10.2
470.33115	0.8
499.08899	0.7
511.34003	1.4
519.34436	0.9
537.35797	5.2
538.35828	0.7
549.35712	2.1
551.33502	1.3
563.33038	0.5
565.35309	1.9
566.35834	0.3
567.36572	0.9
569.34766	0.4
579.37231	0.7
583.36377	9.8
584.36450	1.2
601.37506	1.8
607.36432	3.2
625.37158	1.2
627.35425	5.7
628.35413	0.6
656.42743	0.3
669.36389	1.4
673.39709	2.6
702.03058	0.3
745.41589	8.8
746.41754	1.1
763.42804	0.6
787.42511	1.1
807.27112	0.6
807.41742	7.2
808.42218	0.9
849.42493	3.5
881.49359	0.4
969.46887	97.4
970.47137	14.9
1011.47955	85.0
1012.48218	12.2
1055.46899	3.8
1056.47412	0.5
1087.48779	0.4
1113.48425	1.5
1131.48547	100.0
1132.48804	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	1123.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
78.02783	0.2
78.91381	0.2
83.01381	0.9
85.02944	0.3
91.07195	0.2
91.67172	0.2
96.96004	0.7
98.20615	0.2
107.01387	2.8
108.02212	0.4
113.02443	0.3
117.03439	0.4
121.03001	0.2
123.00821	0.2
124.01668	0.6
132.02162	16.9
132.77769	0.2
133.02919	0.3
134.03731	5.4
135.04599	0.5
137.02473	0.3
142.04503	0.2
148.01660	0.8
149.06079	0.8
149.99588	0.5
151.00359	10.1
152.01007	0.3
160.01645	42.4
161.02316	2.3
163.00345	0.9
164.01151	1.1
169.01395	0.5
175.03989	33.8
176.04353	0.8
178.02705	0.9
179.03450	0.4
183.04491	0.3
186.03227	0.4
187.03917	0.2
189.01901	0.3
192.00575	0.3
193.05061	3.3
193.31250	0.2
198.03165	0.3
199.03979	1.0
200.04752	0.4
201.01897	0.3
202.02747	0.2
203.03487	0.4
214.02742	1.1
215.03490	0.6
216.04265	0.6
217.05246	0.3
226.02631	0.3
227.03499	1.9
228.04250	0.3
231.03023	0.2
235.05992	0.3
241.01442	1.4
242.02185	7.5
243.02954	6.4
243.06656	0.2
244.03606	0.7
245.00897	2.5
254.02122	0.4
255.02980	2.6
256.03720	0.4
257.04575	1.1
268.62387	0.2
270.01672	12.0
271.02435	13.9
272.03082	1.6
273.00372	0.5
282.01669	0.3
283.02460	1.0
284.03299	0.5
285.04053	6.0
285.07056	0.2
286.04706	0.8
287.05646	0.7
296.03366	0.2
298.01175	3.2
299.01953	16.5
300.02713	43.5
301.03119	2.9
309.81027	0.2
313.03510	31.3
314.04263	19.2
315.05060	100.0
316.05392	5.3
327.05200	0.3
329.06677	0.6
355.17892	0.2
357.06119	1.7
369.06125	0.2
397.11313	0.3
441.08292	0.3
457.09814	0.4
459.09201	1.2
465.14349	0.3
467.15686	1.0
468.16208	0.3
469.15839	0.2
477.10257	0.6
483.15115	0.9
499.14749	0.5
501.09854	0.3
501.16214	0.8
621.14532	26.8
622.14832	2.3
623.16095	4.9
624.15704	0.3
638.14709	0.2
639.15601	14.4
640.15436	1.2
665.17389	0.4
695.17358	0.3
799.21143	0.6
815.20337	68.4
816.20703	7.5
857.21527	0.9
929.25525	10.9
930.26117	1.5
947.26703	4.8
948.26880	0.6
1123.31348	21.3
1124.31982	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	1129.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95734	1.8
81.03440	0.9
83.01369	1.4
84.02154	0.5
85.02946	12.5
87.00859	2.5
89.02426	1.9
95.01383	2.6
96.96006	12.4
97.02940	2.3
99.00873	6.7
99.04484	0.6
100.98836	0.5
101.02441	2.0
103.00356	1.2
104.35595	0.3
108.72894	0.4
109.02941	2.3
111.00866	1.1
112.01626	1.2
113.01685	0.7
113.02442	11.7
115.00370	4.9
116.98292	15.3
117.01909	0.6
119.03497	0.5
125.02415	1.1
127.03972	0.6
129.01923	1.1
130.99846	1.2
131.03474	0.8
133.01411	4.5
134.03720	0.4
135.04474	0.3
139.00334	0.5
142.11829	0.3
147.02959	0.3
153.01900	1.2
157.01407	1.0
158.99225	0.5
161.04558	0.8
165.01976	0.4
171.02959	0.4
174.98801	1.2
175.02431	0.9
221.06659	0.5
233.02975	1.1
263.04144	0.7
276.11813	0.4
291.03546	5.7
301.02927	0.3
335.02518	3.2
421.31393	0.7
423.32559	0.8
451.32034	1.0
465.33627	0.4
467.31567	1.0
469.33167	21.0
470.33615	1.9
497.32654	1.1
511.34253	4.4
512.34467	0.8
537.35846	0.7
549.35815	0.8
565.35358	1.7
569.34674	1.7
579.37134	0.6
583.36365	13.8
584.36963	2.0
585.34485	0.6
595.36505	0.7
599.35999	0.4
601.37634	0.5
611.35565	0.4
623.35724	1.4
627.35321	8.1
628.35626	0.7
629.37054	0.5
641.36884	5.4
642.37140	0.6
645.36359	40.0
646.36688	6.1
685.36060	1.9
686.36011	0.5
687.37811	0.8
703.37061	2.9
761.37946	0.6
951.45929	0.6
965.47302	5.8
966.48950	0.7
969.46844	32.6
970.47040	4.6
981.46045	0.6
1009.46393	11.3
1010.46698	2.6
1025.46118	1.4
1027.47485	30.5
1028.47766	5.1
1057.48511	1.4
1067.46631	0.6
1069.44910	3.6
1070.45508	1.3
1070.72095	0.4
1085.47937	65.9
1086.48328	9.5
1129.46960	100.0
1130.47156	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	1117.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
78.30032	0.5
79.95697	0.6
81.03402	0.9
83.01389	2.4
85.02953	9.6
87.00826	1.9
89.02441	11.5
93.03394	1.1
95.01393	4.8
96.95943	1.9
97.02879	1.5
99.00877	11.1
101.02438	12.5
102.02714	0.5
103.00347	0.8
108.44854	0.6
109.02969	2.7
111.00826	0.9
112.01598	1.0
113.02444	12.0
115.00320	1.1
116.98250	1.1
117.01936	12.6
119.03493	4.2
131.03412	0.7
137.02312	2.2
139.00281	1.0
153.01817	0.7
156.22758	0.5
157.01389	1.2
161.00919	15.1
161.02251	0.6
161.04466	1.5
409.34598	1.8
455.35141	1.5
456.35614	1.2
499.08899	0.7
523.37750	0.9
569.37665	0.6
570.38794	0.6
581.61273	0.5
613.37122	0.6
631.38031	1.0
673.39856	0.6
733.42804	0.7
749.45142	1.4
791.45850	0.9
793.43872	2.0
835.45648	0.9
837.42621	1.5
838.42920	0.9
953.50391	1.0
955.49017	89.9
956.49219	12.5
957.49396	2.2
997.50079	80.2
998.50165	12.0
1041.49341	3.9
1072.50256	0.9
1073.50867	4.5
1099.49182	1.6
1117.50671	100.0
1118.50745	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	1119.5395
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95732	3.4
80.96507	0.8
81.70020	0.1
83.01359	0.1
85.02926	0.3
85.67319	0.0
87.00896	0.1
89.02443	0.1
94.98083	0.1
95.01421	0.1
95.95221	2.1
96.96001	39.0
97.02953	0.1
97.95932	0.1
98.95594	0.1
99.00896	0.1
101.02441	0.4
103.00354	0.0
113.02445	0.2
122.97559	0.4
129.01923	0.1
138.97050	1.1
141.95801	0.1
143.03458	0.1
145.76605	0.0
150.97052	0.7
152.98611	0.1
159.02986	0.1
164.98647	0.3
168.98112	0.2
177.04034	1.3
177.05515	0.1
180.98099	0.6
182.99701	0.1
194.99686	0.1
198.99170	0.4
209.15485	0.1
213.00697	0.2
222.99112	0.1
225.00708	0.4
238.98698	0.1
241.00204	2.5
256.99704	1.3
395.10278	0.1
449.14404	0.2
450.15073	0.2
451.16367	100.0
452.16684	6.4
453.16409	0.1
495.19098	0.2
556.18829	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95724	0.5
81.03427	1.0
81.68728	0.3
83.01394	1.7
85.02944	13.3
87.00868	2.2
87.14089	0.3
89.02432	2.2
95.01375	2.8
96.95989	2.6
97.02962	1.9
98.85532	0.3
99.00249	0.3
99.00870	5.2
99.04495	0.6
100.98754	0.4
101.02429	4.2
103.00367	1.5
109.02953	2.1
111.00851	1.5
112.01645	1.1
113.02438	10.6
115.00350	5.6
116.98289	14.1
117.01884	0.5
125.02395	0.9
126.03173	0.3
127.03950	0.4
129.01886	1.1
130.99825	1.1
131.03421	0.5
133.01416	4.3
139.00328	0.6
141.01926	0.5
143.03444	0.9
147.02948	0.3
153.01901	0.7
157.01360	0.9
158.99268	0.8
161.04498	1.7
166.44487	0.3
171.02948	0.5
174.98837	1.5
175.02451	0.8
176.47861	0.3
221.06593	1.2
233.02977	1.0
263.04041	0.5
291.03531	4.1
300.17572	0.4
335.02493	1.7
374.39017	0.3
407.33426	0.6
423.32779	0.6
437.34128	1.4
447.12149	0.4
453.33609	1.0
455.35245	25.4
456.35547	2.3
483.34320	1.0
497.36371	4.8
509.36169	1.0
523.37640	0.6
535.37238	0.4
551.37103	1.0
555.36804	1.8
565.39215	0.4
569.38446	11.6
570.38501	1.6
609.37726	0.8
613.37335	8.5
614.37689	0.9
627.38916	5.9
628.39288	0.8
631.38416	42.4
632.38672	5.0
671.37769	1.8
673.39813	0.7
687.37506	0.4
689.38788	3.5
747.39868	2.3
937.47382	0.6
951.49512	5.6
952.49738	1.0
955.48926	30.4
956.49506	4.7
995.48431	9.6
996.48499	1.6
1011.47144	1.9
1013.49554	32.3
1014.49915	5.4
1043.50720	0.7
1053.48938	0.8
1055.46887	4.0
1056.47156	1.1
1071.50049	59.1
1072.50256	11.4
1097.47839	0.8
1115.49048	100.0
1116.49170	20.5
1117.50024	0.5
1147.18250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95731	0.7
81.03460	1.3
83.01384	1.5
84.02165	0.3
85.02425	0.5
85.02949	11.4
87.00875	3.2
89.02446	2.3
95.01383	2.9
95.93104	0.3
96.96016	2.1
97.02946	1.8
99.00882	5.9
99.04488	0.8
101.02446	2.1
103.00382	1.4
103.25269	0.3
109.02957	2.0
111.00857	1.1
112.01660	0.8
113.02446	10.0
114.02722	0.4
115.00356	4.7
116.98293	14.5
117.01929	0.8
117.98631	0.3
121.65599	0.2
125.02422	1.4
127.03989	0.8
129.01924	1.4
130.99846	1.0
131.03493	0.6
133.01425	4.8
139.00359	0.4
147.02972	0.3
150.03305	0.3
153.01878	1.0
157.01422	0.9
158.99315	0.4
159.03024	0.4
161.04510	0.6
171.02959	0.4
174.98840	0.8
175.02458	0.9
198.77475	0.3
221.06668	0.6
223.13403	0.2
233.03035	1.5
256.99646	0.7
263.03986	0.6
277.02127	0.3
291.03586	5.9
309.79007	0.2
330.18756	0.3
335.02521	3.6
360.58545	0.3
381.20825	0.2
407.33105	0.8
423.32858	0.4
437.34222	1.9
440.25201	0.3
453.33643	0.9
455.35272	24.1
456.35663	2.4
483.34998	1.3
497.36340	6.4
497.73270	0.3
498.36545	0.8
509.36453	0.5
523.37897	0.4
535.37811	0.7
551.37311	1.2
555.36774	1.7
569.38416	14.3
570.38678	1.4
571.36005	0.3
581.38678	0.3
587.39587	0.5
597.38141	0.6
599.39288	0.4
609.37842	1.5
613.37360	8.0
614.37451	1.5
615.38904	0.4
617.19745	0.3
627.38959	4.1
628.39075	0.4
631.38458	43.6
632.38770	5.2
671.37665	2.0
673.39679	0.7
687.38141	0.3
689.38995	2.8
690.38599	0.3
703.41534	0.3
747.39789	0.5
863.52716	0.4
937.46686	0.3
951.49579	5.5
952.50018	0.7
955.49078	30.9
956.30023	0.5
956.49188	5.5
961.32452	0.6
995.48395	11.0
996.48175	2.0
1011.47064	1.4
1013.49573	28.8
1014.49854	4.8
1035.45508	1.0
1043.50684	1.1
1053.48914	0.5
1055.46851	3.0
1056.47681	1.1
1071.50085	62.2
1072.50317	11.2
1097.48877	0.7
1115.49121	100.0
1116.49438	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	1117.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	0.7
84.02111	0.2
85.02946	6.6
86.00113	0.2
87.00867	1.6
89.02425	1.2
93.03464	0.2
95.01376	2.3
96.95975	0.5
97.02919	1.1
99.00865	1.8
101.02424	1.5
103.00353	0.8
103.00987	0.2
108.02186	0.2
109.02942	0.7
111.00862	1.3
112.01661	0.7
113.02438	4.8
114.03264	0.4
115.00372	0.5
117.01933	9.3
119.03458	0.2
125.02441	0.4
129.01947	0.3
131.03499	0.5
137.02441	0.5
139.00343	0.8
141.01927	0.2
157.01373	0.4
161.00896	3.6
161.04543	0.7
175.02551	0.4
213.05609	0.2
217.03366	0.2
221.06619	0.6
247.16968	0.2
248.51660	0.2
269.52466	0.2
283.33594	0.2
337.04083	5.8
338.04404	0.3
355.26358	0.2
407.33224	1.0
423.32434	0.5
437.34161	1.7
453.33859	1.0
454.34161	0.2
455.35254	26.4
456.35532	2.1
483.34656	0.8
497.36389	3.7
498.36423	0.4
509.36383	0.3
511.34354	0.3
523.37811	0.4
535.37787	0.7
551.37354	0.6
555.36517	0.9
556.37128	0.3
569.38446	2.6
571.36151	0.9
593.38409	0.5
597.37793	0.3
611.39557	2.7
613.37061	1.0
629.40363	0.7
631.38434	45.8
632.38770	5.8
655.38159	0.4
673.39496	31.4
674.39795	4.0
690.25879	0.2
793.39911	0.2
955.48956	52.0
956.49194	7.7
997.50073	39.5
998.50366	5.2
1041.49792	0.7
1064.92859	0.2
1073.50464	0.4
1099.49170	1.5
1100.49915	0.2
1117.50623	100.0
1118.50757	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95679	0.3
81.03432	1.0
83.01375	1.2
84.02126	0.6
85.02943	11.7
87.00858	1.7
89.02456	1.5
95.01373	2.1
96.96023	2.6
97.02961	1.5
97.03445	0.3
98.95581	0.4
99.00877	5.3
99.04484	0.7
100.98804	0.3
101.02444	1.6
103.00369	1.2
109.02923	1.8
111.00875	1.2
112.01637	0.9
113.02444	8.7
115.00364	4.8
116.21874	0.2
116.98293	14.6
117.01917	0.3
125.02422	1.3
126.03165	0.3
127.03986	0.4
129.01898	0.8
130.99817	0.8
131.03452	0.4
133.00443	0.3
133.01421	4.8
139.00398	0.5
153.01892	0.4
157.01323	0.7
158.99301	0.5
161.04507	0.6
171.02888	0.3
174.98726	1.0
175.02396	0.7
177.80814	0.2
180.69225	0.2
221.06482	0.6
230.16243	0.3
233.02939	0.9
249.37076	0.3
263.04007	0.6
291.03549	5.9
335.02530	2.8
374.12189	0.2
407.33084	0.6
423.32742	0.5
437.34415	1.2
453.33569	1.0
455.35226	19.7
456.35660	1.9
483.34775	0.8
497.36331	4.5
498.36270	0.6
509.36340	0.5
523.37842	0.6
535.37628	0.4
539.38177	0.3
551.37207	1.2
555.36664	1.1
565.39105	0.4
569.38416	11.8
570.38800	1.1
571.36261	0.6
581.38434	0.4
587.40320	0.3
597.37854	0.3
609.37653	0.8
613.37366	7.1
614.37671	1.0
615.38983	0.4
627.38824	3.7
628.39398	0.4
631.38397	35.6
632.38837	4.4
671.37695	1.6
673.39349	0.5
689.38928	2.6
747.39484	0.6
937.48340	0.5
951.49542	4.7
952.49274	0.7
955.48987	27.7
956.49286	4.8
995.48376	11.1
995.69415	0.5
996.49304	1.7
1011.47540	1.1
1013.49561	27.7
1014.49878	4.7
1043.50745	1.0
1053.48840	0.9
1055.46863	3.0
1056.25049	0.3
1056.46558	1.2
1071.50061	55.9
1072.50464	10.0
1097.47534	0.4
1115.49011	100.0
1116.49194	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	1109.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
78.84606	0.1
83.01366	0.9
90.00500	0.1
93.03471	0.2
93.06150	0.2
95.01366	0.2
98.19889	0.3
107.01382	3.8
108.02200	0.5
109.02950	1.3
115.05553	0.2
117.03483	0.2
119.01353	0.3
119.04990	0.2
121.02994	1.0
123.00936	0.2
125.02471	0.3
132.02167	3.7
133.02946	2.7
134.03745	1.3
135.00862	0.6
135.04492	0.5
141.03490	0.2
143.04994	0.6
145.02890	0.3
147.00887	0.4
147.04504	0.3
148.01672	0.6
149.02415	0.5
149.99574	0.2
151.00356	14.7
152.00746	0.3
153.01981	0.3
155.05016	0.3
157.02916	0.7
159.04510	0.2
160.01643	9.8
161.02441	4.8
163.00331	0.7
164.01192	0.7
169.01427	0.4
171.04480	1.4
173.02437	0.4
175.00398	0.6
175.03995	7.4
176.04390	0.3
177.01985	0.1
178.02669	0.2
178.99818	2.3
179.03458	0.4
182.03777	0.1
183.04501	0.6
187.03943	0.8
189.01874	0.3
189.05414	0.3
190.99751	0.3
193.01326	0.5
193.04956	0.6
197.02386	0.5
198.03189	0.6
199.03996	4.7
200.04329	0.3
201.01947	1.4
203.03490	0.7
205.01376	0.4
211.03958	0.3
213.01907	0.4
214.02559	0.3
215.03514	2.6
216.04097	0.3
217.01375	0.2
225.01851	0.4
226.02673	1.1
227.03473	3.5
228.04112	0.3
229.01450	0.4
229.04852	0.3
231.03120	0.2
235.02454	0.3
241.01454	0.2
242.02222	0.7
243.02942	5.5
244.03314	0.3
245.04491	0.4
254.02185	0.2
255.02950	4.3
256.03653	0.3
257.04575	0.2
257.08044	0.3
271.02441	67.3
272.02823	3.1
273.03979	0.4
282.01566	0.4
283.02411	1.0
284.03204	0.5
285.03882	0.4
298.01141	0.3
299.01935	100.0
300.02655	27.1
301.03488	37.5
302.03818	1.7
313.03510	0.4
314.04263	0.4
315.05130	2.1
325.03702	0.3
342.03546	0.2
343.04514	0.8
347.42795	0.2
355.06442	0.2
445.07645	0.5
457.09760	0.6
462.07867	0.3
463.08664	0.7
475.11102	0.8
536.76288	0.2
606.12134	1.0
607.12885	2.2
608.13184	0.2
609.14594	0.5
624.13409	1.4
625.14056	4.3
626.14484	0.2
639.15143	0.2
651.15289	0.4
679.14893	0.2
713.87402	0.2
783.17627	0.7
800.17908	0.9
801.18762	14.0
802.18787	1.4
915.24139	3.0
916.23383	0.4
933.25092	6.6
934.25647	0.7
1109.29761	80.8
1110.30042	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	1109.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
82.95871	0.2
83.01388	0.5
96.89073	0.2
96.95985	0.3
107.01386	2.1
108.02168	0.4
109.02917	0.9
115.05487	0.2
121.02945	0.5
132.02158	0.7
133.02945	2.4
134.03699	0.5
135.00832	0.3
135.04533	0.3
139.04054	0.2
143.04980	0.4
145.02965	0.3
147.00932	0.4
147.04565	0.2
148.01625	0.3
149.02438	0.3
151.00354	7.7
155.04990	0.2
157.02965	0.3
159.04480	0.3
160.01584	1.2
161.02428	2.8
163.00334	0.7
163.04042	0.2
164.01102	0.3
165.01854	0.2
169.01469	0.3
171.04439	1.3
173.02403	0.4
175.00391	1.0
175.03964	1.5
176.04736	0.2
178.99846	2.9
182.03717	0.2
183.04526	0.5
185.02504	0.2
187.03946	1.2
189.01971	0.2
189.05592	0.2
193.04997	0.3
197.02451	0.2
198.03197	0.5
199.03978	4.1
201.01930	1.4
202.02528	0.2
203.03552	0.8
205.01425	0.2
211.04048	0.4
213.01837	0.2
214.02744	0.2
215.03439	2.4
216.04211	0.3
226.02676	1.2
227.03476	4.2
228.03978	0.3
229.01392	0.3
229.04947	0.2
231.03056	0.3
241.01492	0.3
242.02295	0.9
243.02956	6.7
244.03496	0.5
244.25313	0.2
249.12201	0.2
253.01363	0.3
254.02122	0.8
255.02957	7.9
256.03339	0.3
257.04504	0.3
270.01660	0.6
271.02441	74.4
272.02859	4.0
273.04080	0.5
282.01675	0.5
283.02347	0.3
284.03336	0.2
285.04007	0.5
297.03967	0.3
298.01187	0.3
299.01938	100.0
300.02664	38.6
301.03458	16.7
302.03928	0.9
312.02634	0.3
313.03387	1.1
314.04242	1.6
315.05112	2.6
323.65613	0.2
325.03409	0.5
341.05347	0.2
342.04153	0.3
343.04605	0.7
344.89496	0.2
355.04480	0.3
461.07050	0.7
462.07983	17.1
463.08572	2.3
467.15326	0.2
505.10077	0.2
531.78839	0.2
591.13647	0.5
639.15222	0.4
681.14325	0.2
753.18561	1.7
771.19818	10.2
772.20245	0.8
785.21588	0.6
801.19836	0.6
802.21185	0.2
915.23889	2.8
916.24591	0.3
933.25092	16.1
934.25079	2.0
947.24518	40.1
948.24738	5.3
1109.29773	37.8
1110.29932	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	1101.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95703	0.2
83.01379	1.9
85.02946	5.1
87.00866	0.8
89.02431	2.7
93.03426	0.2
93.71015	0.1
95.01382	2.4
96.96001	1.7
97.02921	0.7
98.95565	0.2
99.00875	3.4
100.70442	0.1
101.02428	1.1
111.00877	3.4
112.01640	0.3
112.02364	0.1
113.02441	4.1
129.01854	0.5
130.99753	0.2
131.03490	0.9
137.02394	0.2
139.00354	2.2
144.34814	0.1
149.04434	0.2
149.54480	0.1
155.98958	0.1
157.01419	0.7
161.04472	0.4
175.02411	0.3
193.04953	0.2
209.06613	0.1
221.06468	0.2
249.90654	0.1
351.26682	0.2
367.10278	0.3
391.30008	0.2
392.36508	0.1
393.31473	0.2
395.29376	0.2
405.31732	0.2
421.30850	0.2
423.32465	0.5
437.30505	0.2
451.31964	0.6
467.31546	0.7
469.33145	9.2
470.33563	0.7
497.32590	1.7
498.32813	0.3
511.33929	0.8
519.34705	0.2
525.32025	0.4
537.35614	0.5
539.18237	0.2
551.33667	0.9
552.34430	0.2
561.28809	0.2
563.33588	0.4
565.35260	3.0
566.35382	0.3
583.36310	3.5
584.36255	0.4
585.33972	1.1
597.26569	0.2
601.03149	0.2
601.37115	0.2
624.50928	0.1
627.35040	0.4
643.45734	0.1
645.36469	0.9
715.40424	2.2
716.41113	0.3
733.41998	0.3
759.40118	0.2
777.40588	15.8
778.41083	1.9
819.41742	0.3
1000.76184	0.1
1012.17059	0.1
1101.51099	100.0
1102.51379	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	1097.6769
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	5.3
78.98592	0.7
79.95723	1.0
80.96509	6.3
82.96091	0.1
85.02948	0.2
87.00874	0.2
94.98076	1.7
95.01367	0.1
96.96016	0.2
96.96986	0.1
97.02966	0.1
101.02444	0.2
106.98063	0.3
110.37390	0.1
122.97565	0.3
125.02425	0.3
134.97571	0.4
148.99149	0.7
152.98549	0.6
152.99576	1.3
164.98627	1.4
165.98970	0.1
168.04294	1.4
168.26056	0.1
171.00645	0.1
196.23572	0.1
206.99619	0.3
224.06895	1.0
225.00717	2.4
226.01001	0.4
242.07953	2.5
244.52824	0.1
261.22171	0.4
277.21744	0.2
279.23251	100.0
280.23590	5.3
299.04361	0.4
471.84122	0.1
504.30902	80.4
505.31216	5.7
519.27405	0.8
577.26801	10.7
578.27057	11.0
578.34857	3.1
579.26917	1.2
579.34985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
76.01187	0.5
76.09792	0.2
78.64516	0.2
79.95716	0.5
80.96498	0.2
82.02947	0.2
83.01363	1.3
84.04501	0.4
85.02945	12.0
86.04685	0.2
87.00861	1.2
89.00644	0.8
89.02459	0.4
90.98595	0.2
95.01374	2.2
96.95998	1.2
96.99917	0.2
97.02905	0.3
98.00693	2.9
98.02468	0.9
98.19883	0.4
98.95577	0.3
99.00867	2.3
100.02267	0.2
100.04041	2.5
101.02409	0.4
103.00323	0.3
111.00877	1.1
112.01701	0.2
113.02439	7.4
114.00147	0.5
114.05556	0.2
115.00330	0.6
115.01032	0.2
116.01743	0.7
117.01936	0.6
126.01958	0.4
128.03502	0.2
129.01941	1.0
129.99649	0.2
130.03343	0.2
135.08099	0.2
139.00313	0.2
140.03461	0.4
141.99670	1.5
142.99857	0.2
144.02959	0.1
156.01164	0.2
157.01410	1.1
158.04527	0.6
160.00600	0.3
174.02284	5.1
175.02496	0.8
184.02547	0.3
185.98642	0.4
200.00188	0.5
209.06509	0.2
218.01265	3.7
224.09206	0.2
238.98537	0.2
241.00104	0.2
256.99658	0.4
262.00204	4.1
311.84360	0.2
338.24557	0.2
350.05380	0.9
378.29498	0.2
391.26172	0.2
395.29980	0.2
419.29306	0.2
421.31036	0.4
438.02652	0.2
481.33316	0.4
497.32477	0.5
499.34262	5.7
500.34418	0.5
527.33539	0.5
541.35309	2.8
553.35278	0.9
555.33014	0.6
571.35913	0.3
595.36542	0.8
599.36017	0.8
613.37360	12.7
614.37933	1.5
615.35175	0.5
629.35706	0.2
631.38617	1.6
632.38690	0.2
652.43066	0.3
657.36420	1.5
675.37482	9.8
676.37939	0.9
717.38586	0.6
774.39233	0.7
837.42670	100.0
838.42993	14.4
850.40692	0.5
876.38379	0.9
918.43866	0.2
920.45807	1.8
921.48877	0.3
936.44092	16.2
937.43945	2.6
950.43823	0.4
962.31384	0.3
978.46893	3.1
979.47192	0.5
984.42358	0.4
1012.45679	16.5
1013.46075	2.9
1020.43280	0.5
1038.43579	2.6
1039.43665	0.4
1056.45471	0.3
1082.43164	1.0
1100.43689	4.6
1101.42871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95735	11.6
83.01364	0.1
85.02943	0.5
87.00854	0.1
89.02474	0.1
95.01394	0.1
96.96007	100.0
97.02924	0.1
97.93111	0.1
97.95947	0.2
98.95609	0.2
99.00903	0.1
99.92598	0.1
101.02435	0.1
105.53869	0.0
111.00892	0.1
112.01649	0.1
113.02445	0.3
113.92623	0.1
114.03172	0.1
115.92096	0.1
117.01931	0.5
129.01907	0.1
137.02417	0.1
139.00394	0.1
157.01384	0.0
161.00914	0.4
161.13383	0.1
184.86287	0.0
205.12378	0.1
238.98666	0.1
256.99713	0.1
259.01074	0.0
386.10800	0.0
413.21744	0.1
497.32700	0.1
499.34259	0.4
527.34583	0.1
541.34918	0.1
595.36383	0.1
605.28424	0.1
613.37616	0.3
655.38507	0.2
657.36017	0.1
675.37445	0.3
717.38574	0.2
837.42554	1.6
838.43121	0.2
879.43781	3.0
880.44049	0.4
923.41394	0.1
980.09204	0.0
999.44336	6.6
1000.45013	0.8
1017.45905	0.2
1037.38855	0.1
1097.41003	1.3
1098.41333	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6778
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	16.0
78.98575	1.2
79.95724	1.9
80.96506	12.5
80.96999	0.4
85.02943	0.7
87.00867	0.5
87.81025	0.2
90.35349	0.2
94.98082	2.8
96.95998	0.3
96.96970	0.2
97.02911	0.2
101.02424	0.5
106.98076	0.8
122.51683	0.2
122.97584	0.5
122.98456	0.5
125.02399	0.6
134.97525	0.9
134.98459	0.3
136.99069	0.4
148.99139	1.4
152.98558	0.9
152.99651	2.1
164.98619	2.4
165.98959	0.2
168.04312	2.9
206.99594	0.6
224.06900	7.2
225.00703	4.4
226.00916	0.4
242.07988	1.8
261.22269	0.3
277.21808	0.4
279.23245	86.6
280.23608	4.1
285.89474	0.2
299.04370	0.8
504.30902	100.0
505.31189	6.7
519.27246	0.9
577.26782	20.0
578.26984	20.2
578.34833	3.2
579.27155	2.4
579.35382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
78.46323	0.1
81.33247	0.1
83.01370	0.4
86.81555	0.1
91.01929	0.1
107.01372	1.7
108.02179	0.2
109.02921	0.8
121.02923	0.4
124.01663	0.2
126.92514	0.1
132.02129	0.2
133.02925	0.9
135.00928	0.3
139.04019	0.1
143.05013	0.4
145.02927	0.3
147.00909	0.3
147.04538	0.1
148.01663	0.2
149.02431	0.3
151.00356	6.7
152.00859	0.2
155.04999	0.3
157.02921	0.4
159.04489	0.3
161.02390	0.3
163.00395	0.2
163.04021	0.2
164.01170	0.2
165.01979	0.1
169.01434	0.3
169.02924	0.2
171.04488	1.0
173.02446	0.3
174.03206	0.2
175.00342	0.4
175.03970	0.8
178.99820	1.0
183.04468	0.3
185.02417	0.2
187.03958	0.7
190.99919	0.1
193.01469	0.2
193.90271	0.1
197.02411	0.3
198.03146	0.2
199.03984	3.5
200.04272	0.2
201.01923	1.1
203.03468	0.5
211.03958	0.3
213.01859	0.2
214.02625	0.2
215.03479	1.9
216.04066	0.2
225.01935	0.2
226.02654	0.7
227.03477	3.4
228.03996	0.3
229.01443	0.3
229.04808	0.2
231.03050	0.2
241.01379	0.2
242.02284	0.6
243.02954	4.4
244.03432	0.2
254.02271	0.1
255.02959	2.1
256.03522	0.2
271.02441	57.1
272.02792	2.7
273.03979	0.4
282.01569	0.5
283.02435	0.3
285.03818	0.2
299.01932	100.0
300.02618	15.8
301.03482	15.9
302.03833	0.5
313.03467	0.2
314.04343	0.1
325.03503	0.4
341.02921	0.3
343.04526	0.3
355.04102	0.1
445.07803	0.2
462.08051	0.1
463.08795	0.5
475.11176	0.4
503.10370	0.2
597.14551	0.1
623.12067	0.1
624.13287	3.8
625.13959	1.3
667.14679	0.1
771.19232	0.2
1095.30310	56.9
1096.30627	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	1087.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
82.39486	0.1
83.01379	1.8
85.02944	4.2
87.00877	0.9
89.02436	3.1
95.01376	2.6
96.96006	0.3
97.02937	0.7
99.00872	3.4
101.02423	1.2
111.00875	3.8
112.01659	0.3
113.02438	4.6
114.56082	0.1
119.03479	0.2
125.02412	0.1
129.01921	0.6
130.99857	0.2
131.03477	0.8
138.99405	0.2
139.00369	2.0
149.04526	0.2
150.53653	0.1
157.01396	0.8
160.03960	0.1
161.04544	0.4
162.05635	0.3
204.00639	0.1
221.06570	0.2
238.48746	0.1
245.06252	0.1
245.57333	0.1
407.33087	0.6
423.32648	0.2
437.34344	1.1
453.33591	1.0
455.35248	10.4
456.35510	0.9
483.34763	1.9
484.34924	0.2
497.36346	1.5
498.36392	0.2
499.34009	0.2
505.36453	0.2
511.34134	0.4
513.35187	0.1
523.38013	0.8
537.35913	1.2
538.36725	0.1
549.35938	0.4
551.28888	0.3
551.37366	4.0
552.37665	0.4
569.38403	4.3
570.38763	0.4
571.36261	1.3
587.39240	0.4
595.36401	0.3
613.37311	0.7
631.38507	1.4
632.38208	0.1
655.05408	0.1
701.42633	2.2
702.42676	0.3
763.42645	11.0
764.42981	1.3
805.43970	0.3
954.44690	0.2
997.44006	0.1
1041.49780	0.2
1042.48401	0.2
1087.53149	100.0
1088.53491	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	1093.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01375	0.8
85.02942	0.2
89.02441	0.2
93.03437	0.9
95.01376	0.1
96.96018	0.3
104.02646	0.1
104.13518	0.1
107.01385	2.1
108.02195	0.2
109.02950	0.4
113.02479	0.1
116.29556	0.1
117.03450	1.3
119.05033	0.2
121.02927	0.2
123.00911	0.1
125.02432	0.2
130.04311	0.1
131.05006	0.1
132.02162	11.1
133.03006	0.7
134.03728	3.1
135.00908	0.3
135.04477	0.5
137.02443	0.4
141.03455	0.2
143.04997	0.4
145.02945	0.1
147.04512	0.2
149.06087	0.4
151.00359	5.4
153.01944	0.2
154.04227	0.4
155.05028	0.4
157.03114	0.2
157.06631	0.1
159.04445	0.7
160.01643	28.8
161.02448	2.3
163.00360	0.7
164.01170	0.4
165.01912	0.1
167.05061	0.3
169.01405	0.5
169.02748	0.1
169.06546	0.6
171.04462	0.7
173.02412	0.2
173.06003	0.1
174.03221	0.1
175.03984	20.7
176.04301	0.6
178.02654	0.4
178.99886	0.3
179.03496	0.4
182.03699	0.4
183.04491	1.7
184.04939	0.1
185.02428	0.2
185.06033	1.0
187.03976	0.7
189.05569	0.1
190.99936	0.2
192.00618	0.2
193.05040	2.0
195.04472	0.1
199.03951	0.4
200.04550	0.3
201.05542	0.2
205.01422	0.2
211.03969	1.9
212.04642	0.1
213.01834	0.2
213.05544	0.8
214.02705	0.3
215.03395	0.2
217.05032	0.2
226.02760	0.2
227.03484	7.4
228.04004	0.4
229.05003	1.6
239.03397	0.8
240.04202	0.5
241.04976	0.7
243.03026	0.7
253.05093	0.2
255.02956	30.5
256.03476	1.7
257.04486	1.6
266.94824	0.1
267.03021	0.1
268.03790	0.2
269.04605	0.2
271.02466	1.1
283.02454	31.9
283.99921	0.2
284.03214	23.6
285.04004	100.0
286.04340	4.2
297.04013	0.4
298.04980	0.2
299.02136	0.2
299.05264	0.7
300.02768	1.5
301.03342	0.3
309.03940	0.2
327.05118	1.6
429.08328	0.9
447.09250	0.5
469.16794	0.1
483.14981	0.3
489.10349	0.2
501.15976	0.3
590.12579	0.4
591.13513	10.3
592.13916	0.6
593.15112	3.1
594.15503	0.1
608.14166	0.2
609.14532	9.3
610.14508	0.7
671.02979	0.1
769.20251	0.2
771.19678	1.7
785.19244	49.9
786.19568	5.3
827.20221	0.6
899.24536	5.7
900.25244	0.7
917.25543	4.0
918.25873	0.7
1093.30298	25.1
1094.30603	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	1095.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	1.7
85.54539	0.2
89.03979	0.5
93.03424	0.4
95.01361	0.3
101.54901	0.2
104.02650	0.4
105.03457	0.9
106.63290	0.2
107.01377	6.5
108.02222	0.4
109.02938	1.1
115.01892	0.7
117.03465	0.7
119.01410	0.3
121.02944	2.1
122.97835	0.2
123.00855	0.3
123.04488	0.3
124.01665	0.4
125.02457	0.7
132.02164	5.1
133.02943	40.8
134.03490	0.5
135.00862	0.5
135.04514	4.3
137.02405	0.4
139.03984	0.5
143.04980	0.3
145.02959	0.3
147.00813	0.4
147.04523	0.3
148.01643	0.4
149.02396	0.8
149.99596	0.5
151.00351	25.9
152.00706	0.3
159.04507	0.4
160.01616	0.7
161.02429	63.8
162.02750	1.8
163.00360	1.3
163.03911	0.3
164.01137	0.8
169.01402	1.0
171.04497	1.0
173.02415	0.4
175.00301	1.3
175.04027	1.2
178.02725	0.3
178.99846	4.7
179.03433	1.8
183.04535	0.6
185.06094	0.3
187.00287	0.2
187.04019	0.7
189.01936	0.3
190.99783	0.4
191.03433	0.2
192.00618	0.5
193.01344	0.6
199.03998	2.9
200.04388	0.3
201.02019	1.1
203.03496	0.9
205.01421	0.8
211.03995	0.9
215.03525	1.4
216.04314	0.4
217.05293	0.3
225.01979	0.2
226.02684	0.7
227.03510	3.5
228.04135	0.4
229.04965	0.6
231.02888	0.4
235.02449	0.4
242.02014	0.3
243.02968	4.2
244.03558	0.5
245.04469	0.5
255.02956	4.4
256.03525	0.6
257.04501	0.7
271.02441	52.0
272.02820	2.8
273.03918	0.7
282.01462	0.4
283.02475	0.8
284.03320	1.3
285.03998	4.3
286.04465	0.3
299.01935	70.7
300.02679	37.7
301.03488	81.8
302.03851	3.6
313.03287	0.6
325.03613	0.4
343.04538	1.7
355.06744	0.5
357.06595	0.3
373.07938	0.4
445.07617	0.9
457.09888	0.5
463.08731	1.8
464.08749	0.4
469.13507	0.4
475.10910	2.7
503.10117	0.4
505.10028	0.3
591.13519	0.5
592.74689	0.3
607.12921	1.0
609.14661	1.1
624.13336	2.2
625.14044	13.7
626.14185	0.8
637.14209	0.4
769.15948	1.1
786.16486	0.5
787.17157	44.4
788.17596	4.7
818.48285	0.3
933.24933	6.8
934.24738	0.6
1095.28174	100.0
1096.28491	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	1087.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95734	1.1
80.96507	0.4
83.01379	2.6
85.02946	6.0
86.00095	0.1
87.00860	1.0
89.02436	3.3
94.41763	0.1
94.98047	0.2
95.01386	3.2
96.96006	2.8
97.02943	1.0
99.00874	3.7
101.02437	2.1
109.49483	0.1
111.00872	4.7
112.01676	0.3
113.02441	5.5
113.03232	0.3
115.00317	0.2
119.03502	0.4
121.02894	0.2
125.02413	0.4
129.01935	0.8
130.99821	0.2
131.03499	0.8
136.35635	0.1
138.97054	0.2
139.00356	2.6
141.01944	0.2
143.03424	0.3
149.02434	0.3
149.04483	0.3
149.17979	0.1
150.03241	0.6
157.01404	0.8
159.03021	0.2
161.04575	0.6
164.04774	0.2
165.05550	0.5
191.05457	0.1
193.01369	0.2
195.06503	0.2
208.03708	0.3
221.06586	0.2
223.06093	0.5
229.76617	0.2
235.17018	0.2
238.98689	0.4
241.00209	0.2
245.06738	0.3
246.08382	0.2
256.99762	1.2
350.12912	0.2
407.33170	0.7
413.21625	0.2
423.32947	0.1
437.34232	1.3
453.33710	1.3
455.35269	11.5
456.35580	1.2
483.34747	2.3
497.36261	1.4
505.36810	0.2
511.34341	0.6
513.36273	0.2
523.37537	1.0
537.35889	1.4
538.36755	0.1
549.35724	0.5
550.36761	0.1
551.37427	4.8
552.37744	0.4
569.38422	4.5
569.72638	0.2
570.38861	0.4
571.36182	1.1
587.39465	0.3
595.36145	0.3
609.20374	1.2
609.70465	1.9
610.20331	0.8
610.71326	0.3
613.37592	0.5
631.38464	1.6
632.38867	0.2
701.42499	1.9
702.43268	0.3
763.42627	14.4
764.43024	2.1
793.43414	0.3
805.42957	0.3
909.46405	0.1
925.49969	0.2
942.53656	0.1
955.49493	0.2
967.47949	0.1
1007.39642	0.7
1008.41260	0.3
1062.13171	0.2
1087.53369	100.0
1088.53748	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95732	9.1
94.98090	0.1
96.96004	100.0
97.95950	0.2
135.99461	0.1
158.59816	0.1
542.09814	0.1
724.95062	0.1
969.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1067.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95732	9.1
94.98090	0.1
96.96004	100.0
97.95950	0.2
135.99461	0.1
158.59816	0.1
542.09814	0.1
724.95062	0.1
969.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03954	0.3
83.01373	0.5
85.02917	0.2
86.69855	0.2
89.03983	0.3
90.35255	0.1
93.03472	0.5
95.01460	0.1
95.05019	0.2
96.96020	0.5
98.19805	0.3
101.02444	0.2
104.02686	0.5
105.03449	1.4
107.01390	1.0
107.02045	0.1
108.52779	0.2
109.02951	0.2
113.02430	0.2
115.01886	0.8
117.03448	1.2
121.02969	0.2
123.04530	0.3
132.02165	6.0
133.02943	50.6
134.03421	1.0
135.00880	0.2
135.04512	7.2
136.04805	0.3
137.02396	0.3
145.02991	0.2
151.00360	2.5
159.04468	0.3
160.01660	0.4
161.02428	100.0
162.02774	2.5
163.00371	0.6
164.01143	0.3
165.01842	0.3
167.04918	0.2
169.01433	0.3
169.06564	0.3
171.04453	0.3
173.02423	0.2
173.06052	0.2
178.02734	0.2
179.03487	3.8
183.04547	0.8
185.06038	0.6
187.04002	0.5
189.05499	0.3
195.04555	0.2
198.03159	0.2
199.03967	0.5
201.05467	0.2
211.03963	1.0
213.05504	0.6
214.02643	0.2
215.03409	0.2
221.04391	0.2
227.03467	4.6
228.04013	0.2
229.05014	1.2
239.03418	0.5
240.04181	0.2
241.05054	0.3
255.02948	14.9
256.03561	1.1
257.04562	0.8
283.02454	13.8
284.03214	12.6
285.04010	80.7
286.04343	3.0
299.01834	0.2
305.07294	0.3
327.05017	0.8
429.08127	0.5
447.09171	0.6
465.14313	0.4
467.15558	0.7
468.16141	0.2
469.13525	1.5
485.12970	0.4
487.14716	0.3
591.12866	0.3
593.15271	1.4
609.04462	0.4
609.14478	6.3
610.14636	0.3
771.17682	73.7
772.18042	7.3
813.18628	0.3
917.25555	4.0
918.25873	0.4
1006.02490	0.2
1079.28735	25.6
1080.29309	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	1057.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	1.7
77.03998	0.6
81.03432	0.7
84.45680	0.5
85.02966	0.8
89.02399	0.7
93.03470	5.1
94.61198	0.5
95.01357	0.9
95.05035	1.0
96.96007	4.6
105.03456	0.7
108.02158	1.4
109.02924	3.0
113.02477	0.9
121.02945	8.2
122.03739	16.5
123.00887	1.3
123.04506	2.0
124.01665	1.1
132.02126	1.1
133.02940	3.0
134.03738	4.0
135.04500	1.9
136.01662	7.3
137.02440	9.2
139.00356	0.6
145.02945	1.2
146.03716	2.0
147.04498	1.3
148.01636	0.6
148.22882	0.6
149.02435	34.4
149.06053	6.5
150.03217	100.0
151.00417	3.5
151.04004	16.6
152.04753	2.0
153.01910	1.1
153.05536	0.9
160.01649	0.8
161.02423	1.8
161.06071	1.3
162.03229	1.9
163.03932	1.1
164.04782	8.2
165.01903	1.9
165.05556	87.0
166.02705	9.3
166.05910	2.4
167.03448	1.6
173.02321	0.6
175.03966	1.7
176.01050	0.8
176.04716	0.8
177.01920	1.3
177.05525	4.1
178.02736	1.2
179.03522	2.3
179.05606	1.0
179.07111	8.9
180.04289	5.8
180.07423	0.6
181.05060	12.3
183.79945	0.5
184.03714	1.1
187.04002	1.4
191.03493	0.7
193.05045	1.5
195.06602	37.8
196.06841	0.8
205.05052	4.0
207.06633	1.1
219.06598	2.2
220.07355	2.8
315.08768	1.3
329.10272	1.7
341.10263	1.1
346.39963	0.6
355.12085	0.8
371.11295	1.0
387.10358	1.5
387.14511	1.9
401.12363	0.8
402.13190	1.3
403.13916	1.1
416.14618	1.0
417.15512	8.9
505.15527	0.9
520.17084	1.2
535.16321	2.3
549.17255	0.9
550.17889	2.8
564.19891	2.6
565.20807	25.7
566.20679	2.6
595.21863	4.5
612.21948	1.4
613.22821	16.3
614.23230	2.1
619.21454	2.3
662.14874	0.7
667.23901	2.9
685.25195	1.1
713.14001	1.2
713.25995	20.0
714.26001	2.2
725.26208	1.3
743.26984	11.5
744.27191	1.3
761.28131	32.7
762.28333	4.3
773.28412	3.3
791.29193	8.6
792.29163	0.8
809.30194	39.4
810.30457	3.8
1057.46057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99301	1.5
75.00867	2.6
78.69562	0.0
79.95731	8.9
85.02933	0.5
87.00833	0.1
95.01372	0.1
96.96003	100.0
97.93109	0.1
97.95943	0.2
99.00903	0.2
111.00866	0.1
113.02444	0.4
115.00350	0.3
116.98292	0.6
117.01897	0.0
118.96656	0.1
130.96597	0.1
130.99854	0.1
133.01416	0.2
139.00389	0.1
147.22719	0.1
157.01337	0.1
158.99310	0.1
164.25261	0.1
184.97597	0.1
210.99213	0.1
241.03529	0.0
291.03333	0.1
341.30420	0.0
423.33621	0.0
453.33646	0.1
455.35333	0.4
497.36365	0.2
555.37488	0.1
569.38312	0.8
570.38733	0.1
613.37225	0.2
627.39331	0.2
631.38495	0.3
632.38733	0.1
729.34570	0.1
775.42560	0.1
789.44342	0.4
793.43677	2.1
794.43256	0.2
833.43665	0.3
849.42975	0.1
851.44183	1.5
852.44733	0.2
865.94952	0.1
881.44556	0.1
888.36359	0.1
893.41577	0.4
894.42230	0.1
909.44757	3.3
910.45062	0.5
953.43768	7.6
954.43976	1.4
991.38489	1.1
992.38892	0.1
1051.40015	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00877	1.7
77.03998	0.6
81.03432	0.7
84.45680	0.5
85.02966	0.8
89.02399	0.7
93.03470	5.1
94.61198	0.5
95.01357	0.9
95.05035	1.0
96.96007	4.6
105.03456	0.7
108.02158	1.4
109.02924	3.0
113.02477	0.9
121.02945	8.2
122.03739	16.5
123.00887	1.3
123.04506	2.0
124.01665	1.1
132.02126	1.1
133.02940	3.0
134.03738	4.0
135.04500	1.9
136.01662	7.3
137.02440	9.2
139.00356	0.6
145.02945	1.2
146.03716	2.0
147.04498	1.3
148.01636	0.6
148.22882	0.6
149.02435	34.4
149.06053	6.5
150.03217	100.0
151.00417	3.5
151.04004	16.6
152.04753	2.0
153.01910	1.1
153.05536	0.9
160.01649	0.8
161.02423	1.8
161.06071	1.3
162.03229	1.9
163.03932	1.1
164.04782	8.2
165.01903	1.9
165.05556	87.0
166.02705	9.3
166.05910	2.4
167.03448	1.6
173.02321	0.6
175.03966	1.7
176.01050	0.8
176.04716	0.8
177.01920	1.3
177.05525	4.1
178.02736	1.2
179.03522	2.3
179.05606	1.0
179.07111	8.9
180.04289	5.8
180.07423	0.6
181.05060	12.3
183.79945	0.5
184.03714	1.1
187.04002	1.4
191.03493	0.7
193.05045	1.5
195.06602	37.8
196.06841	0.8
205.05052	4.0
207.06633	1.1
219.06598	2.2
220.07355	2.8
315.08768	1.3
329.10272	1.7
341.10263	1.1
346.39963	0.6
355.12085	0.8
371.11295	1.0
387.10358	1.5
387.14511	1.9
401.12363	0.8
402.13190	1.3
403.13916	1.1
416.14618	1.0
417.15512	8.9
505.15527	0.9
520.17084	1.2
535.16321	2.3
549.17255	0.9
550.17889	2.8
564.19891	2.6
565.20807	25.7
566.20679	2.6
595.21863	4.5
612.21948	1.4
613.22821	16.3
614.23230	2.1
619.21454	2.3
662.14874	0.7
667.23901	2.9
685.25195	1.1
713.14001	1.2
713.25995	20.0
714.26001	2.2
725.26208	1.3
743.26984	11.5
744.27191	1.3
761.28131	32.7
762.28333	4.3
773.28412	3.3
791.29193	8.6
792.29163	0.8
809.30194	39.4
810.30457	3.8
1057.46057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	6.2
71.31895	1.6
72.99317	3.9
73.02943	0.9
73.95106	0.7
75.00869	33.7
83.01389	5.2
84.02158	1.0
84.04544	2.1
85.02946	24.7
87.00863	9.9
87.10835	0.7
90.78979	0.9
94.02997	2.3
95.01385	6.1
96.04556	1.9
96.96011	2.3
97.02913	1.1
99.00878	3.5
101.02423	1.0
108.04543	3.0
109.83801	0.7
111.00857	5.2
112.01674	4.5
112.04034	13.8
113.02433	14.4
115.00378	1.0
123.34059	0.8
124.04033	0.9
126.05604	1.4
128.01741	1.2
128.03517	1.1
129.01964	1.5
136.04013	4.1
139.00394	1.4
151.04028	0.9
154.05124	3.0
157.01450	1.9
172.06165	1.2
174.13423	0.8
175.02512	1.1
177.04225	1.7
232.02895	2.2
249.02748	0.9
437.34299	2.3
455.35239	10.6
456.35489	0.9
497.36258	4.6
509.07617	1.0
511.34567	1.1
523.38184	1.2
569.38422	18.9
570.38611	1.4
571.36407	1.3
587.39917	1.9
613.37030	1.1
631.38403	15.3
632.38660	1.9
673.39777	1.0
724.44250	1.0
786.44305	4.0
793.43744	100.0
794.43976	11.2
837.42731	1.3
846.40973	1.6
864.41992	5.0
948.49475	93.7
949.49579	13.0
964.47473	1.2
982.48041	1.9
992.49286	1.1
1026.47498	59.9
1027.48315	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
51.37833	0.9
53.03743	1.0
59.01092	1.3
59.01377	17.6
71.61221	0.9
72.99302	66.2
73.99644	0.9
75.00869	22.6
87.92524	2.3
102.82454	0.9
105.01927	100.0
106.02291	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	1023.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95732	7.0
81.67830	0.0
85.86504	0.0
96.96004	100.0
97.95934	0.1
98.20635	0.1
113.92621	0.0
127.88783	0.0
225.33580	0.0
532.75238	0.0
610.15015	0.0
632.92719	0.0
756.35052	0.0
925.47650	0.3
984.06024	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1024.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
74.02480	0.1
79.95729	7.2
96.95999	100.0
97.95930	0.1
115.08772	0.1
116.05037	0.2
125.07159	0.1
129.10257	0.1
137.77000	0.1
139.60045	0.1
153.06619	0.2
155.08217	0.2
159.09308	0.1
170.09378	0.2
189.06674	0.1
203.08226	0.2
267.18274	0.1
305.51218	0.1
316.16269	0.1
329.19727	0.1
343.59775	0.1
371.16943	0.1
527.26111	0.1
632.17267	0.1
712.28442	0.1
783.27539	0.1
829.34680	0.1
837.42480	0.1
882.40540	0.3
920.36365	0.1
923.80798	0.1
926.44037	2.1
927.43951	0.4
1024.19360	0.1
1024.40808	2.3
1025.40955	0.4
1057.00928	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	16.0
72.99303	9.2
73.02949	5.7
75.00873	12.3
81.03451	1.7
83.01384	5.7
85.02944	11.4
87.00839	1.9
89.02445	6.4
95.01374	6.8
96.96006	5.6
97.02918	0.9
99.00862	7.7
100.98793	0.9
101.02431	2.4
111.00884	9.0
111.87190	0.8
113.02439	8.9
115.00423	0.8
116.98280	1.1
129.01938	0.9
130.24196	0.7
130.99811	1.0
136.01671	1.2
139.00348	5.1
143.03474	2.2
155.03505	0.9
157.01437	1.6
171.71025	0.9
194.51790	0.8
203.72684	0.7
217.03667	0.9
243.36938	0.7
453.33939	1.1
455.35355	10.5
469.36807	1.1
483.34964	1.3
497.36395	1.4
523.37805	1.4
551.37335	3.2
564.81256	0.8
565.39636	0.9
569.38373	4.8
629.37012	1.6
689.38617	3.0
701.42065	3.2
763.42688	61.9
764.42969	8.2
805.43774	34.6
806.43805	4.5
927.89819	0.9
967.48920	100.0
968.49329	14.4
1011.45013	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	1013.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	13.4
72.99302	56.4
73.02943	1.0
75.00867	100.0
81.03459	0.8
83.01376	1.8
84.02147	0.6
85.02943	32.7
87.00872	3.6
89.02442	2.2
95.01376	5.2
96.96004	1.6
97.02943	2.9
97.06633	0.7
98.38694	0.5
99.00874	6.5
99.04545	0.6
99.97223	0.5
100.98804	1.4
101.02466	0.9
103.00381	1.4
109.02929	2.4
111.00883	2.0
112.01651	1.4
113.02443	22.3
115.00354	10.7
116.01180	0.8
116.98294	25.5
117.01924	1.0
124.33475	0.4
125.02448	1.4
129.01930	1.5
130.99876	1.7
133.01405	7.4
143.03471	0.5
150.03189	0.5
153.01889	1.5
157.01443	1.1
158.99300	1.5
165.01921	0.7
171.02927	0.5
174.98810	2.0
175.02432	1.0
231.77644	0.5
233.03078	0.6
259.39636	0.5
291.03531	4.8
391.26373	1.5
393.27960	8.0
394.28293	0.7
419.29575	0.8
421.31186	1.5
425.30786	0.9
435.28943	1.3
449.30566	0.6
451.32126	1.2
453.29904	0.6
495.31238	1.3
497.32825	4.0
507.30823	0.8
515.33923	1.5
525.32166	0.6
539.33826	1.0
553.32245	0.7
565.35028	1.5
611.36029	3.4
629.36920	7.1
630.37512	0.9
655.34869	0.9
667.56830	0.5
669.36566	1.1
673.35889	7.0
687.37354	7.7
688.37964	1.0
691.36823	9.6
692.37341	1.5
731.35864	1.2
733.38141	1.8
789.38019	0.6
807.37988	3.4
835.41296	2.3
849.42517	9.0
850.44104	1.3
853.42169	59.7
854.42487	8.1
882.81506	0.7
893.41827	10.3
894.42206	1.3
909.41357	2.3
911.42767	37.1
912.42993	5.0
941.44904	1.2
953.40247	6.1
954.40472	1.0
969.43256	66.6
970.43323	11.3
1013.42200	35.7
1014.42548	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	1011.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	14.3
71.63224	0.6
72.99302	58.8
73.02927	0.6
75.00866	100.0
76.01202	0.7
79.95731	1.1
80.81766	0.5
81.03452	1.0
83.01384	2.5
84.02161	1.1
85.02946	27.7
87.00867	4.2
89.02460	2.5
95.01385	4.2
96.96011	6.8
97.02955	2.5
99.00874	6.7
100.98803	1.2
101.02438	2.1
102.05556	0.5
103.00355	1.3
109.02962	3.0
111.00872	2.3
112.01648	1.4
113.02441	18.2
115.00367	9.8
116.98296	25.9
117.01920	1.5
119.03455	0.7
125.02441	1.6
129.01953	1.7
130.99866	1.5
133.01436	8.1
139.00356	0.7
150.03223	1.3
153.01923	1.3
157.01447	1.8
158.99376	1.5
165.05595	0.8
166.02670	0.7
170.31795	0.6
174.98822	2.3
175.02419	0.8
181.60103	0.5
193.04994	0.7
209.04478	0.8
233.02998	0.8
251.95547	0.6
291.03561	5.2
301.10776	0.9
349.18793	0.5
409.27435	5.1
425.68365	0.8
431.21298	0.7
435.29276	1.2
436.29840	0.6
449.30594	0.9
451.28311	1.7
467.31680	9.1
468.31897	1.1
495.31107	0.8
509.33002	4.1
510.32611	0.6
513.32196	2.9
521.32587	0.7
523.30463	4.0
527.12982	0.6
551.33850	0.7
567.32849	1.4
581.34912	10.5
582.34277	0.6
591.33136	0.6
599.36493	0.8
609.34137	2.1
613.33893	1.7
627.35388	8.0
628.35901	0.6
643.35071	1.5
669.36847	0.6
671.34436	2.9
685.35828	6.6
686.35730	0.6
689.35425	10.5
713.35101	0.8
727.37354	1.5
729.34460	0.7
731.36548	2.2
777.36816	0.9
805.36389	5.8
806.37524	0.7
833.40112	3.0
847.40936	7.6
851.40601	59.8
852.40857	7.4
891.40100	10.4
907.39270	1.0
909.41174	34.5
910.42059	4.2
919.58514	0.7
939.42041	1.9
951.39081	5.1
952.38959	1.1
967.41663	67.7
968.42102	9.7
1011.40692	36.9
1012.40930	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	1005.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	9.4
71.62714	2.1
72.99302	1.8
73.02925	1.4
75.00878	6.7
83.01360	2.3
85.02945	6.9
89.02431	2.7
95.01375	5.6
96.95989	6.7
99.00870	5.7
108.05901	1.2
111.00864	6.6
113.02454	7.9
122.03735	2.1
128.42761	1.4
130.20547	1.3
139.00371	2.7
150.03215	7.5
157.01334	1.8
165.05537	6.7
195.06581	4.8
206.59700	1.4
315.49850	1.3
367.52548	1.4
398.04205	1.3
453.61850	1.7
499.34598	3.2
613.37134	4.0
614.37952	1.6
626.98523	1.5
745.41425	2.9
807.42114	3.7
969.46912	100.0
970.47485	13.8
971.48151	3.3
972.49133	1.6
1005.45135	2.1
1039.38501	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	1009.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	18.5
72.99302	7.4
73.02944	3.0
73.03284	0.4
75.00868	14.6
79.95732	18.8
80.96508	10.3
83.01395	5.3
85.02443	0.5
85.02948	9.7
87.00864	5.8
89.02447	3.1
94.98078	1.0
95.01366	3.1
95.95237	2.9
96.96003	64.3
97.02968	0.9
98.19824	1.2
99.00877	17.8
101.02431	6.7
103.00396	0.8
105.03474	0.5
110.62600	0.5
111.00881	9.5
113.02438	10.0
115.00345	1.9
116.98266	0.5
120.96019	2.2
121.02948	57.7
122.03288	1.3
127.00382	0.5
129.01915	4.4
131.03545	0.5
135.04459	0.6
136.13332	0.5
138.97069	6.2
139.00388	0.7
154.96561	0.7
157.01414	1.0
159.02979	2.0
161.04518	1.2
166.96552	0.7
174.12108	0.5
177.04008	1.1
182.96336	0.4
192.98129	0.7
210.99158	2.0
229.53952	0.5
235.17049	2.6
238.98634	9.6
239.98862	0.5
241.00226	3.9
246.48483	0.5
251.16490	1.1
256.99704	26.5
259.01248	3.6
337.07663	0.9
395.20474	0.5
413.21808	2.4
419.05228	0.6
470.65253	0.6
499.34412	0.6
577.69012	0.5
613.37085	0.5
631.22455	0.6
675.37909	0.7
759.45276	0.5
767.31354	1.3
837.42365	1.1
895.42999	0.7
929.36426	21.4
930.36090	3.1
953.43689	1.1
954.44965	0.6
980.48248	0.6
997.41870	0.6
1009.32135	100.0
1010.32477	14.9
1019.39978	1.1
1020.39423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95200	0.9
71.11903	0.2
80.99438	0.2
83.01374	0.5
96.96015	0.3
100.84586	0.2
107.01371	1.5
108.02134	0.3
109.02988	0.6
116.05138	0.2
119.01337	0.2
121.02970	0.2
123.04504	0.3
128.27687	0.2
133.02957	0.6
135.00900	0.2
143.05019	0.5
145.02930	0.2
147.00851	0.4
151.00368	4.4
153.01840	0.3
153.05542	0.5
155.05035	0.2
157.02975	0.3
159.04524	0.3
171.04472	0.8
173.02350	0.4
175.03996	0.6
178.99799	0.7
183.04486	0.2
187.03955	0.5
199.04008	3.1
201.01901	0.7
203.03542	0.3
211.03944	0.3
215.03458	1.6
226.02740	0.6
227.03462	3.0
228.04073	0.2
242.02081	0.6
243.02943	3.7
255.02954	2.5
262.49548	0.2
271.02441	51.6
272.02744	2.2
282.01501	0.4
299.01935	100.0
300.02600	15.7
301.03476	9.5
302.03796	0.5
303.84671	0.2
313.03525	0.3
343.04401	0.2
388.69916	0.2
410.40265	0.2
429.41397	0.2
463.08667	0.3
475.10638	0.3
576.19482	0.2
616.22321	0.2
624.13361	4.1
625.13910	0.9
637.13525	0.4
919.23773	0.7
948.18494	0.2
961.24530	55.6
962.24866	7.2
984.61926	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	1.5
71.63148	0.8
72.99298	1.1
74.42453	0.7
75.00868	1.7
85.02942	0.7
89.02396	0.8
93.03424	3.8
95.01351	1.0
96.95995	5.1
108.02164	0.7
109.02929	5.7
113.02480	1.7
121.02952	7.1
122.03732	11.8
123.00885	2.0
123.04531	1.2
124.01649	1.3
125.02428	1.5
132.02110	0.9
133.02939	1.6
134.03731	2.9
135.04501	1.9
136.01666	9.1
137.02428	29.2
138.03188	1.3
139.00374	0.7
146.03682	2.0
147.00827	1.0
147.04459	1.4
148.01617	1.4
149.02425	26.9
149.06081	2.0
150.03207	74.4
151.00366	9.4
151.04005	20.2
152.01085	2.5
152.04710	2.6
153.01906	2.3
153.05519	0.9
159.04509	1.1
161.02438	1.2
162.03172	2.0
163.00276	0.7
163.03970	1.5
164.01132	3.0
164.04767	9.2
165.01910	100.0
165.05545	68.3
166.02701	26.5
166.05852	1.9
166.90787	0.8
167.03436	3.1
175.03996	2.2
176.04738	0.9
177.01913	3.5
177.05544	6.9
178.02705	1.4
179.03490	23.0
179.07071	9.9
180.04263	54.3
181.05043	38.7
182.05460	1.3
187.03964	2.5
190.06274	0.8
191.03526	1.9
191.07030	0.9
192.04251	2.5
193.05046	3.5
194.05804	4.5
195.02917	2.5
195.06596	89.0
196.06927	2.4
203.03450	1.1
205.05067	4.9
206.05800	1.0
207.06602	3.1
209.06483	1.0
209.08167	3.5
210.05315	9.1
211.05962	1.2
219.06586	2.4
220.07339	3.5
223.06032	1.0
225.07645	27.2
231.06323	0.8
251.09262	1.0
314.07861	0.7
315.08368	0.7
329.10291	1.0
345.09802	1.1
357.50824	0.7
359.11447	1.4
369.13406	1.4
372.12378	1.1
373.12906	5.9
387.10663	3.1
387.14636	2.4
388.11346	1.3
402.13306	2.6
403.13950	3.1
416.14584	2.0
417.15479	20.9
417.21048	1.4
418.15527	0.9
421.14868	6.7
535.15973	1.9
549.62903	0.8
550.18658	2.3
564.19550	1.0
565.20868	11.2
571.02081	0.8
580.19556	1.1
581.20276	0.9
594.20782	7.2
595.21796	24.1
596.22375	2.5
612.21582	1.3
613.22839	12.5
614.23486	1.2
618.80695	0.8
625.23047	2.1
629.21423	1.7
643.23816	10.1
667.24170	2.1
728.56610	0.7
743.27014	13.3
744.27118	1.2
773.28070	7.0
774.29297	0.8
791.29150	32.0
792.29980	3.8
795.69885	1.0
803.29645	2.1
821.30231	8.0
822.30621	1.5
839.31158	35.9
840.31946	4.3
953.33502	0.8
1001.42987	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07078	0.1
69.22449	0.6
69.22854	0.3
71.07381	2.3
79.05492	0.1
81.07056	0.4
83.08617	0.1
86.09709	25.8
86.19748	0.1
87.10049	0.1
91.05491	0.1
93.06995	0.1
95.08617	0.2
95.43898	0.1
98.21504	0.2
98.98473	2.1
104.10052	0.2
104.10748	2.6
104.64412	0.1
107.08681	0.1
125.00012	18.5
166.02673	0.1
184.07349	100.0
185.07655	0.4
202.49699	0.1
244.96480	0.1
258.11029	0.2
321.81427	0.1
337.27353	0.2
451.89539	0.1
502.32959	1.7
520.34015	24.6
521.34430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.09610	0.6
71.01374	1.6
71.62854	1.7
75.00858	0.6
79.95733	0.7
89.02431	1.2
93.03442	5.7
95.01401	1.3
96.69845	0.7
96.96014	2.7
108.02214	0.9
109.02929	4.7
113.02437	0.9
114.49923	0.7
121.02942	6.6
122.03729	15.4
123.00902	2.0
123.04486	1.9
123.71512	0.6
124.01672	1.4
133.02946	2.1
134.03709	2.6
135.04510	2.8
136.01645	8.9
137.02429	26.5
137.05927	0.7
138.10913	0.7
139.03984	1.1
146.03757	1.4
148.01695	1.0
149.02428	31.6
149.06078	1.9
150.03210	98.0
151.00359	8.9
151.04002	24.4
152.01192	1.7
152.04727	2.6
153.01929	1.4
154.02710	0.8
159.04488	1.1
161.02400	1.4
161.06018	1.4
162.03238	1.7
163.03949	1.4
164.01112	2.0
164.04784	6.0
165.01915	96.9
165.05548	80.6
165.07011	1.5
166.02693	26.2
166.05940	2.1
167.03468	2.2
175.03947	2.2
176.04819	1.3
177.01923	3.3
177.05583	3.9
178.02658	1.2
179.03481	22.2
179.07077	9.5
180.04260	56.6
181.05037	45.6
182.05386	1.2
184.03786	1.4
187.03990	1.6
190.06367	0.9
191.03447	1.4
192.04231	2.5
193.04988	2.5
194.05769	4.0
195.02914	3.1
195.06599	100.0
196.07092	1.4
205.05035	5.2
206.05713	0.8
207.06592	3.0
209.08179	6.8
210.05276	9.5
211.05965	1.2
219.06573	2.1
220.07323	4.4
221.08078	1.1
225.07654	35.7
226.08044	0.7
233.08182	0.8
293.89230	0.6
305.80081	0.7
315.08777	0.9
329.10309	1.5
339.08551	0.7
341.09988	1.1
355.11444	0.8
359.11365	0.9
371.11453	1.1
372.11966	0.7
373.12820	2.8
387.10654	2.8
387.15082	3.5
388.11218	1.1
402.12912	2.8
403.13934	3.4
416.14771	1.9
417.09995	1.3
417.15482	20.8
418.15771	1.5
421.14786	5.0
451.16174	1.4
451.39026	0.7
453.16949	1.0
462.08167	0.7
535.15698	1.4
549.17493	1.0
550.18329	1.5
564.19849	2.5
565.20874	16.7
566.21332	1.6
594.20782	3.1
595.21802	16.1
596.21954	1.8
612.21735	1.5
613.22729	13.0
614.23035	1.1
619.20972	0.9
625.22479	2.4
642.22845	1.5
643.23901	12.9
644.24268	1.0
667.23584	1.0
670.90204	0.8
697.24927	1.1
743.26929	13.6
744.26648	1.9
755.27484	1.0
773.27887	8.4
774.27856	1.1
791.29181	26.4
792.29279	3.3
803.29187	2.3
805.66296	0.8
821.30493	7.9
822.29462	1.8
839.31152	48.4
840.31055	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	977.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	0.7
69.07060	1.2
69.98445	0.9
69.98857	0.5
70.06598	0.7
71.12778	0.3
77.00921	0.6
79.05494	1.3
81.07059	5.4
83.08615	0.7
85.02900	1.7
86.09717	0.4
89.00903	0.4
91.05467	1.6
93.07043	3.1
95.08609	8.8
97.02894	0.7
97.10186	0.5
97.72379	0.3
99.00588	3.4
99.04505	0.3
101.00913	1.0
105.07023	2.4
107.08599	3.8
109.02905	0.4
109.10157	5.1
109.10869	0.5
117.07045	0.4
119.01929	2.8
119.08585	4.6
120.08912	0.4
121.10156	4.2
123.11713	2.3
131.01944	1.4
131.08601	1.2
133.03539	0.4
133.10139	2.3
135.01492	0.5
135.11681	2.6
137.13249	2.7
143.01968	1.2
145.03505	0.6
145.04875	0.4
145.10124	1.5
147.01463	0.4
147.11670	1.9
149.13254	2.7
153.02551	0.4
155.01950	1.4
157.03552	0.4
159.01443	0.5
159.11742	0.8
161.02931	1.7
161.13322	1.3
161.32137	0.4
163.14894	1.2
171.01468	1.2
173.03033	1.4
173.13319	0.8
174.99443	0.3
175.00926	1.1
175.14836	1.3
177.02533	0.5
177.16447	0.7
181.01019	0.3
185.02834	0.5
185.04240	3.3
187.14922	0.9
189.02580	0.9
189.16402	3.8
190.16817	0.4
191.04062	0.6
191.17966	2.5
192.18317	0.8
193.02005	0.4
199.02359	0.4
199.14821	0.4
201.00061	5.4
201.02562	0.6
201.16397	4.6
203.04111	1.0
203.17975	2.6
204.18393	0.4
205.19508	1.9
213.16490	0.8
215.17972	3.7
217.01929	0.8
217.19676	0.5
221.05075	3.1
229.02014	0.5
231.03598	0.7
241.19530	0.6
243.21303	0.4
245.02885	0.4
245.05110	0.3
247.03136	0.6
247.17061	0.6
249.18295	0.3
255.21330	0.5
257.02817	1.4
261.04730	1.0
261.18671	0.6
269.02893	0.5
275.02652	0.5
275.98889	0.3
279.05768	1.0
293.03693	0.4
305.03836	0.4
313.01819	1.0
315.03204	2.1
319.05499	0.4
331.02643	2.0
359.02213	10.4
359.06476	0.7
377.03192	12.0
393.35541	0.6
395.03079	7.9
400.03696	0.4
418.04718	0.8
439.30890	0.4
439.36179	1.2
440.36316	1.0
441.36453	0.4
442.37369	0.5
461.33829	0.6
468.23093	0.4
521.06567	1.2
623.39117	3.4
641.40155	3.9
815.38110	1.4
857.42657	2.6
915.43256	1.2
959.42944	0.7
977.43567	100.0
978.43750	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	974.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.4
69.07067	7.4
70.00687	0.8
71.01354	1.3
71.08633	0.7
73.02924	0.9
74.76558	0.2
75.04440	0.2
77.02408	0.6
77.03902	0.3
79.05489	4.8
79.07776	0.2
80.33629	0.2
81.03419	0.7
81.07057	19.2
83.01339	0.3
83.08150	0.3
83.08620	5.4
85.02904	8.7
86.09686	0.2
87.00799	0.3
89.02393	0.2
91.05469	3.9
93.07043	14.2
94.07386	0.2
95.01335	2.2
95.04965	0.4
95.08606	41.0
96.08916	0.5
97.02888	2.4
97.10165	4.2
99.00823	0.7
101.02371	0.5
103.03943	0.5
103.05453	0.4
104.03493	0.5
105.01874	0.5
105.04513	0.2
105.07030	8.3
107.08594	23.8
109.02899	0.3
109.06514	0.3
109.10155	26.1
110.10513	0.5
111.08103	0.2
111.11697	1.5
113.02367	2.8
115.03943	0.3
117.01871	0.2
117.06997	1.0
119.08579	18.1
120.08901	0.3
121.10143	25.4
122.10441	0.2
123.00732	0.2
123.11703	14.2
124.12009	0.2
125.02338	0.7
125.09573	0.3
125.13232	0.2
127.03919	1.1
129.07074	0.3
131.03384	1.1
131.08562	3.8
133.10132	15.4
134.10464	0.3
135.11691	17.9
136.12032	0.4
137.06021	0.3
137.13254	10.2
139.07555	0.6
141.01826	13.1
143.08571	0.9
145.04947	0.5
145.10117	7.6
147.11688	12.5
149.13258	21.2
150.13585	0.4
151.07562	0.4
151.14835	1.1
153.09105	2.1
155.03401	0.4
157.10126	0.8
158.10959	0.2
159.02893	8.3
159.11702	4.7
160.12434	0.4
161.04445	0.2
161.13260	8.6
163.02406	0.5
163.06059	0.2
163.07509	0.2
163.14827	7.7
164.15079	0.2
165.09177	0.4
165.12817	0.2
167.07068	0.3
167.10687	0.8
171.02884	1.3
171.11708	1.2
173.04446	0.3
173.13278	4.6
175.14825	7.5
177.03973	2.4
177.09157	0.2
177.16383	7.3
179.10701	1.6
179.17978	1.4
180.08679	0.7
181.03464	0.5
183.02835	0.2
185.13303	0.7
186.13988	0.5
187.14836	4.0
189.16382	27.4
190.16740	0.6
191.10699	0.8
191.17946	52.1
192.18259	1.3
193.12271	0.6
193.15939	0.5
193.19534	0.7
199.14775	1.3
200.05481	0.2
201.16382	32.8
202.16701	0.7
203.17953	35.8
204.18329	1.1
205.19516	30.6
206.19853	0.5
207.13802	0.6
207.17412	1.3
211.14662	0.3
213.16367	2.6
214.17166	0.2
215.17955	16.5
216.18307	0.5
217.03445	1.2
217.15965	0.6
217.19511	9.0
219.13921	0.3
219.17542	1.1
219.21065	1.0
221.15419	1.4
221.19060	0.8
223.16971	0.4
225.16333	0.3
227.01935	0.3
227.17973	1.6
229.15916	0.3
229.19481	2.0
231.17526	1.0
231.21049	3.0
233.15271	1.0
235.04500	0.3
235.14969	0.1
235.16913	4.9
241.19485	3.0
243.21082	6.0
245.02937	2.7
245.15422	0.3
245.22647	3.4
247.16939	22.7
248.17273	0.5
249.18498	5.5
250.19073	0.2
255.21085	3.0
257.22650	2.1
259.16919	1.1
261.18497	10.7
262.18869	0.2
263.03976	3.0
269.22586	2.0
271.24228	0.4
273.18521	0.5
275.20078	0.8
281.05020	1.8
283.21402	0.2
283.24319	0.7
287.20004	1.6
289.18625	0.3
289.21643	3.1
295.24249	0.3
297.25873	0.5
301.21658	1.5
303.23120	0.4
311.27240	0.3
315.23163	2.1
321.04407	1.0
323.27536	0.2
329.24814	0.7
339.05502	1.4
341.24890	0.4
343.26288	0.7
351.30530	0.6
355.26318	0.8
356.08261	1.3
356.12018	0.3
369.27951	0.2
393.35156	14.9
394.35522	0.4
395.36142	0.2
411.00439	0.3
411.36295	1.2
421.34671	1.4
439.35709	100.0
440.36133	3.0
441.36407	0.8
451.14536	0.2
471.21570	0.2
583.39801	0.3
645.77838	0.2
913.16864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	1.2
69.53828	1.2
70.06574	0.9
71.04951	0.2
72.08141	0.2
73.02887	0.2
75.04455	0.2
77.03915	0.2
78.04701	2.4
79.05495	1.2
81.03388	0.7
82.04173	0.6
84.08122	0.5
85.02901	2.4
86.09685	0.4
91.05478	4.2
93.03418	0.9
94.04201	0.3
95.04959	1.2
97.02882	0.9
97.06521	0.6
98.21510	0.2
99.04410	0.2
102.04713	0.2
103.05470	2.2
105.03374	0.2
105.04463	0.2
105.07032	0.3
106.04171	1.6
107.04964	2.2
108.02046	0.3
109.02859	0.4
109.06494	0.2
110.03650	1.7
111.04408	1.0
115.05450	5.0
117.07019	8.1
119.04941	4.6
119.08562	0.4
120.08136	0.2
121.02892	0.2
121.03964	0.2
121.06500	0.3
122.03645	0.6
123.04428	6.4
124.05193	2.2
125.05999	1.5
127.03915	0.3
127.05437	1.5
128.06163	0.3
129.07002	0.2
129.10237	0.2
130.04129	0.5
131.04906	1.2
132.05673	0.4
133.02835	0.7
133.06509	0.4
134.03601	0.4
135.04396	0.4
137.02364	0.2
137.05977	8.3
138.03104	0.7
142.02594	1.1
143.04921	0.7
144.05704	0.5
145.02835	0.4
145.06483	13.1
146.03635	0.2
147.04407	5.5
147.08043	1.1
148.05106	0.3
149.05960	0.4
150.03085	0.2
151.03900	2.0
151.07536	1.3
152.04680	2.4
153.05450	2.5
155.04944	0.3
155.06030	5.7
157.06442	0.2
158.82677	0.2
159.04344	0.3
159.08041	0.3
160.05188	0.7
161.06003	1.0
162.06725	0.3
163.03854	0.4
163.07559	0.3
165.05547	0.8
167.07034	100.0
168.07388	0.5
171.06525	1.4
172.05247	0.4
173.05986	24.0
174.06688	0.4
175.07547	1.5
176.04716	0.3
177.05490	0.8
179.07010	1.4
181.04950	45.4
182.05229	0.3
183.06403	0.2
185.05841	0.2
187.03822	0.2
188.04683	0.3
189.05400	0.4
190.06276	0.4
191.07056	0.9
193.08618	0.3
195.06454	0.2
199.18018	0.2
201.05498	1.3
203.07016	2.8
205.06622	0.4
205.08592	6.3
207.06456	0.4
207.08247	0.3
207.10097	0.4
213.05568	0.3
217.08504	0.2
219.06432	0.9
219.08266	0.2
220.07190	0.2
221.06064	0.3
221.08124	0.7
222.06606	0.4
223.07494	0.3
227.06969	0.3
231.06447	1.3
233.06039	0.3
233.08063	5.1
233.10435	0.3
234.06715	0.4
234.08928	0.4
235.07523	0.4
235.09642	5.0
237.09088	0.4
237.64384	0.2
239.07260	0.2
245.08049	0.2
247.07585	0.3
249.05376	0.4
250.06256	0.7
251.07016	0.3
253.08673	0.2
263.07053	0.4
264.07782	0.4
265.08606	0.8
267.06497	0.3
267.10229	0.4
271.09656	0.3
277.04953	0.2
278.05682	0.2
279.06500	0.4
280.07315	0.4
281.08054	0.2
282.08929	0.5
283.09698	0.5
289.37982	0.2
291.06699	0.2
293.08157	1.1
294.08759	0.3
295.06143	0.3
295.09695	0.4
296.10178	0.3
297.11304	1.4
299.09265	0.2
299.12936	0.3
305.08218	0.2
307.09692	0.2
309.07755	0.3
310.08401	1.0
311.09103	0.5
313.10379	0.2
314.07831	0.2
314.11273	0.2
322.08389	0.2
322.17963	0.2
323.08957	0.4
325.10626	1.8
326.11505	0.7
327.08853	0.2
329.13910	0.5
341.10251	0.2
342.11032	0.4
353.10236	0.7
354.11093	0.4
355.11884	0.5
357.13300	6.0
359.23230	0.4
367.11560	0.4
369.13440	0.5
370.14343	0.3
376.92667	0.2
383.11084	0.2
384.12012	0.3
385.12796	15.4
386.13617	0.7
387.14423	2.7
397.12769	0.6
399.14502	0.3
403.13840	0.8
415.13882	1.4
416.14752	0.5
417.15424	7.5
515.16821	0.3
547.19366	0.3
549.20001	0.6
565.19989	0.3
577.19189	0.4
583.21741	2.0
591.68121	0.2
595.21313	0.3
613.22772	77.7
614.22894	1.3
775.28027	28.7
776.28473	0.8
971.35126	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03525	1.5
67.05479	1.4
68.77644	1.4
70.06598	4.6
71.51959	2.1
74.97581	3.3
79.05486	3.5
81.07025	4.7
84.96038	7.8
86.09704	4.2
89.03921	2.7
91.05481	47.4
93.07036	19.7
95.04977	9.8
95.08594	4.0
95.78889	1.5
98.97590	19.7
99.19270	1.5
103.05467	14.4
105.04475	3.1
105.07001	2.0
107.04950	2.8
107.08607	2.1
109.10152	3.3
110.97565	7.4
115.05462	2.2
116.98642	8.7
117.03362	5.9
119.04926	21.1
119.08611	1.9
120.05721	2.3
121.06506	100.0
121.10159	3.0
128.98599	6.2
132.98083	5.0
133.02823	6.2
134.03636	1.6
134.99590	2.4
135.04375	5.7
136.05174	4.8
136.07539	7.4
137.05988	25.7
143.00121	4.7
143.04851	1.7
144.98082	1.9
145.02835	11.0
146.99614	2.1
149.02309	1.6
149.05939	5.7
149.13277	1.9
150.06735	7.7
150.99135	7.6
151.03886	3.8
151.07533	62.3
152.98605	1.9
158.99706	3.2
161.01221	2.8
163.03879	3.2
164.07010	8.0
169.00273	2.3
170.99641	6.7
175.03891	2.5
175.07503	5.2
177.05490	18.2
179.86491	1.9
186.99031	3.5
188.04675	1.6
189.00688	5.5
189.03708	1.9
190.98663	2.0
191.06989	4.0
191.17886	2.3
201.05396	44.0
201.16331	2.7
205.06421	2.8
206.98122	4.0
207.08064	3.1
215.17921	2.4
218.07436	1.9
219.01753	12.3
219.07959	2.1
220.01991	2.7
220.05272	4.7
226.05052	3.1
232.99736	2.7
233.05997	2.3
235.07538	20.6
237.02846	16.2
237.09082	4.4
238.03073	1.7
244.06010	3.3
247.07562	3.4
248.04686	4.5
249.05475	3.5
249.09012	2.7
250.06248	3.0
252.07813	2.2
256.06110	2.1
263.07040	30.5
264.07788	2.3
265.04987	3.4
265.08545	11.8
267.10202	2.5
272.12900	1.6
276.07767	2.4
280.07300	9.1
280.10205	1.5
282.08826	9.0
283.09497	1.9
289.04843	2.3
291.06546	12.3
291.09583	2.7
292.07361	4.4
293.07953	3.8
295.03314	2.0
295.09601	4.6
297.11121	5.1
299.12589	3.7
304.07187	2.2
307.09625	6.1
308.06720	14.7
309.07480	3.3
310.08234	2.7
315.06454	2.7
320.12799	3.1
321.07678	2.2
323.09161	54.7
325.00702	2.2
325.10724	13.4
332.06464	4.4
339.10553	2.4
347.09097	7.2
349.10608	7.2
351.08582	11.1
364.11584	4.2
365.00195	6.5
366.00330	2.8
367.09570	2.4
368.10950	5.7
375.08591	22.9
383.01111	3.8
383.08923	2.6
385.10547	1.8
413.10410	3.2
418.09091	5.7
428.12527	3.5
437.10324	2.1
442.16339	5.7
451.03793	1.8
456.11884	4.2
460.17697	7.6
465.09781	3.8
469.12637	5.8
471.14380	20.7
471.84042	1.8
477.30161	2.5
479.21512	2.2
482.09540	4.8
488.17087	36.6
495.31613	2.4
496.31436	6.4
497.12286	9.7
499.13806	3.1
509.04822	1.8
512.16815	7.0
514.32874	3.1
516.15997	2.7
527.05701	2.3
538.14789	5.2
542.18140	13.1
568.16022	30.8
608.22821	3.6
634.20703	28.6
640.36310	2.6
657.36926	1.8
658.37274	3.7
662.19464	4.5
664.20984	5.1
666.23108	13.4
675.23505	3.8
676.38239	2.3
692.21234	11.0
705.24225	16.7
713.35638	2.4
714.35706	3.6
731.37036	3.3
732.36737	10.5
733.38379	2.2
734.39008	11.4
771.29022	41.3
799.28259	22.9
801.30054	15.4
803.32074	2.6
804.35571	2.1
822.36768	2.1
829.29681	74.2
830.29681	2.3
862.39465	3.6
890.38409	5.6
966.40308	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	970.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05022	1.4
69.07071	0.4
69.91228	0.3
69.91630	0.5
70.06593	23.9
70.31345	0.2
71.01159	0.2
72.04523	0.6
72.08157	8.2
74.06081	12.5
77.03941	0.2
78.19164	0.2
81.07050	0.3
82.06590	0.9
84.04504	7.5
84.08152	0.7
85.04039	0.2
86.06071	0.2
86.09706	38.5
91.05476	1.7
93.07048	1.9
95.04963	0.4
95.08620	0.5
96.04469	0.4
96.08141	0.5
100.03983	0.4
100.07628	0.3
101.07127	0.7
103.05466	7.0
105.04502	0.3
105.07079	0.2
107.04981	0.2
110.02426	0.5
110.06045	0.6
110.09689	0.5
112.03966	0.4
112.07634	0.2
112.11262	0.8
115.05461	0.3
115.50241	0.2
117.05809	0.2
118.06531	1.8
120.08105	100.0
121.06506	0.6
121.08440	0.5
124.07590	0.3
124.11226	0.5
126.05505	0.4
126.09174	0.7
126.12852	0.2
127.05036	1.3
127.08700	0.5
128.03436	1.3
130.05067	0.4
130.06528	2.9
132.08076	1.8
136.07552	0.3
138.05508	0.4
138.09151	0.8
139.08685	0.4
140.14410	0.2
141.06590	0.3
141.10216	0.7
141.13828	0.6
142.06514	0.6
142.08656	0.4
142.12285	1.1
143.07301	0.7
143.11783	0.3
144.08075	3.7
145.02840	0.4
146.06013	6.4
146.43547	0.2
151.08653	0.3
152.10675	0.4
153.06659	0.2
153.10239	1.8
154.04941	0.2
154.06549	0.2
155.08194	0.3
156.06569	1.4
156.08022	0.4
157.07571	0.2
158.08388	0.9
159.09178	5.2
160.07561	0.3
165.10249	0.9
167.07059	0.2
168.08134	0.8
169.07613	4.8
169.09732	9.6
169.13411	0.8
170.06010	3.0
170.08174	2.6
170.09587	0.4
171.09126	0.9
172.07535	0.2
175.66890	0.2
177.05496	0.5
177.61325	0.2
180.08023	0.3
181.06165	0.7
181.09720	13.9
182.08403	0.2
182.09877	0.2
183.09201	0.7
183.11298	1.8
184.07632	0.6
184.09708	0.5
185.07056	0.4
186.09111	2.0
186.10551	0.2
187.08681	0.7
187.14417	2.2
188.07066	14.3
189.10211	0.3
193.06088	0.2
193.07639	0.3
193.09657	0.3
195.09187	1.5
195.10995	0.2
196.07549	0.7
196.09955	0.2
197.07077	0.7
197.09163	0.4
197.10757	1.3
197.12842	1.3
198.09221	0.3
199.08839	0.3
199.10780	1.2
200.07097	0.3
201.05362	0.2
201.10242	0.2
203.17929	0.3
205.09741	7.0
207.11343	0.4
208.10796	0.3
209.09215	7.7
209.11072	0.4
209.12521	1.3
210.12453	0.4
211.08672	6.2
212.07028	1.4
212.11832	0.6
213.06622	0.2
213.10239	0.8
214.08649	0.4
215.08167	6.0
215.13945	0.6
217.09737	0.6
223.08728	1.4
224.07040	0.4
225.10320	0.2
225.12257	2.6
227.08134	0.3
227.15474	0.3
228.11391	0.2
229.09653	0.5
232.10680	0.2
235.10722	1.4
237.08691	0.6
237.12355	0.4
237.16008	0.5
239.08182	2.4
239.10324	0.3
241.09744	1.2
252.13441	0.7
253.12012	0.5
254.11447	0.6
256.10806	0.2
257.09235	1.2
259.10635	0.4
263.10281	2.7
266.18536	0.4
267.07596	0.2
268.14374	0.5
270.14520	0.4
272.17520	0.3
273.15918	0.9
274.11841	0.7
278.18790	0.2
280.12811	2.5
281.11295	2.8
283.14410	0.7
285.08698	2.2
292.14114	0.2
295.14471	0.3
298.13947	6.7
299.13943	0.2
300.16986	0.3
307.14111	0.3
308.13931	0.4
309.16040	0.2
310.15604	1.4
311.13821	0.3
314.84445	0.2
316.16656	0.2
318.18146	6.1
322.17731	0.3
328.16537	5.5
328.19983	0.2
338.14850	0.4
339.13571	0.4
339.20294	0.5
348.19260	0.9
356.16055	5.2
365.21725	1.5
366.20316	3.5
367.19849	1.7
373.18607	0.5
383.22913	3.2
384.15253	0.6
393.21323	16.9
394.19708	1.0
396.15558	0.3
404.15741	0.3
411.22375	15.9
419.22958	0.3
421.18555	0.7
427.19504	0.9
439.19516	0.2
445.20724	0.6
467.19360	1.3
485.20139	0.4
497.21582	0.6
534.26611	0.5
540.27673	0.5
552.28613	0.9
553.27521	0.2
554.25983	1.8
567.27081	0.2
569.30396	0.3
570.29199	0.5
580.18823	0.3
580.27679	4.3
592.93793	0.2
597.30475	0.9
598.28815	1.4
609.25928	0.3
615.30963	1.1
635.28186	2.6
653.29236	2.3
744.36694	0.4
748.36365	1.8
756.32758	0.3
762.37115	0.6
765.93860	0.2
766.36639	0.6
776.32898	0.4
839.37488	1.8
857.37457	0.8
880.42993	0.3
889.41882	0.4
896.45459	0.2
898.44305	0.3
906.44763	1.3
907.42688	0.4
924.46179	2.8
926.45520	0.4
934.42944	0.5
942.47388	3.0
952.45789	5.4
953.46350	0.2
970.46997	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	968.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.8
67.44186	0.3
68.05054	0.5
69.03430	2.6
69.07081	1.0
70.06595	1.6
71.04990	0.4
71.51868	0.3
71.52300	0.5
72.04518	0.7
73.02943	1.0
78.04710	0.3
79.05509	0.9
80.05022	1.2
81.03419	3.2
81.07063	2.5
82.06554	0.3
83.04987	0.7
83.08624	0.4
84.04503	8.4
85.02879	0.8
86.09698	0.7
91.05479	0.8
93.07054	2.1
95.04980	0.5
95.08607	4.2
96.04494	14.4
97.02892	4.5
98.06058	8.6
99.04462	2.0
100.03996	0.6
101.02377	0.5
105.07016	2.3
107.08582	3.1
108.04504	0.5
109.02875	3.8
109.10172	2.2
110.06062	0.6
114.05540	1.2
117.03394	0.5
119.08583	2.6
121.06513	1.3
121.10130	2.4
123.11719	1.4
124.03964	0.5
126.05521	20.6
127.03902	2.1
131.08578	1.0
133.10118	2.2
135.11719	1.8
137.06042	0.7
137.13243	0.4
138.05507	100.0
139.05872	0.3
140.07062	0.4
141.01816	0.5
144.06564	24.9
145.02818	0.7
145.10147	1.2
147.11694	2.2
149.13240	1.3
151.07460	0.4
152.07079	1.0
159.11688	0.7
161.13278	1.0
162.07642	0.3
163.04025	0.4
163.14833	2.4
167.07100	0.7
168.06566	23.6
173.13155	0.6
175.14853	2.6
177.05486	1.7
177.16409	1.1
178.09755	0.3
183.87027	0.3
186.07622	24.5
187.14873	2.4
189.16368	2.8
191.17944	4.9
201.05397	0.4
201.16466	1.5
203.17973	6.3
204.08682	60.6
205.19543	1.0
215.17952	1.2
217.19540	0.7
219.01811	0.5
229.19479	0.6
231.21164	0.5
243.21211	0.4
245.05183	0.7
265.53351	0.3
310.17126	0.3
344.15891	0.3
393.35223	4.0
411.35959	0.4
439.35773	2.3
548.19202	0.4
624.42023	0.4
854.99695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	56.8
69.03427	2.4
69.06726	1.0
69.07070	11.9
69.79376	1.2
69.79780	2.5
71.04984	1.8
71.08616	0.7
73.02930	4.1
77.03935	0.8
79.05498	36.2
81.03420	1.4
81.07061	61.0
83.04982	1.5
83.08632	7.5
85.02911	16.9
85.06557	1.4
87.04485	0.7
90.24109	0.5
91.03960	10.9
91.05486	23.3
93.07050	44.8
94.41388	0.6
95.04955	2.5
95.08614	50.3
97.02903	7.9
97.06512	2.6
97.10175	4.3
98.21401	1.0
99.04465	1.2
99.08096	1.3
103.05437	0.7
105.04502	0.8
105.06313	0.7
105.07038	20.8
107.08598	24.6
109.02897	0.9
109.06535	1.2
109.10165	22.8
111.08078	1.6
111.11669	0.6
113.09676	0.6
115.03954	0.9
117.07024	7.6
119.08586	17.4
121.10151	23.2
121.90298	0.6
123.08086	1.8
123.11716	9.1
125.09627	1.5
127.03916	3.8
127.45076	0.7
129.07022	2.1
131.08577	12.5
131.87202	0.5
133.10139	15.4
135.11697	16.2
137.09607	1.0
137.13278	3.2
137.90184	0.6
139.11198	0.8
143.08575	1.8
145.04979	6.3
145.10115	11.1
147.11707	11.2
149.09666	0.7
149.13269	10.1
151.11191	1.0
157.10118	2.4
159.11707	9.8
161.13281	9.1
163.06042	7.8
163.14839	5.6
171.11667	2.7
173.13271	8.0
175.14818	4.3
177.16388	1.9
183.11635	0.7
185.13274	3.1
187.14871	4.0
189.16428	1.2
191.14546	0.8
197.13310	1.1
199.14859	2.3
201.16409	2.4
203.17944	1.2
205.15858	0.6
213.16507	0.8
215.18001	1.3
217.19543	1.0
219.17358	0.6
221.02753	0.5
231.21066	1.0
233.22963	0.6
241.19603	3.0
243.21094	6.0
245.22647	0.9
259.20557	8.8
261.22174	20.1
263.23700	2.0
271.20789	0.6
273.22162	0.9
277.21567	0.7
279.23129	1.3
285.22238	0.7
287.23602	0.9
299.23483	1.4
303.23019	0.6
315.23303	1.1
317.24881	3.9
333.24213	9.2
335.25818	100.0
336.26151	1.1
337.27393	14.0
363.29004	0.6
487.38391	0.6
503.36768	0.8
521.43628	2.9
531.39941	0.7
539.44257	1.3
543.40344	1.6
595.47192	19.6
613.48279	28.3
614.48163	0.7
964.56042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	7.6
69.24071	0.4
69.24479	1.3
70.06597	1.0
70.79549	0.2
71.04994	5.3
72.08139	0.3
75.04478	0.3
76.76842	0.2
81.03394	0.3
83.04971	0.3
84.04516	0.3
84.08142	0.5
85.02908	7.1
86.09714	0.4
89.03914	3.1
91.05467	0.4
93.03439	0.2
97.02888	0.8
98.20664	0.2
99.04451	0.4
100.11278	0.3
103.05482	0.2
106.04120	0.2
109.02876	0.6
110.07187	0.3
111.04465	0.3
111.90414	0.2
117.03381	11.5
118.03770	0.2
118.10458	0.2
120.08032	0.3
121.02866	0.4
127.03915	3.3
129.05467	1.8
131.04866	0.4
134.03619	0.8
135.04411	0.8
137.05957	0.7
139.03882	0.3
145.02846	41.2
147.04428	0.3
147.06529	0.4
149.05986	4.9
151.03893	0.3
151.07542	0.2
153.01837	2.1
157.06554	0.2
161.05887	0.2
162.03084	0.3
163.03929	1.1
167.07065	0.2
173.97012	0.2
175.03885	0.2
177.05467	100.0
178.05814	0.8
186.05498	1.2
187.07498	0.2
195.06551	1.5
201.05440	0.4
203.07004	0.3
207.06418	0.2
217.04866	0.2
217.08437	0.2
218.05743	0.2
228.04135	0.4
229.04910	1.1
231.06520	0.5
233.08122	0.5
241.82216	0.2
243.06560	0.2
246.05151	0.6
246.14934	1.0
257.04465	1.1
261.07550	0.9
267.80283	0.2
273.03900	0.6
274.04721	1.5
279.06607	0.2
285.03900	1.5
302.04211	4.6
317.06555	39.1
318.06836	0.3
321.09668	8.3
323.11240	0.3
339.10748	23.7
359.07449	0.3
407.97809	0.2
453.33984	0.4
479.11667	0.7
485.16672	1.2
491.28964	1.6
508.26569	0.3
634.92865	0.2
663.92126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.366
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	1.6
70.06584	3.0
70.85979	1.4
70.86308	1.3
79.05499	1.7
81.07076	1.1
84.08145	1.5
85.02909	1.3
86.09722	1.1
89.03938	1.4
91.05477	17.4
93.07041	18.7
94.04189	1.8
95.04980	5.5
95.08613	2.2
95.97574	1.0
103.05473	14.0
105.03396	1.1
105.04532	1.5
107.04955	4.8
109.06524	1.1
117.03376	1.4
119.04935	2.6
119.08565	1.3
120.05754	4.7
121.06507	100.0
121.92978	0.9
122.03639	1.7
123.04443	1.6
126.14491	0.9
130.04170	1.0
133.02882	7.8
133.10167	1.6
135.04414	3.6
136.07565	9.2
137.05991	21.6
138.05502	2.9
138.09099	1.1
141.03366	0.8
144.04462	1.6
145.02870	2.8
147.11768	1.3
149.05978	3.5
150.06769	1.3
151.03931	5.9
151.07571	1.2
152.07086	6.4
153.07312	1.3
162.05498	2.5
163.03923	2.3
163.07542	1.2
163.14734	0.9
164.04768	1.7
164.07083	8.2
165.05424	1.9
167.07077	1.1
171.04431	1.3
175.04054	1.2
177.05469	4.9
177.16322	0.8
185.06020	2.1
185.77171	0.9
189.07063	2.6
191.07025	1.3
201.05287	4.7
204.08781	1.4
207.08095	3.4
218.07178	1.0
219.08076	2.6
220.05272	3.5
225.05473	1.5
231.08046	1.2
233.05998	1.9
233.09628	1.4
234.06766	1.9
235.07547	21.4
235.09804	1.6
237.09079	1.5
246.06743	1.0
247.07585	3.0
248.08299	2.5
250.06349	1.3
259.07471	1.2
261.05627	2.5
261.09143	3.9
262.06305	2.2
263.07043	30.4
264.07767	2.1
265.04959	1.6
265.08713	1.2
267.10190	1.2
275.07092	1.8
276.07864	2.2
277.08621	2.0
278.05746	2.9
279.06430	1.3
280.04208	1.2
280.07346	4.4
280.10760	1.3
283.10474	1.0
289.05029	1.7
289.08530	2.1
291.06595	5.2
291.09888	2.1
292.07065	1.3
293.08075	3.5
296.10336	1.7
304.07281	2.2
305.07828	1.7
306.08838	2.2
307.09402	2.9
308.06815	4.6
310.04703	1.4
310.11032	1.4
311.10565	1.2
313.10547	1.7
315.06476	3.6
319.09705	1.7
320.12909	2.8
321.07733	2.7
321.11252	6.5
323.09137	16.3
325.09341	1.8
332.06821	3.6
333.07629	1.4
335.08008	1.1
338.08334	1.9
339.11060	8.7
347.09146	13.3
349.10846	9.6
350.09525	1.2
353.07571	1.2
363.10278	1.2
365.12131	1.1
366.08820	2.4
367.09738	2.3
369.11261	1.2
375.08560	20.6
381.11237	2.8
382.12305	1.1
383.08875	4.3
385.10736	3.6
388.11792	2.4
394.89307	1.0
395.08829	1.8
396.09778	1.9
398.11841	1.6
409.10577	3.2
410.11450	1.2
411.08215	1.2
413.10028	4.8
414.11169	1.1
415.15176	1.0
418.09088	3.5
421.10690	1.4
423.08801	1.6
427.11920	1.3
428.12585	5.2
437.10150	2.8
438.10864	1.7
439.07166	1.8
439.11890	3.0
441.09048	1.5
441.14230	1.8
442.16583	16.3
453.13269	2.0
454.10480	4.3
455.11136	2.7
456.12018	6.2
464.09372	1.2
465.09686	6.4
467.07074	1.4
469.12839	13.0
470.16080	7.7
471.14380	44.6
472.14267	1.3
482.09891	6.0
482.16052	2.9
483.10693	1.3
484.17960	1.5
486.14920	1.9
493.11557	2.1
495.12744	1.5
497.12372	21.3
501.17081	2.0
510.15018	2.0
512.17230	7.1
514.14966	1.2
536.13660	5.7
538.14990	11.8
550.17365	1.1
589.26062	1.0
595.84009	1.1
606.20984	2.8
608.23102	5.6
632.19232	6.4
634.20758	52.8
635.21118	1.2
636.22070	2.0
652.21387	1.2
662.20166	6.4
663.22809	1.6
673.21332	3.0
675.23444	4.8
769.27545	20.5
771.29071	69.8
772.29108	1.3
797.27094	57.1
798.26837	1.5
799.28613	96.3
800.28290	2.4
815.27344	2.1
834.11682	1.0
835.74139	1.3
934.34979	8.7
966.03851	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.282
Annotation	Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
68.99789	0.1
69.03079	0.1
69.03433	1.3
70.04640	0.3
71.01344	0.1
71.04995	5.6
73.02923	0.5
75.04466	0.3
81.03419	0.5
83.01360	0.2
83.04987	0.5
85.02908	11.8
87.04486	0.3
91.03963	0.7
91.65150	0.1
92.02649	0.2
93.03413	0.3
95.04993	0.1
95.31718	0.1
97.02896	2.2
99.04491	0.3
100.16930	0.1
101.02384	0.1
103.03928	0.1
109.02883	0.7
111.00845	0.1
111.04465	0.4
112.85167	0.1
115.03908	0.1
117.03367	0.1
121.02865	0.5
123.04430	0.1
126.03170	0.2
127.03926	2.0
129.05492	1.9
135.04466	0.1
137.02350	0.4
139.03932	0.7
145.02939	0.2
145.04967	2.6
147.06523	1.0
149.06036	0.1
150.03099	0.1
151.03914	1.5
151.05115	0.1
153.01828	3.9
163.04004	0.4
163.06026	1.0
165.01830	0.5
177.05478	0.8
183.02971	0.2
200.04575	0.1
201.05455	0.4
203.03378	0.1
215.03481	0.1
217.05038	0.2
218.05774	0.2
219.02942	0.1
228.04155	0.6
229.04962	1.8
231.02954	0.2
239.03461	0.2
243.06557	0.2
245.04442	0.5
246.05266	0.9
255.08711	0.1
256.03680	0.1
257.04456	1.8
260.03235	0.2
261.07556	0.3
271.05988	0.3
273.03937	1.0
274.04752	3.1
275.05344	0.1
284.03198	0.4
285.03937	3.4
286.04755	0.1
287.05280	0.1
288.06259	0.1
299.05508	0.1
301.03265	0.1
302.04218	11.4
303.04938	0.3
315.05121	0.1
316.05829	0.1
317.06558	100.0
318.06934	1.2
329.06500	0.5
341.06750	0.2
355.08359	0.1
359.07663	1.4
383.07785	0.6
395.07913	0.1
409.09088	0.1
413.08313	0.1
425.08456	0.1
427.10226	0.2
443.10049	0.1
445.11319	0.3
461.10669	0.6
463.12567	0.5
479.11862	14.7
480.12012	0.2
482.51218	0.1
641.17078	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2826
Annotation	Isorhamnetin 3-rhamnosyl-(1->2)-gentiobiosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
68.88615	0.1
68.99786	0.1
69.03429	0.8
69.43323	0.5
71.01360	0.1
71.04994	9.2
73.02515	0.1
73.02914	0.8
75.04487	0.6
76.64754	0.1
76.92677	0.1
81.03419	0.4
83.04981	1.6
85.02905	15.1
87.04453	0.3
91.03956	1.3
92.02613	0.3
93.03406	0.4
95.04952	0.1
97.02892	1.9
99.04455	0.3
101.06040	0.1
103.03938	0.1
109.02890	0.4
111.00822	0.1
111.04446	1.1
115.03915	0.1
116.93387	0.1
121.02869	0.5
123.04446	0.1
126.03149	0.2
127.03918	1.4
129.05481	3.9
137.02365	0.2
137.05894	0.1
138.97758	0.1
139.03905	0.8
145.02840	0.1
145.04961	1.1
147.06517	2.3
150.03059	0.1
151.03909	0.8
151.05009	0.1
153.01823	3.6
163.03931	0.2
163.06018	0.9
165.01823	0.6
165.07655	0.1
177.05507	0.5
183.02933	0.1
201.05469	0.2
203.03346	0.2
217.04964	0.2
218.05804	0.2
219.02962	0.1
219.06465	0.1
228.04216	0.5
229.04988	1.6
230.05399	0.1
231.02930	0.1
233.04463	0.1
237.07683	0.1
243.06497	0.1
245.04498	0.4
246.05261	0.8
255.08487	0.3
256.03683	0.1
257.04449	2.0
260.03204	0.2
261.07480	0.3
271.05939	0.2
273.03897	1.1
273.09708	0.2
274.04730	3.4
284.03076	0.3
285.03934	3.9
286.04657	0.1
287.05548	0.1
288.06158	0.2
291.10764	0.1
299.05429	0.1
301.03433	0.1
302.04218	12.6
303.04703	0.2
309.11826	0.1
316.06131	0.1
317.06546	100.0
318.06949	1.2
329.06589	0.4
341.06851	0.1
355.08090	0.1
359.07635	0.7
383.07684	0.4
413.08594	0.1
425.08414	0.1
427.10419	0.1
443.09686	0.1
445.11407	0.1
461.10406	0.3
463.12335	0.1
479.11847	32.0
480.11798	0.4
490.41595	0.1
625.17487	0.1
641.16998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20670	0.1
68.99798	0.3
69.03432	8.0
70.06583	0.1
71.04995	6.0
71.24484	0.1
73.02914	0.2
74.09650	0.1
75.04468	0.2
78.04721	0.1
81.03407	0.4
83.01331	0.1
83.04969	0.5
84.08086	0.1
85.02907	7.9
86.56770	0.1
87.04454	0.2
89.03912	3.2
91.03919	0.1
91.05469	0.1
95.04961	0.1
97.02901	0.9
99.04459	0.3
103.05485	0.3
106.04152	0.2
109.02876	0.5
111.00787	0.3
111.04456	0.3
117.03377	10.8
121.02843	0.2
123.04436	0.1
127.03917	3.6
129.04529	0.1
129.05482	2.6
131.04947	0.1
134.03621	0.7
135.04416	1.1
137.02359	1.2
137.05974	0.4
145.02847	41.6
146.03201	0.2
147.04454	0.2
147.06526	0.8
149.02374	0.2
149.04770	0.2
149.05981	3.8
153.00696	0.2
153.01825	1.3
155.04944	0.2
157.06480	0.1
158.06006	0.2
159.04404	0.1
161.06018	0.2
162.03133	0.1
163.03903	4.2
163.07547	0.1
165.01820	0.7
167.06992	0.1
172.05243	0.1
173.06006	0.3
175.03955	0.1
175.07596	0.1
177.05470	100.0
178.05769	0.6
179.07031	0.1
183.02902	0.3
183.04370	0.2
186.05464	0.9
187.07501	0.2
189.05478	0.2
191.07014	0.1
195.02867	0.1
195.06540	1.3
199.07428	0.1
201.05472	1.0
203.07039	0.2
205.05011	0.3
214.93504	0.1
215.07076	0.2
217.08635	0.1
219.06529	0.2
229.04955	1.9
231.06461	0.2
233.08043	0.5
243.06351	0.1
245.08128	0.1
247.06015	0.3
247.08878	0.1
257.04456	1.0
261.07639	0.9
274.04749	0.3
285.04089	0.7
287.05737	0.1
291.08646	0.2
302.04181	0.2
303.04996	39.4
304.05353	0.4
305.10260	0.1
307.08276	0.2
315.04947	0.3
317.06650	1.2
321.09698	8.3
323.11288	0.4
325.09204	0.5
327.05078	0.1
339.10754	24.8
340.11111	0.2
345.06018	0.4
369.05927	0.1
417.21228	0.1
436.51321	0.1
449.10013	0.2
465.10272	0.8
485.16565	1.3
822.09387	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	944.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05182	0.5
67.05508	6.8
69.03432	2.3
69.07068	8.0
69.65361	1.9
70.06589	0.4
71.01339	0.6
71.08610	0.4
73.02917	6.2
77.03951	0.3
79.05490	4.2
81.03397	0.4
81.07057	18.2
83.08624	5.0
84.08122	0.6
85.02908	5.0
85.10056	0.3
86.43858	0.3
87.04464	0.5
91.05460	3.8
93.07044	13.5
93.83222	0.3
95.01335	1.9
95.04982	0.6
95.08607	37.0
97.02892	6.2
97.10172	3.2
98.21492	0.5
101.36282	0.3
103.03934	0.5
105.07034	7.9
106.22510	0.3
107.08596	19.6
109.02873	0.3
109.10156	22.8
111.08064	0.4
111.11697	1.0
113.02361	0.5
115.03924	3.5
117.07010	0.9
119.07701	0.5
119.08582	16.3
121.10145	23.5
123.11706	13.9
125.06030	0.4
125.09660	0.3
127.03899	0.8
127.38443	0.3
131.08586	3.3
133.04977	2.6
133.10132	13.8
135.11696	16.8
137.06026	0.4
137.12181	0.5
137.13257	8.7
139.07458	0.4
141.01822	9.7
143.08551	0.9
145.04959	1.6
145.10120	6.3
147.11693	10.6
149.06003	0.4
149.13260	19.7
150.07646	0.8
151.07495	0.4
151.14882	0.9
153.09134	1.7
157.10155	0.8
159.02890	3.4
159.11694	4.0
160.12392	0.3
161.09662	0.5
161.11984	0.7
161.13258	8.0
161.14594	0.4
163.06021	0.7
163.14825	5.7
167.10718	0.5
171.11690	1.2
173.13258	4.4
175.14815	6.8
177.03943	0.7
177.05394	0.4
177.16377	5.6
179.10698	1.5
179.17947	1.1
180.08659	0.5
185.13251	0.8
187.14815	3.5
189.16386	22.4
190.16711	0.4
191.10751	0.5
191.17947	41.9
192.18280	0.6
193.12314	0.6
193.15961	0.3
193.19461	0.7
199.14844	1.0
201.16385	27.5
203.17957	31.3
204.18263	0.4
205.19522	25.3
207.13809	0.7
207.17482	1.4
213.16341	2.6
215.17944	12.8
217.07047	0.6
217.16109	0.6
217.19521	7.3
219.05016	0.8
219.17407	1.0
219.21054	0.8
221.15358	1.3
221.18994	0.3
227.17911	1.3
229.19554	1.5
231.17482	0.8
231.21030	2.3
233.15506	0.4
235.16937	4.9
241.19498	2.1
243.21065	3.9
245.22643	3.0
247.16940	18.9
249.18480	4.7
249.40770	0.3
255.04991	0.9
255.21024	2.1
257.22668	1.9
259.17072	0.7
261.18451	7.0
269.22638	1.7
273.06052	3.6
273.18518	0.6
275.20007	0.5
283.24176	0.5
287.20120	1.2
289.21686	1.9
291.06998	1.7
295.10138	0.5
301.21512	0.9
309.08078	1.6
315.23257	1.6
321.08194	0.8
326.10831	0.7
343.26324	0.5
355.26498	0.5
393.29901	0.6
393.35141	12.2
411.36176	0.8
421.34796	0.8
439.35718	100.0
440.36023	2.3
535.37518	0.4
553.38733	0.5
749.91620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	7.1
69.03432	2.7
69.07070	9.8
69.41710	2.1
70.06598	0.4
71.01373	0.4
71.08630	0.7
73.02924	5.0
77.03925	0.4
79.05492	4.7
81.03400	0.3
81.07056	21.4
82.07362	0.3
83.08617	6.0
85.02910	5.4
85.10165	0.3
86.09724	0.4
87.04440	0.4
91.05473	4.4
93.07044	15.4
95.01324	1.2
95.08608	43.1
97.02889	5.9
97.10160	4.3
105.04552	0.3
105.07031	9.6
107.08597	24.8
108.08929	0.4
109.02892	0.3
109.10156	28.8
111.08064	0.6
111.11718	1.8
115.03928	3.8
115.15113	0.3
117.07027	0.8
118.80596	0.2
119.08582	18.5
121.10144	27.1
122.10464	0.4
123.11706	15.9
125.05952	0.3
125.13261	0.2
127.03920	1.0
129.06993	0.3
131.08574	4.1
133.04977	1.8
133.10133	17.3
135.11693	20.0
137.06030	0.3
137.13258	10.5
139.07530	0.8
141.01845	6.5
143.08600	0.6
145.04933	1.2
145.10118	6.4
147.10503	0.6
147.11690	12.9
149.13264	21.8
150.07683	0.5
151.07513	0.6
151.14821	0.8
153.09108	2.3
157.10117	1.0
159.02898	1.7
159.11684	4.4
161.09605	0.4
161.13257	9.1
163.05997	0.6
163.14818	7.3
165.09030	0.5
167.07054	0.5
167.10677	1.1
171.11694	0.8
173.13275	4.8
174.13864	0.6
175.11266	0.3
175.14833	7.9
177.03951	0.6
177.16388	6.1
177.17834	0.4
179.10674	1.6
179.17961	1.3
181.05180	0.4
181.12141	0.2
183.41681	0.2
185.13275	0.6
187.14796	3.6
189.16380	27.9
190.16728	0.6
191.10719	0.6
191.17949	51.8
192.18237	0.7
193.12184	0.6
193.16005	0.3
193.19478	0.5
199.14810	1.2
201.16382	30.8
202.16699	0.6
203.17958	37.5
204.18349	0.8
205.19516	28.1
206.19957	0.3
207.13899	0.6
207.17407	1.5
213.16440	2.6
215.17950	13.8
217.16095	0.5
217.19510	9.1
219.17436	1.0
219.21112	0.8
221.15384	0.9
221.18961	1.0
223.16904	0.6
227.17882	1.6
229.19482	1.9
231.17485	0.7
231.21106	2.8
233.15421	0.9
235.16910	5.7
241.19455	2.4
243.21059	4.6
245.22691	3.4
247.16942	20.2
249.18517	5.8
255.04982	0.6
255.21094	2.6
257.22681	1.9
259.16946	1.0
261.18497	8.4
269.22598	2.1
271.24069	0.4
273.06070	1.4
273.18539	0.4
275.20041	0.8
281.22604	0.3
283.24225	0.6
287.20035	1.2
289.21683	2.1
291.07135	0.8
295.10281	0.7
297.25766	0.8
301.21622	1.0
303.23270	0.4
309.08069	0.9
309.25931	0.4
315.22986	1.3
321.08179	0.6
329.24689	0.4
337.29083	0.4
343.26556	0.5
355.26300	0.9
360.36139	0.3
369.27829	0.7
383.29422	0.3
393.35144	12.4
411.36249	0.8
421.34589	1.2
439.35718	100.0
440.36115	3.9
511.70743	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
66.59041	0.5
67.05506	7.6
69.03414	1.4
69.07069	10.1
70.06593	0.6
71.08633	0.5
71.52225	0.5
73.02901	1.1
77.02414	3.8
79.05490	5.1
80.03815	0.3
81.07063	20.4
83.01341	0.6
83.08172	0.3
83.08625	6.0
83.43882	0.3
85.02909	9.2
87.87115	0.3
91.05468	4.4
93.07051	15.4
95.01308	1.1
95.08611	41.5
97.02886	3.2
97.10168	4.0
101.02361	0.7
103.03930	1.1
103.05476	0.4
105.07032	10.2
107.08601	23.9
109.10162	28.7
110.93628	0.3
111.08009	0.4
111.11704	1.4
113.02399	1.8
117.06991	0.8
119.08588	19.1
121.06551	0.4
121.10148	26.5
123.11714	15.8
125.13300	0.6
129.01865	0.6
131.03403	1.2
131.08583	4.6
133.10133	16.4
134.10449	0.4
135.11702	20.3
137.13274	10.7
139.07515	0.7
141.01830	8.4
143.08549	1.0
145.02954	0.4
145.10133	9.3
147.11699	12.8
149.05815	0.4
149.13266	21.7
151.02408	3.6
151.07535	0.4
151.11121	0.3
151.14825	1.1
153.09094	2.3
155.08607	0.4
157.10129	0.8
159.02899	5.1
159.10432	0.6
159.11694	5.4
160.12527	0.5
161.11977	0.7
161.13254	8.4
163.14825	7.6
167.10649	0.9
171.11665	1.1
173.13278	5.3
175.14824	8.1
176.27393	0.3
177.03986	4.1
177.05432	0.4
177.16405	6.6
179.10712	1.4
179.17891	1.8
180.08713	0.7
185.13254	0.8
186.14005	0.4
187.02361	1.0
187.14824	4.1
189.16388	26.6
191.10658	0.7
191.17958	46.7
192.18266	0.9
193.12263	0.5
193.19505	0.4
199.14792	1.1
201.16391	31.9
203.17970	32.7
205.03389	0.5
205.19519	28.0
207.13908	0.6
207.17426	1.2
212.15576	0.4
213.16348	2.6
215.17970	15.3
217.16176	0.6
217.19524	9.2
219.13829	0.4
219.17418	1.2
219.21019	1.0
221.15324	1.1
221.19017	0.7
223.17000	0.5
227.17896	1.2
229.19547	1.8
231.17566	0.7
231.21065	2.5
233.02968	1.3
233.15384	0.5
235.16936	5.4
241.19536	2.4
243.21062	5.1
245.22646	3.4
247.16949	21.6
249.18486	5.5
255.21103	2.7
257.22717	1.9
259.17014	0.9
261.18524	9.8
262.18994	0.5
269.22626	2.7
273.18362	0.3
275.19995	0.9
283.24252	1.1
287.19998	1.3
288.07504	0.4
289.21674	3.1
291.03381	0.5
297.25882	0.5
301.21582	1.2
303.23325	0.5
309.04507	4.2
315.23245	1.9
326.07169	0.6
329.24789	0.5
343.26260	0.7
355.26230	0.8
393.35162	13.6
411.36142	0.8
421.34528	1.1
439.35736	100.0
440.36194	1.8
540.57324	0.4
558.31042	0.4
813.77075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.5
67.05485	0.2
70.96828	0.2
71.23446	0.4
77.03913	0.6
79.05486	0.5
79.83139	0.2
80.38229	0.2
81.03411	0.4
91.05476	11.5
93.07040	13.0
94.04175	0.7
95.04959	3.9
103.05462	10.5
105.03400	0.5
105.04511	1.4
107.04948	1.2
118.06472	0.4
119.04926	1.6
120.05721	3.3
121.06500	73.3
122.03650	1.1
122.06850	0.4
123.04397	0.3
125.06039	0.3
133.02856	6.0
133.06483	0.2
134.03665	0.3
135.04401	1.6
136.07587	4.8
137.05977	12.1
138.09200	0.3
145.02856	0.4
146.05994	0.7
147.04352	0.6
149.02298	0.2
149.05957	2.3
150.03117	0.7
150.06769	1.3
151.03949	1.7
163.03886	0.6
164.04840	1.3
164.07069	4.9
165.05493	1.2
168.04153	0.5
173.05998	0.4
175.03966	0.9
177.05444	0.5
177.06935	0.3
179.08633	0.5
185.05951	1.7
185.08385	0.5
189.07004	1.0
190.07767	0.3
191.07080	0.3
191.08606	0.8
198.06905	0.4
201.05330	3.9
202.07860	0.3
203.08629	0.4
205.06555	0.9
206.07268	0.5
207.08080	2.3
217.07272	0.8
218.07297	0.9
219.08110	1.8
220.05200	2.3
221.06111	0.3
221.09691	0.4
222.06789	0.5
223.07625	0.3
224.08247	0.5
225.05476	1.0
231.08095	0.4
232.05208	0.2
233.05969	1.0
233.09630	1.0
234.06760	0.9
235.07541	13.0
236.08124	0.3
237.05479	0.3
237.09198	0.6
245.05951	0.4
246.06775	0.7
247.07591	2.1
248.04741	0.7
248.08339	1.0
249.05621	0.6
249.09201	1.1
250.06267	0.6
251.07146	0.7
252.07928	0.5
253.08553	0.3
258.06839	0.3
261.05524	1.5
261.09119	3.1
262.06348	0.4
263.07037	18.1
264.07773	0.8
265.05032	0.9
265.08640	1.0
266.09277	0.3
267.10245	0.9
272.12927	0.4
273.05392	0.3
274.06137	0.3
275.07028	1.5
276.07831	1.5
277.05002	0.3
277.08649	1.0
278.05786	1.4
278.08612	0.3
279.06628	0.5
279.10187	0.7
280.07349	3.0
280.10928	1.2
282.08850	0.6
287.07071	0.7
289.04980	0.8
289.08621	1.4
290.05597	0.3
290.08954	0.5
291.06586	2.9
291.10214	1.0
292.07346	0.6
293.04773	0.5
293.08139	2.1
293.11377	0.4
295.09689	0.6
296.10349	0.3
296.13046	0.4
297.08221	0.3
297.11295	0.7
301.04956	0.3
303.06509	0.5
304.07187	0.9
305.07977	0.8
306.08762	1.9
307.09402	2.4
308.06686	2.4
310.04581	0.5
311.10513	0.4
315.06412	1.2
316.07034	0.3
317.04568	0.5
319.09619	1.0
320.09222	0.6
320.12878	2.0
321.07684	1.3
321.11288	4.1
322.10712	0.4
323.09042	8.0
324.09885	0.4
325.08850	0.8
332.06790	1.7
333.07715	0.6
335.10678	0.4
336.06552	0.4
337.08588	0.7
338.09012	0.4
339.10797	2.4
340.11218	0.5
347.09152	5.8
348.12503	0.3
349.06848	0.3
349.10751	4.7
350.09821	0.4
351.10074	1.0
352.07211	0.5
352.11215	0.5
353.08145	0.7
353.11832	0.5
355.09570	0.5
357.11047	0.4
360.05826	0.3
364.06842	0.5
364.11057	0.5
365.08075	0.4
366.08893	0.8
367.09671	1.4
367.13608	0.3
368.10712	0.7
369.11288	0.8
370.08542	0.5
374.10205	0.4
375.08591	12.8
376.08109	0.3
377.07922	0.3
378.08792	0.6
379.09100	0.8
380.10593	0.5
381.07446	0.8
381.11426	0.8
383.08841	0.7
383.12952	1.2
384.09772	0.4
385.10815	2.3
388.11893	0.8
392.11285	0.5
393.07144	0.4
394.08377	0.7
395.09192	0.9
395.13458	0.4
396.09695	1.2
397.10757	0.5
397.82620	0.3
398.11795	0.5
403.06848	0.3
407.09698	0.4
408.10126	0.3
409.10626	1.2
410.11279	0.6
411.08499	0.8
411.12558	0.9
412.09009	0.5
413.10083	3.7
414.10925	0.3
415.15396	0.7
415.44696	0.3
418.09164	2.1
422.07376	0.4
423.08682	0.5
424.09491	0.8
425.10349	0.5
427.11810	0.7
428.12625	4.7
436.09738	0.4
437.10214	1.9
438.11084	1.3
439.07629	1.3
439.12000	2.1
440.08850	0.5
441.09058	1.4
442.16467	4.1
445.11932	0.3
446.13748	0.6
453.13318	0.7
454.10510	1.6
455.11212	1.9
456.12054	5.3
459.10690	0.3
465.09671	4.5
466.10635	0.3
467.07147	0.7
467.11786	1.0
469.12936	3.2
471.14346	31.6
472.14789	0.4
482.09827	5.0
483.10852	0.5
484.11490	0.3
484.17700	1.0
486.15692	1.1
487.14771	0.3
495.13318	0.9
497.12314	10.5
498.12320	0.4
499.13046	1.2
501.17099	0.6
512.17041	6.5
514.14868	0.9
538.14954	10.8
591.18799	0.3
608.22876	3.9
634.20703	22.1
635.21204	0.7
636.22369	1.6
651.23724	0.3
652.21301	0.3
662.20135	3.0
675.23438	6.5
679.22650	0.5
771.29077	45.2
772.29272	1.9
799.28552	100.0
800.28766	3.4
936.37805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.8
70.06592	8.2
71.34067	1.2
77.03902	1.0
79.05488	1.8
84.08116	1.0
86.09188	0.8
86.09695	3.5
89.03944	1.0
91.05480	18.3
93.07042	10.4
95.04961	3.5
95.08574	0.9
103.05473	9.4
105.04492	1.4
105.07010	1.4
107.04945	3.2
107.80930	0.8
115.05433	1.3
117.03388	1.5
118.47141	0.8
119.04944	11.4
120.05725	4.3
120.08101	2.8
121.06509	62.3
122.03612	1.9
127.74950	0.8
131.04939	2.0
133.02859	1.7
133.06528	1.8
135.04439	3.3
136.07584	14.3
137.05977	26.8
138.09160	3.5
145.02850	5.1
145.06468	2.6
146.06030	1.3
147.04404	5.6
149.06013	3.3
151.03902	5.6
151.05052	1.4
151.07506	1.1
157.04021	1.1
158.03510	0.9
161.06024	8.3
163.03957	3.2
164.07057	7.4
165.07028	2.1
169.09886	1.0
173.02422	1.2
173.05983	3.2
174.06769	3.5
175.03935	7.2
175.07516	1.2
176.07048	1.6
177.05478	8.5
177.06915	1.7
179.08556	1.9
181.04962	3.1
181.06429	1.3
186.03168	0.8
187.03876	4.9
189.05460	2.0
193.04918	1.5
193.06517	1.5
194.07289	1.1
195.08060	3.9
201.05453	8.9
203.03406	1.4
204.06032	0.8
205.04868	1.2
205.06544	6.8
207.08034	1.6
209.06012	0.9
209.09668	1.6
210.06728	1.4
211.07539	1.2
221.06105	6.3
222.06816	4.0
223.07561	6.1
225.09116	1.8
233.05994	8.9
234.06697	3.1
235.07608	4.9
236.04655	2.1
237.05534	1.3
237.09106	8.7
238.06314	1.7
239.07027	2.3
240.07777	2.8
243.57994	0.8
247.07504	2.1
248.04575	1.0
249.05504	4.5
249.09111	1.6
250.06160	5.7
251.07117	8.5
252.07721	1.7
253.05099	1.0
253.08603	7.3
254.09172	1.0
255.10068	2.7
261.05411	1.2
263.04272	1.1
263.06955	6.4
264.07813	2.4
265.08600	21.0
266.05750	1.7
266.09402	4.2
267.06592	3.1
267.10184	3.3
267.53860	1.0
268.07346	5.1
269.08035	4.0
269.11636	1.7
272.12805	1.5
277.08612	1.0
278.05728	1.4
279.06445	4.0
280.07227	1.7
281.04568	1.7
281.08057	4.4
282.08878	4.4
283.09787	5.8
284.10507	1.7
285.11221	3.3
288.07523	0.8
289.08447	1.3
291.06543	2.7
292.07318	5.7
293.04572	1.0
293.08130	3.3
295.09625	2.7
296.06808	7.2
296.10446	2.3
297.07751	1.3
297.11234	19.9
298.08557	1.9
298.11951	33.3
298.15067	1.8
299.12115	1.0
305.07886	1.0
306.05283	2.0
307.05969	2.4
307.09613	3.1
308.06805	3.9
309.07672	6.4
309.10931	1.5
311.09171	11.5
312.12457	1.1
317.08246	1.6
319.06036	1.4
323.05576	1.7
323.09082	9.5
324.06439	1.0
324.09857	15.0
330.74939	0.9
332.06790	2.7
334.04797	1.0
335.09195	1.6
339.08664	10.2
341.12274	1.2
347.09293	2.0
349.07056	3.1
349.10815	1.6
351.08713	1.6
375.08624	4.6
381.07629	1.0
439.08051	2.9
454.10291	2.1
456.11990	10.8
460.17953	4.5
461.18036	2.3
466.10727	1.8
467.07053	1.3
469.12582	1.9
471.14029	1.5
472.17764	4.5
473.15952	6.2
481.13214	4.9
482.09967	22.0
486.15286	3.1
497.12204	1.5
499.13852	23.0
512.17169	2.3
525.11743	9.2
604.20056	1.0
610.24335	13.5
636.22290	100.0
637.22809	2.4
662.09375	1.6
662.20233	32.5
664.21356	1.2
773.30695	63.2
774.31384	1.4
799.28613	25.4
936.36182	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.1
67.41937	0.1
68.99770	0.3
69.03423	1.2
69.91102	0.1
70.31549	0.1
71.01353	0.1
71.04993	5.3
73.02917	0.5
75.04462	0.4
81.03415	0.6
83.04982	0.5
85.02903	11.8
87.04469	0.2
91.03951	0.8
93.03399	0.2
95.04984	0.1
97.02890	2.2
99.04453	0.3
101.02410	0.1
103.03933	0.1
109.02873	0.8
111.00798	0.7
111.04436	0.4
115.03902	0.1
121.02861	0.7
123.04401	0.2
127.03917	2.3
129.05487	2.1
133.02882	0.1
135.04428	0.2
137.02338	3.4
139.03893	0.1
145.02856	0.2
145.04959	2.5
147.04486	0.1
147.06516	0.9
149.02344	0.4
151.03967	0.1
153.01823	2.3
159.04376	0.1
161.06018	0.2
163.03931	1.1
163.06000	1.0
165.01833	1.5
166.02638	0.2
173.05994	0.2
177.01889	0.1
177.05521	0.2
182.75766	0.1
183.02893	0.5
183.04402	0.1
187.03920	0.2
191.03387	0.1
191.06973	0.1
193.01436	0.1
195.02936	0.2
201.05458	0.9
205.04933	0.2
207.02898	0.1
213.05504	0.1
215.03339	0.1
219.03000	0.1
219.06561	0.2
228.04266	0.1
229.04962	3.1
239.03424	0.1
247.06030	0.6
255.08708	0.1
257.04422	2.1
257.07104	0.1
261.04028	0.1
273.09720	0.1
274.04694	0.7
275.05396	0.3
279.05057	0.1
285.03955	1.0
287.05630	0.1
302.04330	0.1
303.04977	100.0
304.05289	0.9
309.11945	0.1
315.04965	0.6
316.05627	0.1
325.09167	0.1
327.04855	0.3
339.04990	0.1
341.06750	0.1
345.06036	1.5
356.71881	0.1
369.06100	0.6
381.05585	0.1
395.07678	0.1
399.07217	0.1
411.07291	0.1
413.08670	0.2
429.08136	0.2
431.09814	0.2
447.09027	0.5
449.10645	0.8
462.32355	0.1
465.10291	13.1
466.10574	0.1
611.15546	0.1
627.15558	1.4
690.53088	0.1
966.38953	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	935.267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.1
68.99821	0.2
69.03430	1.0
69.60437	0.2
69.60851	0.2
70.06557	0.1
71.01330	0.1
71.04993	8.1
73.02916	0.9
75.04473	0.6
81.03419	0.5
83.04979	1.6
85.02904	14.0
87.04468	0.3
88.92485	0.1
91.03949	1.1
93.03413	0.2
95.04974	0.1
97.02896	1.7
98.21532	0.1
98.89732	0.1
99.04419	0.4
103.03906	0.1
107.04918	0.1
109.02853	0.5
111.00802	0.6
111.04440	0.9
115.03947	0.1
121.02862	0.6
123.04441	0.2
127.03923	1.5
129.05481	4.1
135.04382	0.2
137.00758	0.1
137.02339	2.0
137.05933	0.1
145.02858	0.1
145.04953	1.1
147.04639	0.1
147.06522	1.8
149.02357	0.3
150.32385	0.1
151.03886	0.1
153.01817	2.2
159.04439	0.1
161.05989	0.2
163.03926	0.9
163.06023	0.7
165.01843	1.6
165.07599	0.1
166.02641	0.2
173.05998	0.1
175.03850	0.1
177.05515	0.2
183.02934	0.6
183.04366	0.1
187.03947	0.1
191.03384	0.1
195.02913	0.2
201.05466	0.8
205.04987	0.1
210.21642	0.1
213.05487	0.1
215.03351	0.1
217.04999	0.1
219.02975	0.1
219.06563	0.3
229.04961	2.8
233.88795	0.1
237.07504	0.1
239.03470	0.1
247.06065	0.7
255.08586	0.4
257.01764	0.1
257.04449	2.5
273.09589	0.1
274.04776	0.6
275.05515	0.2
285.03952	1.1
287.05536	0.2
303.04977	100.0
304.05276	0.9
309.11792	0.2
315.04913	0.3
327.04852	0.1
345.06006	0.5
369.06107	0.3
411.07205	0.1
413.07907	0.1
429.08127	0.1
431.09702	0.1
447.09055	0.3
449.10535	0.4
465.10291	26.6
466.10522	0.4
611.16205	0.3
627.15692	0.6
808.73969	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	935.2455
Annotation	Quercetin 3-(6''''-p-coumarylsophorotrioside)
Peak:m/z	Relative Intensity
68.99812	0.1
69.03429	6.7
70.06587	0.3
71.01344	0.2
71.04995	4.8
72.08155	0.2
73.02892	0.4
75.04456	0.2
77.03921	0.1
79.05493	0.4
81.03417	0.2
83.04980	0.4
85.02905	6.5
89.03912	2.9
91.03939	0.1
91.05473	0.1
91.40600	0.1
93.03413	0.1
95.04943	0.2
97.02892	0.9
99.04475	0.3
101.34311	0.1
107.04977	0.9
109.02886	0.7
110.07102	0.1
111.00830	0.3
111.04459	0.3
117.03385	5.0
121.02889	0.4
123.04417	0.2
127.03920	3.4
129.05486	2.2
135.04414	10.6
137.02354	1.4
137.03334	0.2
145.02847	11.9
147.04439	0.2
147.06502	0.8
149.02281	0.2
149.06000	0.5
153.01833	1.5
163.03903	100.0
164.04231	0.7
165.01840	0.8
173.05998	0.3
177.05475	7.3
178.05864	0.2
181.04964	1.3
183.02957	0.2
186.05484	0.2
191.03346	0.1
195.02899	0.1
195.06572	0.2
201.05487	0.8
205.04887	0.2
217.05069	0.1
219.06500	0.3
229.04980	1.9
231.06628	0.1
247.06123	0.6
257.04504	1.1
274.04755	0.3
285.04019	0.7
303.04993	45.5
304.05334	0.4
307.08127	6.2
309.09839	0.3
315.05042	0.4
317.06613	0.3
321.09717	0.4
325.09180	20.6
326.09756	0.2
338.30942	0.1
339.10764	1.8
345.05997	0.3
369.05978	0.2
373.12680	0.1
435.08752	0.2
449.10712	0.3
465.10480	1.0
471.14969	1.0
855.47198	0.1
911.43414	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	928.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05035	0.9
69.07074	3.4
69.43911	2.3
70.06595	20.3
72.08157	22.4
74.02474	0.4
74.06084	19.5
77.03952	0.4
82.06589	1.5
83.04980	0.4
83.06111	0.4
84.04503	7.5
84.08163	1.8
85.04037	1.0
86.06070	0.5
86.09708	38.9
91.05450	1.7
93.07059	1.3
95.04993	0.5
96.04484	0.6
96.08138	1.0
98.06078	0.5
99.09209	2.1
100.07610	0.5
101.07127	1.2
103.05477	5.0
110.06069	0.9
110.09684	0.6
111.05572	1.6
112.11291	1.5
113.07137	1.2
114.05550	1.2
115.05457	1.4
117.05772	0.9
117.06958	0.4
118.06554	7.8
120.08109	73.6
123.54707	0.4
124.11242	0.8
125.07124	0.9
125.10753	0.4
126.09183	0.4
127.08688	5.2
128.10744	0.6
130.06525	5.0
132.08092	8.1
137.10728	0.6
138.09171	1.6
139.05035	1.1
139.08673	6.3
139.12314	4.6
140.14345	0.6
141.06619	0.9
141.10214	1.0
141.13890	1.4
142.06517	2.4
142.12276	1.6
143.07301	1.3
143.11780	0.5
144.04446	0.5
144.08084	9.9
145.02838	0.3
145.07603	1.0
146.06013	41.8
153.10178	1.6
154.06512	2.2
155.08195	0.5
155.11795	3.6
156.08089	1.1
157.07649	0.5
158.06026	0.4
158.08386	1.0
159.09181	24.5
160.07578	1.1
165.08977	0.6
165.10248	6.8
166.08661	1.8
167.08185	1.3
167.11812	9.7
169.07614	17.0
169.13359	1.1
170.06013	21.2
171.09196	8.1
173.10814	0.3
175.08690	1.0
177.05530	0.3
177.10286	0.4
179.11836	0.7
181.07964	0.5
181.09731	8.8
181.13319	1.0
182.06012	2.6
182.12810	0.5
183.09158	0.5
183.09450	0.4
183.11298	11.0
187.08685	2.8
187.14410	3.9
188.07069	94.6
189.07393	0.7
193.09715	1.9
195.07686	3.8
195.11285	3.8
195.14909	1.8
196.10931	1.4
197.07126	2.5
197.11055	0.5
197.12816	2.1
198.05566	0.5
198.07686	0.4
199.08694	1.5
201.12346	0.9
205.09727	100.0
206.10114	0.9
209.09183	4.6
210.12363	8.2
211.08730	0.7
211.10777	3.5
212.10367	0.9
215.08163	15.5
215.13892	1.2
216.08600	0.5
217.09715	1.0
221.09212	13.6
222.12459	0.6
223.12335	0.3
224.10300	0.6
225.10182	0.7
225.13889	0.8
227.11641	0.5
228.13478	1.6
229.11639	0.4
232.10805	4.2
236.10306	0.5
238.09462	0.7
238.11880	12.5
239.10228	10.5
239.15404	0.9
240.13342	0.8
241.13336	1.2
243.07692	0.7
246.52219	0.3
250.11887	3.7
251.11754	1.0
252.17108	0.5
253.13480	1.5
255.15227	0.3
256.12939	10.9
260.10376	0.4
267.14905	0.4
268.12631	3.2
269.12784	1.0
270.16049	1.1
273.15903	1.1
274.15497	0.9
278.18585	0.9
280.11420	0.4
280.14404	1.0
281.12845	3.5
283.14368	0.4
286.15359	1.0
294.16010	0.3
296.13971	0.5
296.19604	1.1
297.12457	0.6
298.15408	0.8
306.18176	5.0
308.13995	0.8
310.11359	0.3
310.15457	0.6
314.11536	0.6
314.14972	8.2
314.20605	0.5
316.16397	0.4
318.18152	4.6
323.20813	1.6
324.13242	0.8
324.19214	13.7
328.16455	1.3
336.13361	0.4
338.14932	0.4
341.21777	2.5
342.14413	1.6
345.19144	0.4
351.20270	12.4
352.18927	4.0
353.15863	0.6
355.17950	0.5
356.16211	1.4
362.14975	0.7
364.16342	0.7
369.21365	11.8
373.18613	2.9
379.17587	2.1
381.19055	0.8
382.13495	0.5
382.17914	0.4
383.17105	0.9
385.18674	0.8
397.18399	0.6
399.16553	1.1
403.19427	0.7
407.17203	0.5
408.15469	1.2
411.20395	0.4
419.22705	0.7
425.18192	7.0
428.22769	0.5
443.19382	3.7
465.25137	0.5
482.23569	0.7
484.28891	1.0
492.25986	1.9
494.27713	4.1
495.25986	0.4
510.27573	3.3
512.29358	3.3
520.25421	1.0
528.27997	1.3
538.26587	13.9
539.26300	0.4
555.28955	1.1
556.27686	17.4
573.29810	1.3
587.26013	0.4
593.27045	4.0
611.28186	1.7
615.24786	0.5
668.08521	0.4
678.36316	0.4
686.32379	0.9
706.35449	1.7
714.32568	1.9
720.37140	0.6
724.36401	0.4
797.35278	1.3
815.36383	1.1
864.44385	0.5
882.43726	0.9
884.44330	0.4
900.45941	1.5
910.44788	3.9
928.45532	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99486	0.1
68.99812	0.2
69.03426	0.7
70.06575	0.1
71.01348	0.2
71.04993	7.6
71.52148	0.1
73.02923	0.7
75.04476	0.6
81.03421	0.4
83.04982	1.2
84.04471	0.1
85.02905	12.8
87.04508	0.2
91.03950	1.0
95.04998	0.1
97.02888	1.5
98.20970	0.1
99.04466	0.3
101.27463	0.1
103.03947	0.1
105.03406	0.1
107.04976	0.1
109.02890	0.4
111.00797	0.3
111.04449	0.8
115.03929	0.1
117.05486	0.1
121.02863	1.4
123.04332	0.1
127.03922	1.3
127.04843	0.1
129.05481	3.6
133.02837	0.4
135.04445	0.1
136.07578	0.1
137.02377	0.4
139.03882	0.1
145.02797	0.1
145.04964	0.8
145.06589	0.1
147.04443	0.3
147.06519	1.9
151.03952	0.1
153.01819	1.9
157.06430	0.2
161.05867	0.1
163.03902	0.2
163.06036	0.7
165.01825	1.0
165.32698	0.1
171.04469	0.1
177.05453	0.2
182.89803	0.1
183.02866	0.5
185.06007	0.3
203.03584	0.1
213.05437	0.7
231.06480	0.5
241.04974	0.6
255.08682	0.4
258.05295	0.7
259.06021	0.4
269.04492	0.1
273.09711	0.1
287.05490	100.0
288.05817	1.1
299.05566	0.3
303.05133	0.2
309.11646	0.2
311.05634	0.1
329.06482	0.8
353.06509	0.3
367.16199	0.1
397.09045	0.1
431.09586	0.2
433.11432	0.2
449.10803	25.3
450.11276	0.4
611.16174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05037	1.4
69.07069	2.8
70.06596	22.2
72.07761	1.5
72.08160	26.0
74.06084	12.6
79.05502	0.9
82.06578	1.8
84.04496	7.6
84.08138	2.8
85.04068	1.1
86.06075	1.7
86.09708	26.3
89.03875	0.8
91.05483	2.6
93.07048	2.0
95.04950	0.9
98.09699	1.1
98.20730	2.0
99.09220	2.0
101.07196	0.8
103.05484	3.7
109.12823	0.8
110.09646	0.8
111.05570	2.1
112.11230	2.1
113.07096	1.1
114.05534	1.7
115.05481	2.5
117.07051	0.8
118.06541	11.1
120.08111	66.7
124.11224	1.1
127.08681	3.1
130.06517	5.5
132.08102	9.7
133.10132	1.0
138.09151	1.8
139.08698	6.1
139.12305	4.3
140.14398	0.9
141.13898	1.8
142.06496	2.0
142.12259	2.2
144.04399	1.2
144.08078	11.9
145.07655	1.0
146.06012	45.9
153.10150	1.2
154.06485	2.4
155.06088	1.0
155.11852	5.1
156.08162	1.6
159.09192	28.8
160.07631	1.1
165.10246	6.4
166.08609	1.1
167.08235	1.6
167.11815	13.4
169.07625	19.0
170.06018	21.8
171.09184	7.7
175.08716	1.3
177.05420	1.0
181.05182	1.0
181.09744	6.5
182.05981	2.0
183.11292	11.4
187.08688	1.6
187.14432	3.3
188.07076	99.0
193.09744	2.2
195.07674	4.0
195.11313	4.5
195.14963	2.7
196.10895	1.6
197.07162	2.6
197.12949	1.5
199.08635	1.2
205.09735	100.0
209.07327	1.2
209.09239	3.2
210.12302	6.1
211.08977	1.0
211.10677	4.0
215.08160	17.2
215.10069	1.4
215.13809	1.0
221.09210	14.1
222.12477	1.0
225.13846	0.9
228.13425	1.0
229.51469	1.3
232.10832	4.1
238.11873	10.4
239.10251	10.7
239.15434	1.0
241.13387	0.9
250.11925	4.0
253.13448	2.0
256.12875	8.7
268.12909	3.1
269.12778	1.0
270.15909	1.1
273.15909	1.9
278.18872	1.0
280.14279	1.1
281.12848	2.4
296.19580	1.6
306.18179	6.6
308.13916	1.3
314.14966	8.6
318.18130	3.7
324.19214	17.3
328.16544	2.4
341.21918	1.9
342.14612	1.4
351.20346	7.9
352.18677	3.4
356.16257	1.7
369.21359	6.8
373.18594	2.4
379.17606	2.9
387.20621	1.1
407.17160	1.4
408.15314	2.0
425.18170	9.4
437.34061	0.9
443.19379	3.7
492.26044	3.2
494.27444	4.5
510.27628	5.8
512.24579	0.9
512.28937	1.5
520.25439	0.9
528.28229	1.5
538.26587	18.1
556.27667	14.4
593.27283	1.1
611.27881	1.1
714.31580	1.3
797.35480	1.4
882.43787	1.5
892.43280	0.9
900.45502	2.2
910.45258	6.0
928.45166	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	918.578
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03952	2.4
67.05468	0.8
69.07071	3.4
71.08619	0.8
78.70368	0.4
79.05461	1.2
81.03391	0.8
81.07027	1.5
81.89146	0.3
83.04987	38.9
83.08634	2.2
85.74482	0.3
86.06011	0.5
91.05492	6.4
93.07001	1.2
95.04977	0.4
95.08575	1.3
97.06481	0.6
97.10170	2.5
98.98477	3.0
100.07574	1.2
104.06271	0.4
105.07040	3.3
107.08558	1.4
109.10127	1.0
111.08034	0.7
114.09137	0.8
115.05475	1.8
117.06980	1.1
119.08564	2.1
121.10115	0.9
125.09635	0.8
128.06276	0.7
129.06966	1.6
131.08578	1.0
132.09375	1.8
133.10118	1.9
135.11641	0.7
141.06027	0.5
141.07001	7.0
147.08018	1.1
147.11700	24.3
149.13179	0.5
151.01564	5.0
153.12828	0.5
159.08075	2.8
159.11691	0.5
161.13191	1.5
163.01534	3.4
168.42812	0.3
169.07648	4.0
175.01573	6.2
181.02585	1.2
187.01534	1.3
189.16389	0.7
211.05260	0.6
221.03639	0.7
227.04691	4.9
239.04715	8.5
247.24222	1.6
254.98151	0.8
257.05710	0.5
259.54288	0.4
260.99326	1.2
265.25342	1.5
282.27957	9.3
282.31046	0.7
283.10907	0.9
295.10956	1.4
303.78998	0.4
337.02377	50.3
338.02789	0.5
378.04831	1.3
393.08640	20.3
413.05453	3.0
434.11063	0.7
469.11798	11.9
521.97900	0.4
525.18048	23.5
559.39496	0.4
581.24316	56.0
582.24493	0.5
637.30579	100.0
638.30951	1.6
678.32953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	0.1
67.01864	0.1
67.05537	0.1
68.99790	0.3
69.03082	0.1
69.03428	1.2
69.35719	0.3
69.36128	0.1
70.06570	0.1
71.01360	0.1
71.04993	4.6
72.08157	0.1
73.02921	0.4
73.04656	0.0
74.63708	0.0
75.04487	0.2
80.68752	0.1
81.03419	0.5
82.11887	0.0
83.04976	0.4
85.02903	11.1
86.09711	0.1
87.04463	0.2
89.03925	0.0
91.03951	0.7
93.29225	0.0
95.04987	0.1
97.02888	2.0
99.04449	0.2
103.03967	0.1
105.03389	0.2
107.04954	0.2
109.02872	0.6
111.00779	0.5
111.04462	0.4
115.03960	0.1
117.03403	0.1
121.02860	2.4
121.06472	0.1
125.02313	0.1
127.03913	1.9
129.05482	1.9
133.02832	0.4
135.04434	0.1
137.02335	0.5
141.07014	0.1
145.02806	0.1
145.04958	2.4
145.06396	0.1
147.04405	0.3
147.06508	0.6
153.01823	2.1
157.06485	0.2
161.02423	0.1
161.05933	0.1
163.03958	0.2
163.06012	0.8
165.01833	1.2
165.07726	0.1
171.04362	0.1
173.05928	0.1
177.05463	0.2
183.02888	0.6
185.05992	0.2
189.05525	0.1
197.06042	0.1
201.05557	0.1
203.03185	0.1
203.07024	0.1
213.05453	0.8
217.04944	0.1
219.06526	0.1
229.05023	0.1
231.06506	0.5
241.04933	0.8
241.07181	0.1
243.06396	0.1
245.04451	0.1
255.08693	0.2
258.05240	0.7
259.06015	0.4
263.05591	0.1
269.04413	0.2
273.09680	0.1
283.05981	0.1
286.04803	0.1
287.05487	100.0
288.05789	1.1
299.05524	0.5
300.06360	0.1
303.05081	0.1
309.11826	0.1
311.05554	0.2
325.06900	0.1
329.06509	1.1
353.06421	0.4
374.44260	0.1
383.07568	0.1
395.07690	0.1
397.09229	0.2
413.08487	0.2
415.10400	0.2
431.09747	0.5
433.11212	0.4
449.10797	11.6
450.11148	0.1
611.16101	1.6
631.46869	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.0
67.05512	0.3
69.03430	0.1
69.07079	0.2
69.38932	0.4
70.06593	0.1
73.02921	0.2
77.03899	0.3
79.05494	3.4
80.05000	0.1
81.03418	0.6
81.07053	0.6
81.71051	0.0
83.08621	0.1
84.44118	0.1
85.02893	0.1
86.09700	0.1
89.03934	0.2
91.05489	0.2
92.82158	0.0
93.07034	0.4
95.01359	0.0
95.04972	0.6
95.08608	1.1
96.04498	0.1
97.02885	0.2
97.10209	0.1
98.20684	0.1
105.04504	0.3
105.07050	0.3
106.06561	5.3
107.04957	28.2
107.08591	0.7
108.05284	0.1
109.02885	2.2
109.10155	0.7
111.11705	0.1
115.03876	0.1
116.05012	0.1
117.03383	0.1
119.08604	0.6
121.10132	0.8
123.04403	0.4
123.11678	0.3
124.07571	0.1
125.05997	0.2
131.08548	0.1
133.10127	0.4
134.06024	6.1
135.04419	28.9
135.11661	0.5
136.04745	0.1
137.06009	0.2
137.13263	0.2
141.01849	0.1
145.10097	0.3
147.11653	0.4
148.07527	0.1
149.05864	0.1
149.13284	0.5
152.07066	100.0
153.05533	0.1
153.07390	0.5
154.08652	0.1
159.11674	0.2
161.13280	0.3
163.14780	0.3
164.07062	0.1
170.08145	0.1
173.13246	0.1
175.14885	0.3
177.16368	0.2
187.14743	0.3
189.16373	0.7
191.17970	1.0
199.14740	0.1
201.16388	0.8
203.17967	0.9
205.19524	0.5
213.16469	0.0
215.17972	0.4
217.19484	0.2
229.19490	0.1
231.20993	0.1
235.16750	0.1
241.19469	0.1
243.21022	0.1
247.16966	0.3
249.18423	0.1
255.21208	0.1
261.18533	0.2
266.10025	0.1
269.22308	0.1
284.11240	0.5
343.26413	0.1
393.35175	0.6
411.35864	0.1
437.33841	0.1
439.29837	0.1
439.35684	1.2
441.80402	0.0
460.14365	0.2
590.41406	0.1
719.43066	0.2
916.50677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.1
69.07068	0.1
69.97447	0.4
70.06583	0.3
73.02927	0.2
77.03940	0.3
78.14486	0.1
79.05492	3.1
81.03426	0.6
81.07050	0.4
84.08147	0.1
85.02892	0.2
86.09707	0.2
89.03917	0.1
91.05488	0.2
93.07048	0.4
95.04968	0.6
95.08611	0.9
97.02882	0.2
97.10162	0.1
105.04502	0.4
105.07033	0.2
106.06557	5.1
107.04958	27.1
107.08596	0.6
108.36052	0.1
109.02888	1.9
109.10136	0.5
115.03899	0.1
117.03325	0.1
117.07058	0.1
119.08582	0.4
120.65103	0.1
121.06528	0.1
121.10135	0.5
123.04406	0.4
123.11697	0.3
125.05976	0.3
126.45739	0.1
131.08585	0.2
133.10103	0.4
134.06024	6.3
135.04417	28.9
135.11693	0.3
137.06042	0.2
137.13264	0.1
141.01802	0.2
145.02812	0.1
145.03961	0.1
145.10088	0.2
145.93582	0.1
146.19226	0.1
147.11674	0.3
149.13248	0.3
152.07068	100.0
153.07442	0.5
159.11691	0.2
161.13277	0.2
162.05656	0.1
163.14890	0.2
167.07042	0.1
173.13245	0.2
173.76706	0.1
175.14867	0.2
177.05437	0.2
177.16312	0.2
185.13205	0.1
187.14780	0.2
189.16370	0.6
191.17967	0.8
196.10757	0.1
201.16382	0.7
203.17970	0.7
205.19501	0.3
215.17921	0.3
217.19498	0.2
241.19574	0.1
247.16887	0.3
261.18552	0.2
266.10190	0.1
284.11243	0.4
393.35034	0.2
437.34164	0.3
439.35724	1.5
460.14389	0.2
756.36060	0.1
916.49213	0.3
938.99628	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	892.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04240	0.5
67.05502	2.5
69.07070	2.8
70.06586	0.3
70.27979	0.6
70.28378	0.6
70.99561	0.3
71.01356	2.1
71.99077	0.4
73.02917	2.2
74.00665	0.7
76.02216	1.0
79.05488	1.1
80.04998	0.4
81.07054	6.9
83.08621	1.5
84.04485	1.3
85.02898	0.4
86.00659	2.8
86.09692	0.3
86.99059	4.3
88.02215	0.6
88.03961	0.5
91.05446	1.5
93.07037	4.4
94.02931	5.4
95.01332	1.7
95.08608	10.0
96.04491	1.2
97.10145	0.7
98.00627	0.9
100.02203	7.5
105.00084	3.4
105.07027	4.2
107.08598	5.7
108.23277	0.3
109.10162	6.6
111.11733	0.4
112.02219	0.6
112.03966	5.5
114.00117	0.9
114.03757	3.2
116.01665	1.0
119.08597	2.9
121.10146	5.7
123.11713	3.8
124.02181	7.0
126.00088	4.2
126.03760	0.6
126.98502	0.4
128.01654	1.3
129.00076	0.4
129.07047	0.7
130.92378	0.3
131.08582	2.9
132.01147	1.7
133.10135	3.5
135.11707	4.0
136.03943	0.5
137.05986	0.4
137.13260	2.7
140.01675	1.9
141.01842	0.3
142.03235	4.0
142.07732	0.3
143.08591	2.2
144.01151	11.2
145.10138	2.1
146.02702	3.0
147.11708	4.0
149.13264	4.2
152.01656	21.2
153.02435	0.5
155.08588	0.4
157.10139	3.5
158.02692	0.3
158.10855	0.3
159.11687	3.3
160.04245	0.7
161.13257	3.0
163.07567	0.7
163.14813	1.2
169.10124	0.9
170.02710	18.5
171.11707	2.3
172.00645	2.4
173.13272	10.1
174.02194	4.3
175.14896	1.3
177.05493	0.3
177.16362	1.2
183.11678	0.9
185.11624	0.5
185.13266	11.6
186.02219	11.4
187.14807	6.4
188.03769	21.4
189.16382	1.2
190.01685	1.1
191.16225	0.4
191.17957	7.9
197.13231	1.2
198.02205	63.7
199.02490	0.3
199.14836	3.9
201.12746	0.5
201.16396	1.0
203.17950	5.3
205.19543	5.2
207.13751	0.7
211.14799	1.0
213.16280	1.3
216.03262	100.0
217.19507	1.3
219.13803	0.9
221.15390	0.8
225.16388	1.0
226.17168	0.3
227.17897	1.9
231.13867	0.9
231.21156	0.5
233.15387	3.6
234.04239	0.4
239.17883	0.8
241.19475	0.4
243.20938	0.4
245.15378	5.0
247.16965	2.8
253.19438	0.7
255.21051	0.3
257.15375	0.6
259.17020	2.5
259.19540	0.4
269.22604	1.0
273.18420	0.5
285.18375	0.5
287.20035	1.0
291.15842	1.2
299.19989	0.7
301.21533	0.6
305.17416	0.8
313.21609	0.7
335.27560	0.4
377.32037	4.9
392.06451	4.8
410.07532	2.2
423.32471	0.9
437.34180	10.3
465.33508	0.7
483.27924	0.6
483.34668	9.0
517.82001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.394
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21447	0.3
69.67059	1.0
69.67492	1.2
70.06596	24.2
72.04518	0.6
72.08160	10.4
73.02937	0.4
77.73368	0.3
78.87347	0.3
82.06584	0.7
84.04512	12.2
84.08158	1.9
85.02906	0.6
85.70313	0.3
86.09726	0.5
91.05510	1.8
93.07047	2.1
95.04984	0.6
95.08609	0.4
98.06062	0.4
99.05579	1.2
100.03954	0.3
100.07652	0.3
101.07180	0.9
103.05469	6.7
105.04486	0.4
105.07042	0.7
110.06066	0.5
111.05572	0.6
112.03983	1.9
113.22673	0.3
115.05488	0.3
117.05817	0.5
117.07081	0.4
118.06548	4.2
119.08588	0.8
120.08112	100.0
121.08488	0.5
121.10173	0.4
124.07540	0.6
126.05552	0.4
126.09163	1.4
127.05041	2.6
127.08675	1.3
128.08221	0.5
129.06647	0.4
130.06534	3.9
132.08086	5.5
139.05042	0.4
139.08636	1.7
141.10252	0.6
142.05006	1.5
142.06555	1.1
142.08681	0.5
143.07292	0.7
144.08083	5.7
145.02928	0.5
145.08533	0.5
146.06018	19.5
151.08690	0.4
152.07074	0.4
153.10246	1.1
155.08180	1.3
155.11728	0.5
156.08119	0.5
157.07622	0.4
158.08401	1.8
158.09618	0.8
159.09190	17.4
160.07515	0.6
164.07011	0.4
165.10222	2.4
167.08205	1.2
168.08160	0.6
169.07628	3.8
169.09737	12.0
170.06004	2.8
170.08107	1.9
171.09235	0.7
173.13283	0.4
177.05551	0.6
180.07857	0.6
181.09731	19.1
183.09184	0.9
183.11374	0.7
184.07529	0.5
184.10883	1.1
185.09215	0.6
185.10748	0.6
186.09132	1.0
187.08739	0.6
188.07079	39.5
189.07507	0.5
191.18025	0.5
194.87897	0.4
195.09279	1.2
195.11296	8.7
197.07420	0.6
197.09248	3.8
197.10774	0.7
199.08704	0.4
205.09737	23.8
207.11331	0.6
208.10811	0.5
209.09229	33.0
210.12381	3.3
211.08707	5.0
212.07008	0.6
213.10271	0.7
214.08730	0.3
215.08197	3.1
217.09801	1.0
223.08685	0.9
223.10863	1.2
224.07149	0.4
226.11871	1.3
231.11377	0.8
236.10358	0.6
237.08688	2.1
237.13559	0.5
239.08214	1.2
241.09734	1.0
252.13431	4.8
254.11362	17.3
256.12952	0.7
257.09207	0.8
258.12439	0.4
274.11990	0.4
276.13452	8.4
279.14471	2.5
280.12909	9.2
283.14432	0.4
285.08792	1.1
297.15640	8.0
307.14041	2.7
308.13712	0.5
310.15515	1.2
316.16464	0.5
325.15079	44.5
326.15210	0.4
328.16544	3.2
333.15585	1.4
338.14868	0.8
340.16342	0.5
344.16486	0.4
353.15561	0.3
356.16043	3.6
373.18710	3.2
395.17001	1.4
401.18262	1.4
424.20126	0.7
426.22302	0.4
437.34329	0.4
441.17801	2.5
450.21289	1.6
466.20886	4.5
467.19730	0.5
468.22540	0.8
472.21854	0.5
483.23419	1.1
484.22153	1.6
494.20261	2.7
497.21588	0.5
511.23010	2.0
512.21429	20.6
529.24091	4.8
567.27539	0.5
581.27167	1.3
609.27045	1.7
676.30505	0.8
680.30328	1.6
781.73120	0.4
838.39514	2.2
856.39240	1.4
866.38062	0.5
884.39850	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
60.95840	0.6
60.96809	0.4
62.93152	0.4
67.05505	3.3
69.07072	2.7
70.02555	1.7
75.04491	0.5
79.05503	2.4
81.07063	9.2
82.07397	0.5
83.08633	1.0
91.05495	2.1
93.07053	4.3
95.08615	13.0
96.08984	0.9
97.10201	0.7
98.97609	1.7
99.00583	6.3
101.00873	0.7
102.96945	0.5
105.07036	4.9
106.07381	0.8
107.08596	6.1
109.10168	6.1
110.97631	0.7
116.98658	0.8
117.07063	0.6
119.01933	0.7
119.08596	3.5
120.08941	1.0
121.10149	5.8
123.11710	3.3
129.06987	0.5
131.08595	3.1
132.08893	0.7
132.98106	1.3
133.10172	3.3
134.10512	0.9
135.11703	5.1
137.13272	3.8
141.01884	0.6
143.01953	0.6
143.08542	2.2
145.10143	3.1
146.10460	0.5
147.11699	4.8
148.12038	1.1
149.13277	3.6
150.13620	0.8
150.99174	1.2
152.98630	0.6
157.10118	2.4
158.10895	0.7
159.11700	5.0
160.12083	1.3
161.13245	2.6
162.13620	0.7
163.07549	0.7
163.14832	0.9
170.99788	0.8
171.01411	0.6
171.11748	2.6
173.00653	0.5
173.03049	0.8
173.13272	11.7
173.23991	0.5
174.13644	2.1
174.99197	1.1
175.14882	3.3
176.15273	0.7
177.16357	0.5
183.11786	0.8
185.13297	9.0
186.13547	1.1
187.14868	6.3
188.15230	1.7
189.16461	1.3
191.17955	4.4
192.18355	1.5
197.13312	1.4
199.02246	0.8
199.14854	3.8
201.00040	7.0
201.16425	0.9
203.17943	2.4
204.18399	1.0
205.19635	1.1
206.20088	0.7
207.13910	1.1
211.14832	0.6
213.16357	1.0
215.18066	1.0
217.03474	0.6
217.19675	0.9
219.13849	2.4
225.16507	1.0
227.17952	1.2
231.13893	0.7
233.15474	1.8
235.16995	0.5
239.18124	0.9
241.19612	1.0
245.15393	3.2
246.15689	0.5
247.16920	3.3
248.17271	0.8
253.19499	0.9
257.02853	1.9
259.17108	1.7
269.02695	0.6
285.18527	0.5
287.19952	0.6
297.02087	0.7
313.01807	1.0
315.03351	2.8
315.22571	0.5
331.02737	3.0
359.02200	14.6
361.03754	0.6
377.03308	16.8
377.32141	1.8
378.32645	0.8
395.03143	1.9
411.00974	0.6
416.48730	0.5
437.34277	3.7
438.34482	2.1
439.35135	1.5
440.35034	0.5
447.78467	0.5
467.01163	0.6
483.34979	1.0
484.35297	1.1
485.35645	1.1
486.35779	1.1
505.32785	2.8
523.33710	2.4
605.35535	0.4
652.99506	0.6
739.36627	5.2
797.36926	1.6
813.36493	0.8
841.36499	0.8
859.37244	100.0
860.38062	2.9
861.37762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04535	0.6
65.03920	0.6
67.05182	0.6
67.05504	8.7
69.03413	1.2
69.07068	11.1
69.42573	0.5
70.06583	0.6
70.70213	0.8
70.70530	0.7
70.77872	0.4
71.01340	1.7
71.08603	1.0
73.02906	1.5
74.81696	0.4
77.02393	0.9
77.03923	0.5
77.63831	0.5
79.05495	7.1
81.03409	0.9
81.07056	28.7
83.08610	6.2
83.58411	0.4
85.02901	10.8
89.02377	0.5
91.05471	5.6
91.36452	0.5
93.07042	15.7
95.01334	4.5
95.08605	43.3
97.02885	2.5
97.10172	4.2
99.00803	0.9
101.02375	1.1
103.03930	0.8
104.03442	0.9
105.01847	1.0
105.06313	0.6
105.07030	16.6
107.08592	26.5
108.31448	0.5
109.02891	0.7
109.10156	28.7
111.11667	1.2
113.02364	5.2
117.07004	1.4
119.08582	15.9
121.10143	28.7
123.00773	0.6
123.11700	18.3
125.02328	1.0
127.03902	0.5
128.06291	0.5
129.06956	2.3
131.03400	2.0
131.04919	1.2
131.08565	13.5
133.09120	0.8
133.10127	16.8
135.11690	24.1
135.61008	0.5
137.13258	15.4
141.00746	1.0
141.01825	18.6
142.07780	0.7
143.08556	9.0
145.10127	11.3
147.11691	17.8
149.13252	21.7
150.13536	0.6
151.14830	2.0
155.08553	1.8
156.09283	1.6
157.10120	13.9
158.10863	1.5
159.02890	11.3
159.11694	14.9
160.12308	0.8
161.13254	17.4
163.07501	3.7
163.14830	5.9
169.10152	3.4
170.10826	0.8
171.02821	1.1
171.11688	12.1
173.13260	50.2
175.14816	8.0
177.03972	2.8
177.05319	0.7
177.09100	0.6
177.16368	5.6
179.17941	1.1
180.06068	0.5
181.03415	0.7
183.11699	3.6
184.12398	0.6
185.13251	51.7
186.13551	0.7
187.14816	39.4
188.15152	0.6
189.16399	5.0
191.17941	64.5
192.18221	0.9
193.12254	1.9
197.13280	5.6
199.11076	0.6
199.14804	19.1
201.12738	2.4
201.16402	6.7
203.17950	28.9
205.12238	0.8
205.19513	22.7
207.13815	4.4
207.21037	0.6
211.14796	3.5
213.12758	1.5
213.16313	3.8
215.14311	1.1
215.17842	3.0
217.03444	2.1
217.19493	8.0
219.13766	5.8
219.21082	1.1
221.15364	4.0
225.16307	4.3
226.17139	0.9
227.17950	7.6
229.19466	1.7
231.13823	5.5
231.21120	1.3
233.15367	22.5
235.16876	1.3
239.17931	3.5
241.19466	3.1
243.13760	0.8
243.21143	1.2
245.02892	2.8
245.15358	26.7
245.22672	1.6
247.16920	18.0
249.18524	0.7
253.19507	2.6
255.21309	1.1
257.15280	3.3
257.22748	0.7
259.16949	11.1
261.18515	0.8
263.03983	3.3
267.21039	1.0
269.22620	3.5
271.16913	0.8
273.15234	0.8
273.18570	2.3
279.21161	0.5
281.05112	1.0
285.18387	2.7
287.19998	5.5
291.15866	8.8
293.17508	0.7
293.22552	0.6
299.20044	2.1
301.21622	1.3
305.17395	2.6
313.21683	2.2
321.04626	0.8
327.23157	0.8
331.18909	0.5
333.20575	1.6
335.27322	0.7
339.05713	0.9
356.08276	2.0
359.22321	1.3
377.32016	25.8
378.32294	1.1
379.33356	0.6
387.25217	1.1
387.30350	0.5
399.25156	1.7
405.31516	1.1
423.32721	4.9
425.89508	0.5
437.34146	64.2
438.34457	1.5
439.35458	1.1
455.35620	1.3
465.33740	3.8
483.34683	100.0
484.34979	2.0
537.36908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.417
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.9
65.98589	0.7
67.05186	1.1
67.05505	15.3
69.07069	15.4
69.82167	3.8
71.08628	0.9
79.05139	0.8
79.05497	8.8
81.07058	38.3
83.08617	8.9
85.02909	2.1
91.05474	8.8
93.07046	26.4
93.07635	1.4
95.01277	0.7
95.04999	1.0
95.08611	67.7
97.10161	6.8
98.20760	0.8
101.02373	1.1
105.06321	0.7
105.07038	25.0
107.08597	41.9
109.10159	42.5
111.11715	2.5
112.23946	0.8
112.63423	0.8
113.02383	1.8
115.05421	1.3
117.07006	2.8
119.08586	24.8
119.69189	0.7
121.10146	42.4
123.10835	1.3
123.11713	22.5
128.06236	1.3
129.06975	3.8
131.08568	20.7
133.10138	23.6
135.11699	35.0
137.13269	18.4
137.14343	0.6
141.01794	1.6
142.07758	1.4
143.08560	15.2
144.09360	1.8
144.26857	0.7
144.36041	0.7
145.10115	17.5
145.11160	1.4
147.11691	25.2
149.13263	29.0
151.14766	1.9
155.08563	2.0
156.09312	2.3
157.10129	22.2
158.10896	3.1
159.02858	0.9
159.11703	24.8
160.12198	0.7
161.13266	23.5
163.07568	4.6
163.14827	11.8
169.10141	4.1
170.10925	1.2
171.11700	15.1
173.13264	77.2
175.14833	9.7
177.09204	1.2
177.16406	10.2
179.17998	1.0
179.57443	0.9
183.11711	6.2
185.13261	72.2
186.13686	1.3
187.14824	56.2
188.15282	1.0
189.16393	8.7
191.17953	100.0
192.18275	1.4
193.12250	2.3
197.13277	8.2
199.12988	1.6
199.14827	27.0
201.12863	3.5
201.16428	9.2
203.17958	42.1
205.12109	0.9
205.19530	35.1
207.13812	6.4
211.14827	4.2
213.12756	2.1
213.16322	6.6
215.17949	6.5
217.19518	11.2
219.13812	8.3
219.21140	1.4
219.57262	0.7
221.15430	5.2
225.16420	6.3
226.17126	1.8
227.17914	10.3
229.19533	3.1
231.13853	8.7
231.21063	1.6
233.15376	30.3
235.16913	2.1
239.17944	6.0
241.19579	3.9
243.13806	1.6
243.21027	1.6
245.15392	37.2
245.22563	1.7
247.16937	24.1
253.19701	4.6
255.21106	2.2
257.15286	4.2
258.16165	0.8
259.16940	15.4
261.18488	1.7
267.21225	1.7
269.22556	6.0
271.17050	1.1
273.18454	4.8
275.20010	2.7
279.21146	1.6
285.18460	3.2
287.20032	6.6
289.21692	1.3
291.15900	12.2
293.17502	1.2
299.20059	2.6
301.21637	3.0
305.17459	3.3
313.21716	3.5
315.23059	1.2
327.23227	1.6
333.20575	1.3
335.27414	1.6
341.24896	1.0
359.22318	1.7
367.26086	0.9
372.07748	1.7
377.32056	32.6
379.33368	1.5
387.25204	1.7
399.25385	2.4
405.31363	1.1
413.26569	1.0
423.32690	8.4
437.34171	86.5
438.34576	2.4
439.35675	0.9
455.35168	1.2
465.33694	7.3
483.34711	97.9
484.35046	2.2
518.88159	0.8
568.34680	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	0.9
65.53468	0.3
67.05505	4.6
69.03439	1.7
69.06731	0.6
69.07067	7.1
71.08609	0.5
73.02901	0.9
73.21584	0.3
79.05489	4.5
81.03396	1.5
81.07058	13.9
83.08623	3.9
85.02908	9.1
87.04479	0.4
90.68560	0.4
91.03934	0.6
91.05474	3.9
93.06487	0.7
93.07040	12.5
95.04958	0.5
95.08606	33.5
97.02893	2.5
97.10172	3.1
99.04478	0.8
105.06310	0.6
105.07022	11.6
106.54501	0.4
107.08593	20.4
108.83321	0.4
109.02871	0.8
109.06573	0.5
109.10155	20.3
111.11720	0.5
117.06987	1.3
119.07704	0.7
119.08578	14.4
121.10143	27.2
123.11703	7.8
127.03906	1.6
129.06973	0.8
130.11055	0.3
131.04929	0.7
131.07605	0.6
131.08569	11.8
133.10124	12.8
135.11691	18.8
137.13252	4.3
141.01855	0.4
143.08557	4.3
144.06567	0.7
144.09428	0.4
145.04976	2.5
145.10129	11.4
147.10509	0.8
147.11679	14.6
149.05922	0.5
149.13254	12.0
151.14775	0.6
155.08589	0.5
156.09352	0.6
157.10129	5.1
158.10902	1.6
159.11694	17.3
161.13248	13.4
162.07681	1.8
163.07544	2.2
163.14816	10.3
169.10158	0.9
171.11690	7.8
173.13260	39.5
174.13652	0.6
175.14832	7.7
176.33203	0.3
177.16391	3.5
180.08678	7.6
183.11693	1.4
185.13260	18.4
187.14821	48.6
188.15131	0.5
189.16386	7.9
191.17944	100.0
192.18236	0.9
193.12350	0.8
197.13216	2.0
199.14810	6.2
201.12740	1.2
201.16373	5.9
203.17952	19.9
204.18304	0.4
205.12315	0.7
205.19533	11.0
207.13774	3.3
211.14886	1.3
213.12900	0.5
213.16380	4.0
215.14355	1.3
215.17929	5.7
217.19487	6.2
219.13785	3.6
219.20953	0.5
221.15372	2.4
221.18993	0.8
225.16437	1.8
227.17955	2.3
229.19452	1.9
231.13792	2.3
231.21127	1.1
233.15367	18.8
235.16972	1.4
239.17937	1.6
241.19554	1.2
243.21024	1.0
245.15366	9.5
245.22626	0.9
247.16928	29.6
249.18619	0.7
253.19469	1.2
255.21175	0.6
257.15427	1.0
257.22507	0.4
259.16956	4.7
261.18549	1.4
267.21072	0.7
269.22559	2.3
271.16934	0.5
273.15594	0.6
273.18326	2.7
275.20105	2.6
279.15979	0.6
285.18594	0.6
287.19958	2.1
289.21570	1.3
291.15875	4.2
293.17529	0.6
299.20065	0.8
301.21805	0.5
305.17459	0.8
313.21667	1.0
319.18958	0.8
321.25574	0.5
327.23187	0.7
341.24722	0.4
377.32040	10.6
387.25427	1.0
395.33234	1.5
397.22485	0.4
405.31192	0.9
423.32617	2.7
437.34189	34.0
438.34589	1.0
439.35535	0.7
455.35168	2.9
465.33636	3.5
483.34695	78.9
484.35037	2.0
501.16611	0.4
576.93506	0.4
627.39117	0.5
631.38159	0.6
802.19482	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	10.7
68.29713	0.7
69.03409	0.8
69.07072	15.1
69.85201	3.0
71.01349	0.9
71.08631	1.0
76.12335	0.6
79.05499	7.7
81.07063	37.5
81.60918	0.8
83.08628	8.9
85.02876	1.7
91.05474	6.7
92.79710	0.6
93.07050	22.0
95.08616	64.6
97.10175	4.6
101.02380	0.8
105.07036	26.9
107.07879	1.5
107.08607	33.4
109.10168	38.2
111.11727	2.1
113.02341	1.0
117.07027	2.1
119.08588	23.1
121.10159	41.1
123.11719	21.5
128.06221	1.0
129.07007	3.0
131.03456	0.8
131.04930	1.6
131.08578	18.9
133.10141	22.9
135.11705	27.7
135.12733	1.7
137.13266	15.7
141.01826	1.4
141.07098	0.7
142.07834	0.9
143.08546	9.2
144.09354	1.7
145.10132	18.7
147.10535	0.8
147.11702	23.7
149.13275	26.1
151.14790	1.4
155.08531	2.4
156.09377	1.6
157.10138	15.8
157.11130	0.4
158.10881	3.0
159.11708	25.3
159.13036	1.4
160.12485	0.8
161.13271	26.0
161.14636	1.3
163.07558	4.3
163.14835	11.2
167.07040	0.9
169.10106	3.1
170.10844	1.0
171.11693	16.7
173.13278	68.8
175.14836	11.7
177.16412	7.2
179.17966	1.1
183.11699	4.2
185.13277	55.0
187.14836	53.9
188.15208	0.8
189.12846	0.8
189.16385	10.0
191.17964	100.0
193.12299	1.8
197.13242	6.6
198.14127	0.8
199.14838	22.3
201.12773	1.6
201.16397	7.8
203.17970	37.2
205.12320	1.0
205.19536	28.6
207.13773	6.6
209.13229	0.9
211.14842	4.1
213.12791	2.2
213.16385	5.5
215.14276	1.9
215.17984	5.1
217.12332	1.0
217.19568	9.7
219.13858	7.3
219.21059	1.2
221.15387	4.5
225.16467	4.3
226.17162	1.5
227.17972	7.9
229.19524	2.8
231.13867	5.7
231.21025	1.2
233.15385	31.4
235.16971	2.8
239.17978	2.9
241.19490	3.7
243.13960	1.1
243.21053	2.1
245.15395	26.9
245.22719	2.2
247.16945	28.9
249.18633	1.3
251.17940	0.7
253.19643	3.3
255.21115	2.0
257.15436	4.1
258.16226	1.1
259.16971	15.7
261.18549	2.2
267.21124	1.2
269.22659	4.5
271.16882	1.4
273.18411	3.5
275.20096	2.4
285.18423	2.2
287.20117	7.0
289.21582	0.8
291.15909	8.5
299.20084	2.2
301.21564	2.0
305.17523	3.7
313.21628	3.4
315.23340	1.1
321.25635	0.8
327.23288	1.9
333.20453	0.8
359.22229	1.3
372.08038	0.9
377.32065	24.5
379.33719	1.2
381.27917	0.9
387.25229	1.7
395.29224	1.1
399.25372	2.3
405.31644	1.4
423.32736	6.3
437.34192	79.2
438.34406	1.6
439.35544	0.9
455.35440	1.4
465.33752	6.6
483.34744	90.4
484.34964	2.1
854.41858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.0
67.05511	6.1
69.03413	2.1
69.06731	0.8
69.07069	8.5
70.00296	1.6
70.00690	2.0
70.06561	1.1
71.01331	2.0
73.02918	7.2
77.02396	0.9
77.03917	0.9
79.05481	7.8
81.07062	27.7
83.01327	3.3
83.08623	3.9
85.02904	10.1
90.44371	0.7
91.05484	11.9
93.06489	1.3
93.07050	18.8
95.04982	1.5
95.08613	29.1
97.02866	2.5
97.06565	1.1
97.10149	1.5
99.00793	1.8
101.02381	13.8
103.03957	0.8
105.07035	58.7
107.08605	23.7
109.06525	3.9
109.10162	13.3
113.02370	15.5
117.06992	3.5
119.08591	44.5
121.06551	1.0
121.10162	16.0
123.08047	1.8
123.11729	7.0
128.06160	1.1
129.07004	2.6
131.03348	1.4
131.08586	13.8
133.06519	1.1
133.10138	30.6
135.11693	21.4
137.13266	8.5
141.01816	3.3
142.07765	1.1
143.08582	7.3
144.09315	1.0
145.10129	14.1
146.11002	0.8
147.08066	2.0
147.11688	25.3
149.05965	1.0
149.09653	1.0
149.13287	7.5
155.08540	3.2
157.10144	6.6
158.10751	0.8
159.02904	5.1
159.08020	1.3
159.11696	26.6
160.12447	1.2
161.09607	2.0
161.13263	97.1
163.14824	6.5
165.05466	1.5
169.10147	3.0
171.11691	9.5
173.09660	0.9
173.13272	8.4
175.11166	0.9
175.14833	6.4
177.16368	2.4
179.14278	2.7
183.11707	4.0
185.13272	14.7
187.11214	6.8
187.14835	25.0
189.12758	49.7
189.16388	93.2
191.14331	2.3
191.17944	13.6
195.11725	1.6
197.13243	2.7
199.14824	5.1
200.34486	0.7
201.12663	1.2
201.16391	4.2
203.14290	5.0
203.17932	2.7
205.12254	11.4
205.15906	2.0
205.19518	4.2
207.13817	15.5
207.17426	3.5
209.13235	1.6
211.14825	3.2
213.12903	1.2
213.16402	5.9
215.14349	2.4
215.17963	5.3
217.12317	1.5
217.15952	1.4
219.13753	1.3
221.15367	2.2
223.14816	1.6
225.16405	2.5
227.17944	2.2
229.19508	1.4
231.13792	4.4
231.17384	1.4
233.11710	8.5
233.15425	1.7
233.18999	1.1
235.13304	34.2
237.16356	1.0
239.17934	7.1
241.19571	1.7
245.15378	0.9
247.13312	1.3
247.16898	0.9
249.14885	3.3
251.17982	0.9
253.19618	1.8
257.19016	2.0
259.20514	1.0
267.15918	1.0
271.20486	1.5
285.18356	1.2
299.20096	1.2
303.19437	0.8
371.25772	1.4
375.30426	6.5
393.26315	1.2
393.31497	20.7
395.32968	1.1
421.30957	13.6
435.32556	2.4
439.32104	100.0
440.32172	1.4
449.18060	1.0
453.33658	5.1
457.33112	1.5
467.19147	1.3
499.34079	2.7
543.20959	4.5
574.66943	0.8
673.36188	1.1
725.29626	3.8
729.34991	1.7
747.35834	34.9
775.34875	2.6
793.36450	31.1
807.23950	1.3
807.37878	13.4
853.38989	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	845.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02887	0.5
68.99751	0.6
69.03432	8.2
69.18604	0.2
70.06590	1.1
71.04955	0.5
72.08123	0.5
73.02888	0.6
80.38824	0.2
81.03422	3.4
83.04955	0.2
84.08107	0.3
85.02908	6.5
86.09692	0.3
87.00827	2.7
87.04471	1.5
87.42719	0.2
90.87780	0.2
91.03921	0.3
92.94791	0.2
93.03378	0.2
95.04951	0.2
97.02899	4.2
99.04455	0.8
103.05386	0.3
105.01881	1.2
107.04936	0.2
109.02242	0.2
109.02887	2.2
110.24297	0.2
111.00774	0.7
115.03927	1.9
117.01810	0.6
117.03320	0.2
119.04930	0.2
121.02847	0.7
121.06534	0.2
123.04402	0.7
127.03149	0.2
127.03933	3.3
133.04912	0.6
135.04507	0.3
136.07552	0.2
137.02347	2.5
139.03841	0.2
145.02814	0.5
145.04951	1.6
149.02310	0.5
149.05927	0.3
151.03896	0.4
153.01825	2.3
159.02887	2.8
161.05966	0.2
163.03926	1.9
164.04198	0.2
164.06970	0.2
165.01839	1.4
165.05450	0.2
165.43030	0.2
169.05002	0.2
173.05986	0.3
177.04076	0.2
177.05489	0.7
183.02890	0.8
189.03883	0.3
195.06384	0.2
201.05511	0.9
205.05072	0.4
213.03804	0.4
229.02832	0.3
229.04976	2.8
231.05008	3.7
237.02896	0.2
241.07115	0.4
247.06058	0.9
249.06064	0.8
257.04443	2.3
274.04660	0.5
275.05429	0.3
285.04041	1.1
303.04993	100.0
304.05341	1.4
315.04840	0.3
325.09369	0.2
327.07758	0.2
345.05948	0.6
345.08109	0.9
363.09262	0.5
369.06012	0.5
394.36148	0.2
408.05414	0.2
435.09262	0.7
465.10315	26.7
466.10947	0.4
479.60187	0.2
481.55899	0.2
493.16812	0.2
533.09003	0.6
551.09808	0.4
713.15088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50661	0.8
61.73891	0.8
70.02954	0.9
70.06592	25.6
71.51823	0.9
72.08154	19.4
73.23193	0.9
79.05459	1.2
81.07050	2.6
82.06565	1.2
83.06096	2.6
84.04506	5.9
84.08141	6.9
84.96024	1.0
85.02901	1.0
85.04010	1.5
85.07669	1.7
86.09708	1.5
91.05465	2.4
93.07024	3.5
95.08593	4.2
98.09675	3.2
98.97594	1.8
99.05547	1.7
101.07113	1.6
102.94939	0.9
103.05461	4.0
103.42175	0.8
105.07014	3.8
107.08573	2.6
109.10156	3.3
111.05557	2.9
113.07066	2.0
113.10742	1.1
115.05466	1.1
116.98621	1.0
117.03326	1.1
118.06523	3.5
119.08576	3.1
120.08108	80.8
121.10122	2.6
125.10689	1.1
127.08710	5.9
129.07024	0.8
129.10225	2.2
130.06532	7.8
131.08586	1.0
132.08069	6.1
133.10156	1.0
134.10548	1.1
135.11722	1.1
137.06000	1.7
139.05048	2.1
139.08702	5.0
141.10242	6.9
142.06546	1.4
143.07402	1.2
143.08528	1.4
144.08092	14.4
145.02829	3.9
145.10115	1.5
146.06001	10.5
147.11658	2.4
149.13242	1.2
150.99109	1.2
153.10233	21.2
154.06621	4.1
155.08205	1.4
156.06839	1.5
156.08064	4.3
157.09747	4.3
158.06029	1.5
158.08382	3.7
158.09618	2.2
159.09181	12.9
159.11674	2.9
161.13257	2.1
165.10243	29.0
167.07031	2.0
167.08244	2.0
168.07956	0.8
169.07616	29.8
169.09712	4.4
170.06013	36.8
170.08266	2.0
171.09186	19.1
173.10648	1.4
173.13225	2.3
174.98917	0.9
175.08678	0.9
175.14827	1.3
177.05467	9.5
181.04997	2.1
181.07605	3.4
181.09700	16.7
182.06000	8.4
182.08406	1.4
183.09157	5.3
183.11320	1.4
184.10849	8.0
185.07103	2.3
185.10684	1.4
187.08635	2.6
187.14790	3.6
188.07068	18.8
189.16371	1.8
191.17917	3.3
192.07814	1.2
195.07628	3.9
195.09193	1.2
197.07097	5.9
197.10818	4.8
198.05397	1.1
198.10251	1.6
199.08640	9.9
199.14841	1.0
200.07080	1.4
205.09729	4.3
207.06483	1.1
208.08694	1.7
209.07082	5.3
209.09241	6.6
210.12373	14.5
211.08643	11.1
212.10345	4.6
213.06715	5.7
215.08191	17.8
217.09758	3.6
225.06599	2.1
225.10194	2.6
225.13760	1.4
226.09795	10.5
227.08086	2.4
228.08781	1.1
228.13423	1.7
231.11304	1.0
232.10777	2.9
236.08069	1.4
237.06548	2.3
237.13580	1.0
238.11870	14.4
239.08099	1.2
241.13353	1.6
242.05243	1.0
243.07611	1.2
247.17134	1.2
251.11781	1.4
252.11365	1.2
252.14891	1.1
253.09750	1.5
253.13354	5.5
254.09305	1.4
255.07631	2.6
255.14629	1.3
256.12952	1.4
260.10260	2.4
265.13135	1.1
268.14447	2.6
269.12900	1.5
270.16025	2.1
279.07718	1.2
280.14450	5.8
281.12866	10.3
282.12399	2.4
283.13943	5.8
284.13864	1.5
296.13959	3.9
298.15417	4.6
308.13922	7.2
310.11810	4.8
310.15414	3.0
312.13272	3.6
314.15024	5.3
324.13376	2.2
324.16837	1.5
325.16562	8.8
326.14929	6.4
328.16513	2.6
335.14938	3.3
336.09952	1.3
336.13452	10.7
338.15009	2.5
340.12909	5.2
343.13815	1.5
351.17905	1.0
353.16074	31.7
354.14459	11.8
355.17816	1.5
356.16074	2.3
359.17126	2.4
369.19006	1.3
371.17197	1.8
373.18719	11.1
379.17630	2.7
381.15408	4.9
382.14011	20.6
396.20313	4.8
397.18384	1.6
398.21906	4.0
399.16647	31.9
407.17126	2.2
409.18396	1.5
411.00598	1.4
424.19781	63.7
425.18765	2.9
426.21344	31.8
430.20901	1.5
437.34015	1.7
442.20816	18.8
452.19324	11.3
469.33408	1.0
470.20364	100.0
471.20712	2.6
487.22845	1.1
567.25348	4.1
634.29449	2.0
842.37891	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42411	0.3
67.05519	0.4
68.05029	0.4
69.04562	0.3
69.88379	1.2
70.02975	0.5
70.06593	30.8
72.08159	19.7
79.05504	0.5
81.07053	1.0
82.06581	1.2
83.06104	2.1
84.04508	7.6
84.08140	4.8
84.08612	0.4
85.04037	1.2
85.07666	1.5
86.09685	0.6
87.05589	1.0
91.05478	2.0
93.04644	0.3
93.07043	2.1
94.06561	0.5
95.08609	0.7
98.06052	0.5
98.09691	1.9
99.05594	1.4
99.09203	2.3
100.07607	0.4
101.07138	1.6
103.05464	6.0
105.07009	0.6
107.08624	0.6
109.10138	0.6
110.06020	0.9
110.07162	0.5
111.05570	2.5
111.09218	0.3
112.07605	0.4
113.07129	1.7
113.10767	1.5
115.04946	0.5
115.05505	0.9
116.04999	0.3
117.07005	0.4
118.06546	2.9
119.08577	0.4
120.08108	100.0
121.08460	0.7
124.80145	0.3
125.07156	0.5
125.10799	0.7
127.08685	8.2
129.06648	0.4
129.10272	1.2
130.06528	7.9
131.08516	0.3
132.08086	6.0
132.09021	0.5
135.11598	0.3
136.07568	0.4
137.05984	0.6
137.85953	0.3
139.05016	1.6
139.08670	6.3
141.06676	0.6
141.10231	5.5
142.06517	2.1
143.07294	0.7
144.08083	14.6
145.02867	0.6
145.07593	0.6
145.10124	0.4
146.04839	0.6
146.06007	13.2
153.10237	18.5
154.06528	5.0
155.07065	0.3
155.08185	3.3
155.11826	1.3
156.06880	0.5
156.08081	5.3
157.07629	1.2
157.09723	4.1
158.06108	1.4
158.08412	3.0
158.09651	1.7
158.10745	0.3
159.09169	12.2
160.07527	0.7
165.10246	21.6
167.08217	3.3
168.08109	1.1
169.07610	29.7
169.09700	3.9
170.06015	34.1
170.08406	2.0
171.09172	18.0
172.07545	1.1
172.09869	0.6
173.07104	1.0
173.10800	0.9
175.08720	1.0
177.05479	1.5
177.10315	0.5
181.05092	0.4
181.07658	2.9
181.09747	16.1
182.06026	9.5
182.08426	1.0
182.09753	0.5
182.12877	0.7
183.07669	0.2
183.09187	5.8
183.11246	0.8
184.07520	0.8
184.10844	9.3
185.07129	2.9
185.09233	0.4
185.10788	1.3
186.05573	0.3
186.10304	1.2
187.08655	2.2
187.14864	0.5
188.07066	22.0
189.07372	0.3
191.18039	0.5
193.07509	0.4
194.06256	0.3
194.08281	0.5
195.07678	5.9
195.09244	1.7
197.07100	6.0
197.09152	0.6
197.10800	5.3
198.05449	1.7
198.07845	0.5
198.10199	1.5
199.06856	0.6
199.08670	10.4
199.12317	0.9
200.07089	1.0
201.13914	0.9
205.09721	5.3
208.08679	0.9
208.10944	0.8
209.07130	4.8
209.09262	7.4
209.11011	0.5
210.08002	1.0
210.10320	0.9
210.12369	14.6
211.08656	8.6
212.10339	7.2
213.06622	4.8
213.08618	0.5
213.13985	0.3
214.10014	0.5
215.08167	17.9
216.08502	0.4
216.11305	0.7
217.09790	2.9
217.13469	0.3
221.07292	0.4
222.10373	0.3
223.08727	0.7
223.12300	0.4
225.06622	1.5
225.10312	2.0
225.13805	1.7
226.09732	8.2
227.08247	2.8
227.10266	0.4
227.12057	0.4
228.06631	0.8
228.08884	0.5
228.11459	0.4
228.13330	1.4
229.09772	0.4
229.13399	1.2
231.11353	0.7
231.13713	0.4
232.10811	4.4
235.08617	0.6
235.12350	0.4
236.08125	0.8
236.10373	0.5
237.06651	1.4
237.13779	1.3
238.09738	0.8
238.11867	12.7
239.08191	0.8
239.12013	0.5
240.11273	0.6
240.14934	0.4
241.06117	0.4
241.09819	0.8
241.13408	1.0
242.12845	0.4
243.07716	1.3
243.11343	0.4
244.11086	0.3
251.08118	1.1
251.11926	1.1
252.07576	0.4
252.11401	0.8
252.15024	1.3
253.09784	1.0
253.13382	5.4
254.09270	1.1
255.07642	2.6
255.14485	1.5
256.12952	1.1
257.13013	0.4
260.10278	2.4
261.08688	0.7
264.11081	0.4
265.13260	0.6
266.12933	0.6
268.10910	0.7
268.14523	2.8
269.09467	0.3
269.12894	1.1
270.12894	0.5
270.16046	2.1
272.10263	0.9
274.15479	0.9
276.13437	1.8
279.07590	0.5
280.14456	8.1
281.12848	10.2
282.12430	2.6
282.15717	0.6
283.14023	9.3
284.13971	1.0
286.15549	0.8
288.13229	0.5
292.14484	0.4
294.08853	0.4
294.15930	0.4
296.10580	0.5
296.13989	3.0
296.17337	0.6
297.12772	1.1
298.15512	4.3
303.14581	1.2
307.15320	0.7
308.13919	6.1
308.17426	0.4
310.11887	4.2
310.15549	1.8
312.13321	2.6
314.14987	5.3
315.14526	0.5
316.16803	0.5
324.13397	1.7
324.17068	1.5
325.12543	0.9
325.16556	8.0
326.11337	0.3
326.14929	5.7
326.18466	0.4
328.16547	2.2
333.15424	0.5
335.15054	2.8
336.13440	8.8
337.16788	0.6
338.14844	2.2
340.12939	3.3
340.16632	1.4
342.14728	1.5
343.13925	2.1
351.18188	1.2
352.16632	0.5
353.16077	23.9
354.14456	9.0
355.17667	1.5
356.15918	1.8
359.17224	1.3
360.16064	0.6
363.14587	0.6
364.12671	0.7
368.16159	0.9
369.19226	1.1
371.17255	1.7
373.18686	11.4
379.17587	1.9
381.15411	3.4
381.19412	0.7
382.13962	17.8
383.17398	0.8
385.18857	0.4
396.20276	3.5
397.18747	1.6
398.21939	3.9
399.16629	26.0
400.16705	0.4
406.18915	0.9
407.17114	1.3
409.18814	1.0
424.19797	45.7
425.18405	2.0
426.21368	26.7
427.21674	0.7
430.20895	0.8
434.17999	0.5
441.22165	0.7
442.20856	13.2
444.22684	0.3
452.19321	10.9
453.18109	0.5
459.23529	1.4
469.21808	0.4
470.20367	95.0
471.20792	1.8
482.23843	0.9
487.23114	2.1
488.21469	1.2
510.23123	0.6
539.26282	1.3
552.21796	0.4
567.25629	6.2
610.30530	0.4
634.29779	2.0
638.29163	1.7
651.28992	0.6
708.31207	0.6
714.32281	0.4
771.34094	0.5
796.37787	0.9
814.38556	0.8
824.36963	0.5
842.38214	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	5.0
63.18277	0.8
67.05494	5.0
69.03437	3.1
73.02933	2.4
77.64928	0.8
79.05499	3.7
81.03436	1.7
81.07069	3.5
81.62470	1.0
85.02893	5.2
91.03972	1.7
91.05491	1.9
93.07070	3.1
95.08624	3.8
97.02885	5.1
98.21539	2.4
101.02438	1.6
103.03966	1.2
105.07059	1.9
107.08633	1.4
109.02898	1.1
109.10175	2.1
111.83524	0.9
115.03981	0.9
121.10159	1.9
127.03873	0.9
133.10191	1.3
138.56133	1.0
166.98642	0.9
184.07372	1.7
243.08514	2.5
255.82239	0.9
315.31155	1.0
319.49933	0.9
333.20612	3.2
335.26071	1.2
519.29401	6.9
551.28168	2.4
829.50720	100.0
830.50861	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.401
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66396	0.8
64.34757	0.8
67.05511	10.9
69.07069	14.5
70.06595	1.8
71.20918	1.0
71.52098	1.7
79.05499	8.6
81.07059	35.2
83.08633	7.7
85.02912	1.7
91.05480	6.5
93.07048	19.9
93.07636	1.3
95.04958	1.1
95.08611	51.7
97.10189	5.9
105.07034	23.8
105.07613	0.6
107.08599	32.4
109.10159	33.9
119.08585	21.0
121.06511	2.0
121.10149	33.1
123.11699	16.4
128.06267	1.1
129.07013	2.7
130.40350	0.9
131.04877	0.9
131.08580	12.4
133.10141	13.1
135.11697	26.5
137.05959	1.1
137.13258	16.5
141.01871	2.0
143.08548	8.2
145.10129	10.8
147.11690	11.8
149.13268	25.4
151.14812	1.8
155.08563	1.9
157.10150	12.9
158.10892	1.8
159.02866	1.0
159.08150	1.1
159.11696	14.0
161.13254	8.6
163.07536	1.6
163.14810	7.5
169.10121	2.0
171.11678	6.8
173.11775	1.8
173.13272	31.1
175.14793	6.2
177.05475	1.6
177.16405	6.4
183.11736	2.7
185.13263	43.2
186.13527	0.9
187.14832	22.0
189.16382	6.1
191.17960	58.6
193.12299	2.6
197.13202	4.9
199.14819	17.3
201.12843	1.2
201.16397	3.4
203.14417	1.0
203.17950	21.2
205.12212	2.7
205.19530	34.7
207.13937	2.0
211.14839	3.2
213.12698	1.1
213.16382	2.2
215.17998	2.7
217.12334	3.0
217.19447	8.0
219.13814	26.3
225.16426	3.0
227.17921	6.0
229.12169	1.1
229.19678	1.3
231.13809	46.1
233.15341	13.0
239.17937	2.7
241.19443	2.8
243.13829	4.3
244.14607	1.1
245.15385	25.3
245.17711	1.9
245.22589	1.7
247.17140	1.6
253.19588	1.7
257.15414	1.3
259.16937	2.7
271.16910	4.1
273.18457	11.9
277.14337	16.8
285.18530	3.7
287.20035	2.4
291.15973	6.1
299.20071	4.2
313.21631	2.0
317.16779	1.0
319.18945	2.4
345.20700	2.1
372.07935	1.2
373.23651	1.6
377.31979	8.7
385.23685	2.2
393.30582	1.0
397.84088	1.0
423.32620	46.8
424.33200	1.4
451.32043	2.9
469.33170	100.0
470.33444	3.3
731.07257	1.0
732.90820	1.1
750.49683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.9
65.08709	1.0
67.05514	7.9
69.03436	2.6
69.07068	9.6
69.42452	1.8
69.42852	5.2
70.06590	0.9
71.08656	1.0
73.02925	7.0
74.17616	0.9
79.05482	5.4
80.19168	0.8
81.06599	1.4
81.07063	25.5
83.08623	5.3
85.02898	3.5
91.05493	5.7
93.07047	16.2
95.01334	1.5
95.08612	42.6
97.02905	6.1
97.10155	3.0
98.97601	1.2
105.07037	16.9
107.08603	25.8
109.10165	25.2
111.11716	2.2
115.03951	4.4
117.07027	1.3
119.01870	0.8
119.07818	1.2
119.08588	16.4
121.10161	25.8
122.24110	0.8
123.11716	14.9
129.06982	1.9
130.78308	0.8
131.04897	1.3
131.08575	12.6
133.04941	1.7
133.10138	14.8
135.01286	0.8
135.11699	19.0
137.13263	10.3
141.01845	6.4
142.07764	1.0
143.08594	7.5
145.10147	11.5
147.11696	18.8
149.13269	16.4
150.07596	1.5
155.08537	1.1
157.10146	13.1
158.10869	2.0
159.02931	2.2
159.11699	16.3
161.13264	16.4
163.07553	3.2
163.14835	5.4
169.10106	2.1
171.11691	10.1
173.13272	46.3
174.13506	1.1
175.14822	10.0
176.15085	1.0
177.16422	5.7
179.17961	1.4
183.11703	3.4
185.13266	45.5
187.14828	34.7
188.15250	1.7
189.16376	4.3
191.17960	55.5
193.12297	1.7
197.13313	4.8
199.14815	13.3
201.12727	1.0
201.16429	5.9
203.17958	30.9
205.17697	1.3
205.19537	19.7
207.13823	3.8
211.14813	3.4
213.12782	0.9
213.16324	4.1
214.16422	0.9
215.17937	2.5
217.19490	7.3
219.13824	5.7
219.21039	1.0
221.15369	4.0
225.16325	4.4
226.17044	1.3
227.18008	6.1
229.19559	2.3
231.13838	5.4
231.21077	1.4
233.15370	19.6
235.16914	1.3
239.17897	3.5
241.19514	2.7
243.21048	1.6
245.15396	20.2
245.22643	1.1
247.16953	16.6
253.19444	3.2
255.21184	2.1
257.15500	1.9
259.16980	7.9
261.18448	0.9
269.22614	4.1
271.17145	1.2
273.06104	1.7
273.18536	2.4
285.18451	2.8
287.19937	3.9
291.15793	6.6
299.19980	2.0
305.17413	1.5
309.08206	0.9
313.21820	1.8
323.23529	0.9
327.23352	1.0
377.02170	1.2
377.32071	25.9
377.36972	1.6
378.32263	1.0
395.02975	1.5
399.25037	1.3
405.31400	1.7
423.32755	5.1
437.34171	58.4
438.34378	1.9
465.33392	4.0
483.34717	100.0
484.34933	3.1
761.39008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50399	0.7
65.03922	0.9
67.05503	11.1
69.03407	1.2
69.07064	14.7
70.06562	0.7
71.08606	0.7
71.51859	1.1
73.02906	1.6
75.04463	0.7
77.02399	6.6
79.05489	7.3
81.07053	33.1
83.08617	7.7
85.02900	12.5
91.05463	7.3
93.06480	1.2
93.07043	19.4
95.01316	2.5
95.04941	0.8
95.08606	54.5
96.03248	0.6
97.02905	4.7
97.10168	5.8
99.81592	0.7
101.02373	1.8
103.03979	1.6
105.07030	22.0
107.08589	32.1
109.10155	33.1
111.11739	2.2
112.58280	0.6
113.02359	4.8
117.07043	1.0
119.07688	1.0
119.08578	20.0
121.10141	34.8
123.11709	20.8
126.51929	0.6
129.01802	1.1
129.07008	2.3
130.07787	0.6
131.03406	2.3
131.04907	0.9
131.08566	15.9
133.10132	19.0
135.11685	29.5
137.13252	15.7
141.01822	13.8
142.07703	1.3
143.08546	12.6
145.10120	12.7
147.11679	18.7
149.13263	24.3
151.02399	3.5
151.14799	1.8
155.08575	2.7
156.09279	1.0
157.10129	18.0
158.10944	1.8
159.02885	7.0
159.11690	18.6
161.13255	18.7
163.07585	4.0
163.14796	8.1
169.10132	3.3
170.10884	0.9
171.11693	12.4
172.12538	0.6
173.13261	55.3
174.13789	1.0
175.14861	9.2
177.03946	4.9
177.16368	7.6
179.17996	1.0
183.11691	4.6
185.13252	66.7
187.02361	2.1
187.14815	41.3
188.15253	1.0
189.16385	7.1
191.17943	70.7
193.12349	1.4
197.13319	5.9
199.14816	19.6
201.12747	2.0
201.16397	6.4
203.17952	31.5
205.12241	1.0
205.19514	29.1
205.21460	1.5
207.13841	4.4
207.21016	1.1
211.14798	3.9
213.12769	1.5
213.16359	5.4
215.14375	1.1
215.17984	3.9
217.19501	8.7
219.13814	5.8
219.21140	1.2
221.15331	4.7
225.16394	5.8
226.17079	1.2
227.17953	8.5
229.19528	2.8
231.13809	6.7
231.21063	1.1
233.02969	1.5
233.15352	26.9
235.16956	1.7
239.17892	3.7
241.19440	3.8
243.13815	1.5
243.21164	0.9
245.15369	29.5
245.22659	1.3
247.16939	21.5
249.18347	1.0
251.17767	0.8
253.19533	4.0
255.21053	1.6
257.15451	3.7
257.22766	0.8
259.16931	13.9
261.18478	0.9
267.21155	1.1
269.22562	4.2
271.17001	1.4
273.18570	2.5
279.21234	1.0
285.18497	3.3
287.20047	5.4
291.15872	10.6
293.17416	1.4
299.20071	2.4
301.21609	1.5
305.17575	2.8
309.04593	3.0
313.21603	2.4
326.07199	1.1
333.20514	1.3
335.27039	1.0
359.22116	0.9
377.32010	35.0
378.32431	0.7
379.33560	1.2
387.25171	1.4
391.80862	0.7
395.33392	1.0
399.25333	2.4
405.31461	1.1
409.34766	1.0
423.32474	6.8
437.34164	76.4
438.34570	1.8
455.35187	2.0
465.33496	5.8
483.34695	100.0
484.35089	2.3
550.31482	0.7
763.38977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.9
67.05505	11.4
69.03421	0.9
69.06731	0.8
69.07072	11.1
69.93200	1.7
70.06578	1.7
71.01357	0.6
71.08632	0.5
77.02441	0.5
77.03899	0.5
79.05499	6.8
81.07059	32.8
81.97951	0.5
83.08627	6.2
84.08145	0.6
85.02875	1.2
85.70432	0.5
86.09706	1.1
87.86670	0.5
89.03902	0.6
91.05484	6.6
93.07050	18.1
93.07639	1.0
95.03468	0.5
95.04956	1.0
95.08611	50.0
97.02891	0.9
97.10185	4.8
103.05490	0.7
105.07032	17.5
107.08600	28.3
109.10162	25.8
111.08090	4.2
111.11728	1.7
113.02375	0.8
115.05470	1.1
117.03433	0.5
117.07027	3.5
119.04984	0.6
119.08586	15.3
121.06506	2.2
121.10149	29.6
123.08089	2.6
123.10825	1.0
123.11707	17.3
125.09665	0.8
128.06172	0.7
129.07019	2.0
131.08582	8.5
131.66125	0.5
133.10144	10.5
135.11700	21.9
137.05994	1.6
137.13264	15.7
141.01849	1.2
141.06993	0.6
142.07748	0.9
143.08557	8.1
144.09337	0.8
145.10124	10.4
147.07933	0.5
147.11687	9.4
149.09572	0.6
149.13269	21.9
151.07549	0.7
151.14803	1.3
155.08551	4.0
156.09357	0.5
157.10086	5.4
158.10904	0.7
159.02916	1.0
159.08052	0.6
159.11707	11.1
161.09607	1.2
161.13251	7.2
163.11217	0.6
163.14848	5.9
167.07043	2.3
168.09254	0.5
169.10138	4.2
170.10945	0.8
171.11702	6.3
173.13281	9.1
175.11203	6.5
175.14832	15.7
177.05484	1.6
177.12801	1.6
177.16377	6.3
179.17996	2.1
181.04857	0.6
181.10101	0.6
182.10939	0.6
183.11711	2.3
185.13234	5.8
187.11235	5.8
187.14819	27.0
189.12752	3.1
189.16400	9.0
191.17960	44.1
193.12238	0.6
195.11713	0.5
197.13287	6.9
199.14836	4.6
200.15611	0.5
201.12794	2.1
201.16368	8.5
203.14371	7.4
203.17963	17.6
205.19524	33.4
207.21124	0.6
211.14810	2.0
213.16449	1.8
215.14323	13.0
215.17949	2.2
217.15924	4.2
217.19484	5.5
219.13864	1.2
221.15434	1.5
225.16377	1.2
226.17180	0.6
227.14349	2.0
227.17979	1.6
229.15897	14.6
229.19279	2.8
231.13872	3.4
231.17294	0.6
231.21100	1.2
233.15364	8.4
235.07797	0.5
235.16948	0.6
237.16475	0.7
239.17992	1.0
241.15976	1.7
241.19554	1.6
243.13855	4.2
243.17432	2.0
243.21187	1.4
245.15469	1.7
247.16995	1.5
253.19466	0.6
255.17458	3.5
255.21074	1.2
257.15402	1.0
257.19025	3.9
257.22571	0.5
261.14877	17.5
269.19058	2.3
269.22665	1.1
271.20605	1.6
275.16461	6.0
283.20663	2.2
289.17972	0.8
297.22083	1.1
301.17987	1.2
301.21661	0.7
303.19510	2.1
315.19577	1.0
329.21283	2.3
343.22614	0.8
357.24298	2.1
363.30453	1.2
369.24216	1.9
379.29584	3.7
379.33817	2.0
389.31839	1.5
397.27463	0.6
407.33072	18.1
425.33981	3.3
435.32535	3.7
453.33661	100.0
454.33987	2.7
469.33075	0.9
470.33630	1.0
687.24811	1.0
824.39636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55150	0.5
65.03922	1.1
67.05507	11.3
69.06737	0.7
69.07072	11.6
69.94411	2.7
71.08622	0.7
72.11627	0.6
79.05499	5.9
81.07060	31.9
83.08615	6.8
85.02883	1.0
91.05481	6.7
93.07051	19.3
95.04975	1.0
95.08610	56.3
96.76328	0.5
97.10193	4.5
98.21602	0.7
105.07035	18.3
107.08596	30.0
109.10162	30.0
109.10712	0.4
109.10941	0.9
111.08100	4.3
111.11675	1.3
113.02402	1.3
117.07007	3.1
119.08589	14.5
121.06525	1.1
121.10149	29.6
123.08088	4.1
123.11710	19.3
123.12598	1.1
125.09659	1.0
125.13290	0.6
128.06122	0.7
129.06993	2.4
131.08586	10.6
133.10141	11.7
135.11699	24.1
137.13266	17.5
137.14098	0.3
141.01807	0.7
141.06947	0.8
143.08568	8.9
145.10133	13.0
147.11684	8.9
149.13263	25.3
151.14870	1.4
153.06949	0.7
155.08557	5.7
156.09259	0.7
157.10144	6.8
159.11699	12.4
161.09625	0.8
161.13266	6.9
163.11203	0.8
163.14810	5.8
165.12906	0.9
169.10121	5.8
171.11684	7.7
173.13277	8.7
175.11198	7.6
175.14835	13.5
177.12738	2.2
177.16385	6.3
179.17955	1.4
181.10133	1.0
182.11081	1.5
182.69389	0.6
183.11714	2.6
185.13292	6.1
187.11235	6.7
187.14821	32.9
189.12793	3.4
189.16377	7.9
191.17952	42.5
193.15935	0.6
195.11682	1.1
197.13237	7.8
198.40935	0.6
199.14815	5.9
201.12726	1.6
201.16389	9.8
203.14334	6.9
203.17964	15.6
203.19792	1.1
205.19524	35.3
209.13245	1.2
211.14902	2.1
213.12823	0.6
213.16434	2.2
215.14340	11.5
215.17862	1.1
217.15907	4.0
217.19473	5.3
219.13918	1.1
221.15427	1.1
223.14922	1.1
227.14334	2.5
227.17995	2.0
229.15868	15.4
229.19344	2.9
231.13847	2.8
231.21140	0.8
233.15390	10.3
239.18024	1.0
241.15913	1.9
241.19589	1.3
243.13831	4.4
243.17519	2.1
243.21193	1.1
245.15370	1.6
245.22765	1.0
247.16936	1.6
255.17389	4.1
255.21153	1.1
257.15454	0.6
257.16397	0.7
257.19025	5.0
257.22809	0.8
261.14856	22.3
269.19031	2.6
269.22073	0.7
271.20551	1.5
275.16452	8.5
279.03357	0.7
283.20578	1.9
289.17917	1.1
301.17990	1.5
301.21527	1.3
303.19559	2.6
315.19669	1.1
329.21085	1.9
343.22632	1.5
357.24255	1.7
369.24301	1.4
379.29449	2.7
379.33762	2.1
389.32117	1.9
407.33109	22.3
425.34079	3.7
435.32718	3.4
438.21735	0.6
453.33655	100.0
453.76614	0.6
454.34103	2.1
465.86166	0.6
574.04218	0.6
609.51532	0.7
824.40546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.3
66.04719	0.3
67.05511	1.1
69.03437	0.9
69.31033	0.4
69.31438	1.8
70.06594	2.4
70.52641	0.2
71.01308	0.3
71.04998	0.4
72.08165	0.5
75.04482	1.9
77.03957	0.3
78.04723	1.5
79.05495	2.7
81.03426	1.9
81.07076	0.3
82.04193	0.5
84.04508	0.4
84.08154	0.8
85.02908	4.1
86.09704	0.6
86.70580	0.3
89.03919	0.7
89.06040	0.5
91.05488	5.6
93.03414	6.0
93.07045	2.4
95.04973	2.6
97.02904	1.1
97.06555	1.7
98.06133	0.3
103.05472	9.0
104.46184	0.2
104.46919	0.3
105.03392	0.6
105.04527	0.7
105.07040	3.4
106.04184	9.8
107.04971	5.3
109.02913	0.3
109.06552	0.7
110.03679	0.9
110.07187	0.5
111.04450	0.7
115.05452	2.4
117.03394	0.7
117.07016	2.0
118.04139	2.2
119.04969	1.2
120.05743	0.4
121.06517	12.8
121.10173	0.3
123.04435	2.3
123.08062	0.3
124.05186	0.9
125.06007	5.8
126.18267	0.3
127.03923	0.4
128.06155	0.3
129.07011	0.7
129.10179	0.4
130.04173	0.6
130.42671	0.3
131.04944	9.0
131.05943	0.6
131.08589	0.6
132.05667	0.3
132.76294	0.3
133.02872	1.1
133.06491	4.3
134.03632	2.1
135.04373	1.3
135.08055	1.1
137.05980	4.2
138.03122	0.5
138.06769	0.6
139.03900	0.4
139.07542	1.6
140.04671	0.3
141.06981	0.6
142.02567	0.7
143.04948	0.6
144.05707	0.7
145.02867	1.8
145.05074	0.4
145.05307	0.5
145.06487	2.9
146.03601	0.5
146.07306	0.3
147.04401	1.1
147.07999	1.3
148.05197	5.6
149.05991	21.6
151.03923	1.8
151.07561	1.5
152.04688	0.7
152.08389	0.5
153.05452	2.5
153.09103	5.7
155.05998	0.6
155.07088	0.6
157.06541	0.7
159.08093	0.9
160.05208	0.5
161.06007	5.6
162.07640	0.8
163.03934	1.6
163.07555	10.6
164.04587	0.3
165.05481	1.0
165.09109	0.6
166.06308	0.4
167.07050	30.4
168.07487	0.3
171.06564	1.2
172.05165	0.3
173.05989	3.4
174.06775	0.5
175.07538	1.5
176.04715	1.3
177.05478	15.7
177.09021	0.5
179.07065	0.9
180.08762	0.4
181.04973	38.1
181.08575	13.6
182.05341	0.5
183.06535	0.6
187.07541	2.0
189.05466	0.4
189.09134	0.5
190.06270	1.1
191.07040	46.1
192.07614	0.8
193.04976	0.8
193.08644	3.5
195.06544	2.4
195.08112	0.5
201.05481	0.9
202.06168	0.5
203.07050	1.6
205.04881	0.4
205.08615	2.5
207.06532	1.4
207.08194	0.6
207.09933	1.3
209.08101	100.0
210.08330	1.3
211.07655	0.5
217.08549	1.3
219.08173	0.6
219.10168	2.5
221.08084	0.7
225.07582	0.5
231.06525	0.4
233.08046	2.7
235.07503	0.8
235.09665	3.6
236.08153	0.3
237.09007	0.5
238.25325	0.3
245.08093	0.9
247.07628	0.4
251.09122	0.6
252.07889	0.4
257.08066	0.4
262.06348	0.3
263.09183	15.5
265.08536	0.4
265.10925	0.4
267.10181	1.8
279.10184	0.4
281.08136	0.5
292.07315	0.5
295.09497	0.5
297.11218	1.0
305.08435	0.3
307.09579	0.8
308.06863	0.3
325.10770	2.2
329.13846	0.6
331.11786	0.5
335.09113	0.4
337.10782	0.5
339.12381	1.0
353.09900	0.4
355.11621	0.6
357.13385	3.6
359.14709	0.7
367.11581	0.9
369.13312	0.8
371.14493	0.8
381.13116	0.4
385.12845	6.2
386.13226	0.4
387.14355	1.0
389.15829	0.5
399.14404	2.8
417.15460	18.6
418.15717	0.4
581.23541	0.3
597.23206	0.3
609.22675	1.0
742.70758	0.3
755.82196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.3
66.04719	0.3
67.05511	1.1
69.03437	0.9
69.31033	0.4
69.31438	1.8
70.06594	2.4
70.52641	0.2
71.01308	0.3
71.04998	0.4
72.08165	0.5
75.04482	1.9
77.03957	0.3
78.04723	1.5
79.05495	2.7
81.03426	1.9
81.07076	0.3
82.04193	0.5
84.04508	0.4
84.08154	0.8
85.02908	4.1
86.09704	0.6
86.70580	0.3
89.03919	0.7
89.06040	0.5
91.05488	5.6
93.03414	6.0
93.07045	2.4
95.04973	2.6
97.02904	1.1
97.06555	1.7
98.06133	0.3
103.05472	9.0
104.46184	0.2
104.46919	0.3
105.03392	0.6
105.04527	0.7
105.07040	3.4
106.04184	9.8
107.04971	5.3
109.02913	0.3
109.06552	0.7
110.03679	0.9
110.07187	0.5
111.04450	0.7
115.05452	2.4
117.03394	0.7
117.07016	2.0
118.04139	2.2
119.04969	1.2
120.05743	0.4
121.06517	12.8
121.10173	0.3
123.04435	2.3
123.08062	0.3
124.05186	0.9
125.06007	5.8
126.18267	0.3
127.03923	0.4
128.06155	0.3
129.07011	0.7
129.10179	0.4
130.04173	0.6
130.42671	0.3
131.04944	9.0
131.05943	0.6
131.08589	0.6
132.05667	0.3
132.76294	0.3
133.02872	1.1
133.06491	4.3
134.03632	2.1
135.04373	1.3
135.08055	1.1
137.05980	4.2
138.03122	0.5
138.06769	0.6
139.03900	0.4
139.07542	1.6
140.04671	0.3
141.06981	0.6
142.02567	0.7
143.04948	0.6
144.05707	0.7
145.02867	1.8
145.05074	0.4
145.05307	0.5
145.06487	2.9
146.03601	0.5
146.07306	0.3
147.04401	1.1
147.07999	1.3
148.05197	5.6
149.05991	21.6
151.03923	1.8
151.07561	1.5
152.04688	0.7
152.08389	0.5
153.05452	2.5
153.09103	5.7
155.05998	0.6
155.07088	0.6
157.06541	0.7
159.08093	0.9
160.05208	0.5
161.06007	5.6
162.07640	0.8
163.03934	1.6
163.07555	10.6
164.04587	0.3
165.05481	1.0
165.09109	0.6
166.06308	0.4
167.07050	30.4
168.07487	0.3
171.06564	1.2
172.05165	0.3
173.05989	3.4
174.06775	0.5
175.07538	1.5
176.04715	1.3
177.05478	15.7
177.09021	0.5
179.07065	0.9
180.08762	0.4
181.04973	38.1
181.08575	13.6
182.05341	0.5
183.06535	0.6
187.07541	2.0
189.05466	0.4
189.09134	0.5
190.06270	1.1
191.07040	46.1
192.07614	0.8
193.04976	0.8
193.08644	3.5
195.06544	2.4
195.08112	0.5
201.05481	0.9
202.06168	0.5
203.07050	1.6
205.04881	0.4
205.08615	2.5
207.06532	1.4
207.08194	0.6
207.09933	1.3
209.08101	100.0
210.08330	1.3
211.07655	0.5
217.08549	1.3
219.08173	0.6
219.10168	2.5
221.08084	0.7
225.07582	0.5
231.06525	0.4
233.08046	2.7
235.07503	0.8
235.09665	3.6
236.08153	0.3
237.09007	0.5
238.25325	0.3
245.08093	0.9
247.07628	0.4
251.09122	0.6
252.07889	0.4
257.08066	0.4
262.06348	0.3
263.09183	15.5
265.08536	0.4
265.10925	0.4
267.10181	1.8
279.10184	0.4
281.08136	0.5
292.07315	0.5
295.09497	0.5
297.11218	1.0
305.08435	0.3
307.09579	0.8
308.06863	0.3
325.10770	2.2
329.13846	0.6
331.11786	0.5
335.09113	0.4
337.10782	0.5
339.12381	1.0
353.09900	0.4
355.11621	0.6
357.13385	3.6
359.14709	0.7
367.11581	0.9
369.13312	0.8
371.14493	0.8
381.13116	0.4
385.12845	6.2
386.13226	0.4
387.14355	1.0
389.15829	0.5
399.14404	2.8
417.15460	18.6
418.15717	0.4
581.23541	0.3
597.23206	0.3
609.22675	1.0
742.70758	0.3
755.82196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.0
57.07075	1.1
61.02931	70.6
65.03905	1.3
66.09326	0.9
67.05511	26.1
69.03434	25.6
69.07074	5.9
70.48075	1.2
71.01344	2.9
71.05008	4.8
73.02923	20.3
75.04460	1.9
79.05074	1.5
79.05499	20.1
81.03423	20.9
81.07061	29.7
83.01366	1.6
83.04975	4.1
83.08623	3.9
85.02911	100.0
87.04446	1.8
91.03959	50.5
91.05475	12.1
93.06479	1.7
93.07046	22.1
95.04956	3.6
95.08611	21.5
97.02898	71.4
97.06533	1.0
97.10225	1.2
98.20699	2.3
99.04459	13.2
99.08076	1.1
101.02374	5.5
103.03935	9.3
105.07042	10.2
107.04974	1.4
107.08580	11.1
109.02884	10.7
109.06533	1.7
109.10160	11.9
111.04460	3.9
113.06049	1.0
114.60359	1.0
115.03944	6.1
117.05533	2.5
117.07048	5.8
117.67314	1.0
119.08596	8.8
119.09384	1.5
121.06538	1.7
121.10153	9.7
123.04478	1.1
123.08067	1.7
123.11740	4.9
127.03929	34.3
127.07528	0.9
129.05490	4.5
129.06917	1.5
131.08578	8.3
133.10130	6.0
135.04474	1.1
135.11694	8.5
137.09573	1.9
143.08603	1.3
145.04967	31.4
145.10106	6.1
147.11681	5.5
149.02448	1.2
149.13251	4.4
157.10152	1.6
159.06552	2.1
159.11618	4.8
161.13287	3.4
163.06030	20.6
163.07402	1.3
163.11263	1.0
163.14804	4.2
169.10202	1.0
171.06596	1.4
171.11736	1.9
173.13297	6.1
173.62169	0.9
175.14781	1.1
183.06508	9.6
185.13293	2.7
187.14861	2.4
189.16327	1.5
199.14838	1.1
201.07640	7.3
201.16406	1.4
203.79665	1.1
211.15152	1.1
215.17944	1.1
228.23381	1.2
243.21069	5.4
259.20590	1.6
260.70621	1.1
261.22214	14.9
301.21289	1.6
303.23187	2.5
315.23383	1.7
317.24780	2.3
327.23102	1.5
335.25806	51.5
341.24661	1.8
351.23126	1.9
353.26880	2.3
363.25235	2.4
369.24329	5.2
377.26816	4.7
387.25229	2.8
389.26962	1.7
394.15851	1.0
405.26389	1.9
419.27890	1.7
443.27914	6.9
461.28851	6.7
479.30051	13.0
497.31046	4.2
776.10278	1.2
792.50049	1.1
822.37042	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75116	0.6
65.03939	1.7
66.69695	0.8
67.05500	1.1
69.03416	3.5
70.06589	6.7
71.18382	1.7
71.18732	1.1
72.08157	2.1
77.03933	0.9
81.03416	2.2
82.19252	0.8
84.08145	2.8
85.02904	5.9
86.09688	4.2
89.03895	1.0
91.05486	25.3
93.07049	8.5
95.04971	6.0
95.08589	0.8
97.02875	2.2
98.97565	0.9
103.05482	7.4
105.04527	0.9
105.07059	1.1
107.04978	1.4
110.07195	1.4
115.05450	1.7
117.03345	1.9
119.04939	13.3
120.08047	1.0
121.06512	60.7
129.10234	1.7
131.04889	1.2
135.04381	1.1
136.05197	2.1
137.05972	4.6
141.03281	3.8
145.02861	4.8
145.04924	1.1
149.05997	1.9
151.03900	1.3
151.07547	42.1
160.05180	1.1
163.03868	1.2
164.07104	4.2
165.09113	1.9
167.07047	2.7
173.05946	1.5
175.07578	0.9
177.05492	9.6
178.05685	1.0
189.07007	1.3
191.07068	4.3
194.08214	1.0
201.05377	93.2
205.06497	2.5
207.08115	4.2
217.06578	1.4
219.08134	1.9
220.05193	3.8
222.06808	1.9
226.04977	1.2
226.32991	0.9
231.06497	9.8
233.05948	2.4
234.06691	2.4
235.07545	19.1
235.09796	1.1
237.05507	1.1
237.09099	6.9
243.06459	1.0
244.06064	6.1
247.07509	2.4
248.04678	2.6
249.05466	3.3
250.06233	3.2
251.06990	1.7
252.07918	1.8
260.04681	9.2
261.05450	1.5
263.04160	1.3
263.07019	25.7
264.07794	2.6
265.05011	2.7
265.08600	20.8
266.09201	1.2
267.06531	1.1
267.10144	2.9
274.07071	0.9
277.05087	0.9
278.05972	1.7
280.07294	10.2
282.08896	20.4
288.04108	1.3
291.06528	17.4
293.08096	5.2
295.09616	3.9
297.11224	12.0
306.05270	3.8
308.06851	3.1
312.09927	2.3
313.10669	3.4
317.06436	1.7
321.07587	29.2
323.09140	100.0
325.10580	1.4
327.08502	2.1
327.12274	1.5
353.10107	6.8
364.11810	8.0
368.11172	0.9
369.09177	1.1
394.12881	28.0
460.17572	13.8
462.19263	0.9
467.28613	0.8
485.14212	3.7
488.17090	27.0
489.17294	1.2
490.18604	16.9
492.20679	1.1
518.18134	46.0
519.18689	1.4
622.22858	11.8
650.22369	41.1
651.22766	1.9
652.23956	10.2
655.26825	5.9
680.23431	19.4
817.29913	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	11.9
67.05499	1.7
68.99776	1.2
69.03435	3.3
70.06594	4.2
71.52150	1.1
72.08126	1.6
74.09162	0.5
78.04697	1.3
79.05493	3.7
81.03423	4.3
81.07046	0.7
82.04186	2.1
84.08142	2.1
85.02906	8.0
85.06586	0.5
86.09714	3.6
87.00810	2.2
89.03902	1.2
91.05486	5.9
93.03413	6.7
93.07040	1.5
95.01321	2.1
95.04953	1.6
97.02884	2.9
99.04435	1.3
103.03937	0.8
103.05441	3.5
105.01859	0.8
105.03398	0.7
105.07026	6.0
106.04131	0.8
107.04948	5.5
108.02070	0.8
109.02869	2.6
109.21805	0.7
110.02920	0.7
110.03670	11.9
111.03712	1.1
111.04436	12.9
115.05450	3.5
117.03345	1.3
117.07021	1.0
118.04153	1.3
119.04955	3.8
119.08562	1.3
120.08100	2.3
121.02827	0.7
121.06517	1.7
122.03633	1.2
123.04424	3.0
124.05195	1.7
125.05988	15.5
127.03907	3.9
127.47719	0.6
128.06186	1.4
129.07004	3.5
129.10207	1.0
130.04083	1.2
131.04932	4.6
131.08617	0.7
132.05684	1.3
133.02898	3.2
133.06523	4.0
135.04398	1.4
137.02246	0.6
137.05968	11.0
138.03116	1.2
141.07004	0.7
143.04964	1.1
144.05672	1.6
145.02841	2.0
145.04962	1.4
145.06441	1.7
146.03607	0.7
146.07259	1.2
147.04384	5.2
147.08051	1.8
149.05966	3.2
151.03918	2.4
151.07559	1.5
152.04649	1.3
153.05469	72.5
156.05739	0.9
159.03020	0.8
159.04411	1.4
159.08052	5.8
160.05132	1.2
161.05975	5.6
162.06773	1.2
163.03880	2.0
163.07527	2.7
165.05479	1.1
165.06972	1.3
167.07047	34.1
169.06450	0.9
171.04486	1.0
172.05212	2.1
173.05981	1.1
175.07545	10.2
176.04709	0.8
177.05467	7.3
178.05963	0.6
178.07672	1.5
179.07127	3.8
179.08475	1.3
179.46892	0.6
180.86098	0.6
181.06424	0.8
184.05228	1.0
185.05940	3.0
186.06781	3.0
187.07555	8.6
189.03880	1.2
189.05452	3.2
189.07011	2.2
190.07780	2.8
191.07014	9.3
191.08569	3.5
192.04214	0.8
193.06601	1.0
194.07385	1.1
195.07938	0.9
198.06779	1.2
199.07547	5.9
201.05476	1.7
201.09036	0.9
202.07838	2.1
203.06975	1.4
203.08574	3.8
204.09149	0.6
205.06558	3.1
205.08389	0.8
206.07216	2.4
207.06500	1.7
207.08095	2.3
208.08809	1.6
214.06186	1.8
215.06981	2.1
215.08817	1.1
216.07817	8.0
217.06482	1.4
217.08380	1.1
218.07216	3.1
219.08069	8.7
220.08862	4.5
221.05977	2.0
221.09616	2.7
222.06746	0.8
223.07555	1.7
229.06601	0.9
229.08638	8.5
230.07263	1.3
231.08073	3.9
232.05402	0.7
232.08733	2.0
233.05934	2.4
233.09796	3.0
234.06778	3.7
235.07509	6.6
236.08319	5.7
237.09154	2.9
243.08067	0.8
245.05908	1.0
246.06767	2.5
247.07484	5.1
248.08360	4.0
249.05399	1.1
249.09152	7.4
250.06245	0.8
250.09840	1.5
251.06900	1.5
251.10706	11.9
253.08598	1.0
253.25665	0.6
257.08011	1.4
258.06934	0.8
259.07483	2.0
260.05157	0.5
260.08234	2.1
261.05542	2.0
261.09204	4.5
262.06223	1.1
262.09982	1.4
263.06897	4.3
263.10626	2.4
264.07806	11.0
265.08575	8.3
266.09375	1.4
267.10278	0.8
273.09152	1.2
274.06189	1.3
275.06885	3.2
276.07822	8.6
277.08557	6.0
278.09402	4.4
279.06964	1.2
279.10095	8.1
280.07086	0.8
280.10837	1.5
281.08008	1.8
281.11746	2.9
288.07791	1.7
289.05411	1.1
289.08395	3.7
290.06134	0.7
290.09369	1.5
291.06616	1.4
291.10117	4.7
292.07269	2.4
292.10696	1.1
293.08038	5.8
293.11639	2.0
294.08881	2.0
295.09650	1.5
296.10471	1.3
304.07196	2.3
305.08038	2.5
306.08841	1.7
307.09647	40.3
308.07016	1.1
308.10291	6.9
309.07941	1.2
309.11221	4.4
309.73126	0.6
311.12802	3.3
319.09662	9.6
319.13132	1.2
320.10382	1.2
321.07632	1.1
321.11203	3.4
322.11966	0.8
323.09299	1.4
323.12711	5.7
324.09784	1.7
325.10803	1.1
325.14423	0.7
336.09845	1.4
336.13712	0.9
337.10757	2.7
337.14368	0.9
339.12274	100.0
340.12750	3.0
341.13873	9.1
351.08731	1.4
351.12286	28.0
352.12738	1.5
353.13724	4.5
369.13364	4.3
379.09674	0.8
489.18896	1.2
499.17511	1.4
501.19061	1.1
516.16681	1.3
815.25848	3.5
815.38678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
61.02934	0.6
65.03613	0.8
65.03947	12.2
67.05501	2.3
68.99773	0.6
69.03431	3.5
70.06598	3.5
71.42911	0.5
71.51691	0.5
72.08162	1.1
73.02915	1.3
75.04462	0.6
76.98260	0.5
78.04718	0.9
79.05499	3.8
80.17535	0.5
81.03425	3.9
81.07048	0.7
82.04198	1.8
84.08140	1.4
85.02917	6.9
86.09673	0.5
87.00845	3.1
89.03940	1.0
91.05486	6.0
93.03411	7.3
93.07016	0.6
94.04233	0.8
95.01346	1.7
95.04961	1.9
97.02883	3.1
98.06155	0.5
99.04486	0.9
102.04723	0.8
103.03928	1.1
103.05468	3.6
105.01894	1.4
105.03362	0.9
105.04502	0.6
105.07037	5.7
106.04196	0.8
107.04971	5.2
108.02060	1.0
108.87988	0.5
109.02881	3.9
110.03674	10.7
110.07179	0.6
111.04451	12.3
115.05447	3.1
116.06285	0.7
117.03409	1.6
117.07069	1.0
118.04175	1.8
119.04953	4.2
119.08623	1.3
121.02892	0.9
121.06513	1.6
122.03662	0.9
123.04449	2.8
124.05220	1.2
125.06008	15.2
127.03907	4.0
128.06218	1.7
129.01726	0.5
129.06995	3.3
130.04126	0.8
131.04933	4.4
132.05710	1.9
133.02867	3.4
133.06529	3.7
134.03809	0.5
135.04427	0.8
136.05247	0.6
137.05988	8.5
138.03131	1.0
141.06989	1.0
143.04941	0.9
144.05753	1.0
145.02876	1.9
145.04974	0.8
145.06473	2.3
146.07225	0.7
147.04399	6.3
147.08070	1.6
148.05170	0.7
149.05923	2.8
151.03896	1.6
151.07559	1.7
152.04710	0.9
153.05481	69.9
155.04951	1.0
156.05711	1.0
159.02902	1.5
159.04430	1.1
159.08073	4.8
160.05238	1.3
161.06012	4.4
162.06757	0.8
163.03914	1.4
163.07538	3.0
165.05487	1.4
165.06956	1.2
167.07059	30.8
169.06511	0.8
171.04413	1.3
172.05225	1.7
173.06119	0.7
175.03845	0.6
175.07542	7.6
176.04701	0.9
177.05496	7.8
178.07791	1.3
179.07048	3.9
179.08441	0.9
181.04945	1.3
181.06483	1.1
184.05194	0.9
185.05997	1.9
186.06735	2.9
187.07549	7.0
189.03909	1.3
189.05513	3.6
189.07019	2.2
189.08981	0.8
190.07791	2.5
191.07048	8.6
191.08604	4.0
193.08609	0.5
194.07355	1.4
195.08125	1.1
197.05956	0.8
198.06760	0.8
199.07501	3.8
201.05463	1.0
202.07819	2.1
203.06987	2.2
203.08630	3.2
205.06628	2.9
205.08299	0.8
206.07169	2.4
207.06520	1.7
207.08209	2.7
208.08833	1.5
209.09668	0.8
214.06282	1.0
215.06862	2.7
215.08830	1.0
216.07806	7.8
217.06544	1.3
217.08507	0.7
218.07297	5.4
219.08069	10.2
220.08836	4.7
221.06088	2.7
221.09697	2.8
223.07608	1.4
223.11255	1.1
224.08325	0.7
229.08629	8.2
231.04970	0.6
231.08138	3.4
232.08881	1.9
233.06038	2.3
233.09937	2.9
234.06784	2.8
235.07558	5.5
236.08342	6.2
237.09143	3.1
238.09969	0.7
239.06975	0.6
245.05968	1.2
246.06725	3.0
247.07526	6.3
247.09622	0.7
248.08357	4.2
249.05551	2.0
249.09148	5.8
250.06290	1.4
250.09741	1.3
251.07091	1.3
251.10693	12.6
253.08658	1.5
257.08078	1.7
258.06836	1.1
259.07571	2.3
260.08340	1.6
261.05533	2.2
261.09088	3.8
262.06253	1.9
262.09766	1.0
263.07028	4.1
263.10754	2.5
264.07834	11.1
265.08636	8.6
266.09180	0.9
267.10190	0.8
268.10843	0.7
269.45233	0.6
273.09000	0.6
274.06299	1.4
275.06967	2.9
276.07843	9.1
277.05554	1.1
277.08615	7.4
278.06638	0.6
278.09351	4.0
279.06970	1.0
279.10147	9.5
280.07538	0.5
280.10840	1.3
281.08075	1.6
281.11789	3.0
283.13342	0.7
287.07285	0.7
288.07773	1.9
289.05399	1.0
289.08609	4.1
290.09415	1.9
291.06985	1.0
291.10251	3.6
292.07297	2.2
292.10809	1.0
293.08130	5.4
293.11652	2.4
294.08826	1.6
295.09637	1.6
296.10492	1.4
304.07397	1.7
305.08044	2.4
306.08856	2.1
307.09656	39.6
308.10397	7.0
309.07959	0.9
309.11185	4.6
311.09418	0.8
311.12628	2.6
319.09683	10.8
320.10400	2.0
321.07834	0.7
321.11154	3.0
322.11948	0.6
323.09265	1.1
323.12817	6.3
324.09979	1.6
324.13611	0.6
325.10748	0.5
325.14352	1.2
336.10184	0.7
337.10672	2.7
337.14551	1.4
339.12292	100.0
340.12726	2.3
341.13806	6.8
351.12283	30.0
352.12744	1.4
353.14017	2.9
369.13367	3.3
379.10373	1.0
489.19110	1.4
499.17459	1.5
652.04535	0.6
815.25793	2.9
848.58350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
57.07074	3.8
60.04514	0.5
67.05505	11.3
69.03423	1.4
69.07068	13.1
69.82629	2.0
70.06593	0.6
71.01369	2.0
71.08631	1.3
73.02920	1.4
77.02416	1.2
77.03899	0.4
79.05487	6.5
81.03430	0.6
81.07056	28.0
82.07383	0.6
83.01331	0.9
83.08622	8.0
84.08157	0.5
85.02907	9.9
89.02425	0.5
91.05472	4.2
93.07047	18.8
93.97605	0.4
95.01315	3.9
95.08607	52.9
96.08968	0.7
97.02889	2.5
97.10168	4.7
103.03948	0.6
104.03469	1.2
105.01907	0.9
105.07030	11.7
107.08595	27.8
108.08929	0.6
109.02855	0.6
109.10158	34.0
110.10490	0.5
111.11745	1.7
113.02383	4.1
117.07036	1.7
119.08582	22.1
121.06496	0.8
121.10140	27.6
122.10506	0.6
123.11713	18.5
125.02376	1.1
125.13219	0.4
127.03915	0.9
129.06985	0.5
131.03377	2.0
131.08575	4.6
133.08633	0.5
133.10133	20.8
135.11694	21.6
137.13249	12.3
137.14250	0.8
139.07541	0.6
141.01826	20.2
143.08556	1.5
145.10115	11.0
147.10507	0.6
147.11691	13.6
149.13257	25.3
151.07555	0.6
151.14841	1.2
153.01892	0.5
153.09102	2.0
155.03360	0.6
157.10135	0.9
159.02902	10.6
159.11685	6.1
160.12465	0.4
161.13254	11.1
163.02406	1.1
163.07549	0.5
163.14827	8.4
165.09091	0.5
167.10782	1.1
171.02921	1.2
171.11717	1.3
173.13269	5.7
175.14832	9.8
177.03961	2.2
177.05368	0.7
177.09140	0.5
177.16370	8.3
179.10625	2.0
179.17937	2.4
183.02930	0.4
185.13278	1.1
187.14815	4.6
189.16383	28.2
190.16722	0.7
191.17944	48.1
192.18318	0.9
193.12381	0.6
193.19580	0.9
199.14824	1.5
201.16379	37.8
202.16782	1.1
203.17960	33.4
204.18333	1.2
205.19513	37.1
206.19879	1.0
207.13782	0.6
207.17490	1.4
213.16411	2.8
215.17958	21.5
216.18391	0.6
217.03398	1.0
217.16142	0.7
217.19519	10.8
219.13873	0.6
219.17502	1.3
219.21043	0.9
221.15424	1.3
227.01907	0.6
227.17918	2.2
229.19524	2.3
231.17471	0.6
231.21048	2.8
233.15375	0.9
235.16931	6.4
241.19447	2.8
243.21078	5.4
245.02852	2.8
245.22688	4.3
247.16936	27.9
248.17336	0.9
249.18541	4.6
255.21106	2.3
257.22568	1.9
259.16931	1.1
261.18481	11.7
263.04034	4.5
269.22617	2.6
273.18542	0.6
275.20016	1.1
281.05121	1.8
283.24268	0.8
287.20062	1.3
289.21597	3.3
301.21671	1.5
303.23010	0.5
315.23077	2.2
321.04468	1.1
325.71799	0.4
329.24643	0.5
339.05670	1.4
343.26379	0.7
355.26175	1.0
356.08130	2.1
369.27850	0.7
393.35181	15.0
394.35495	0.5
411.36176	1.4
421.34894	0.8
424.24701	0.5
439.35715	100.0
440.35971	3.5
441.36179	1.0
535.43359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
57.07089	3.8
61.02923	1.9
61.42075	0.6
65.03934	1.1
65.99757	0.7
67.05248	0.7
67.05515	8.1
69.03423	3.0
69.07071	11.2
70.62722	0.8
70.63056	1.6
73.02905	1.2
74.38110	0.8
79.05499	5.3
81.03410	0.9
81.07064	25.9
83.08629	6.8
85.01765	0.7
85.02909	21.1
91.03969	1.5
91.05483	5.0
93.06482	1.4
93.07053	16.5
95.01340	6.4
95.08617	44.4
97.02901	5.6
97.10171	5.5
99.04411	1.1
103.03950	0.9
105.07045	10.7
107.07880	1.3
107.08607	25.5
109.02876	1.9
109.10168	30.4
111.11704	1.7
113.02344	1.2
119.08594	21.3
121.10154	27.6
123.11718	16.3
127.03925	6.8
130.11887	0.8
131.08553	3.8
133.10155	17.0
135.10701	1.3
135.11711	22.3
137.13258	10.8
139.07562	0.7
141.01834	24.1
145.04977	20.9
145.10126	8.0
147.11696	12.8
149.13280	24.8
151.14838	1.5
153.09073	1.6
157.10132	1.1
158.93732	0.7
159.02892	5.9
159.11685	4.4
161.13292	8.6
163.06017	10.9
163.14856	7.4
171.11597	1.2
173.13272	4.2
175.14848	9.3
177.03967	1.5
177.09148	0.9
177.16408	6.8
179.10664	1.6
179.17955	1.7
187.14766	3.6
189.16406	27.1
191.10730	1.0
191.17964	43.3
192.18222	1.0
199.14862	1.9
200.17281	0.7
201.16402	35.2
203.17975	38.5
204.18275	0.7
205.19543	28.3
205.21490	1.5
207.17422	1.0
213.16418	2.7
215.17995	12.5
217.19525	8.1
219.17471	1.2
221.15349	1.3
223.16869	0.8
227.17964	1.3
229.19646	2.1
231.21088	2.5
233.09180	0.7
233.15482	1.0
235.16925	5.6
241.19563	2.3
243.21074	5.2
245.22694	3.1
247.16957	22.3
249.18549	3.8
255.20935	1.8
257.22739	2.0
261.18451	7.1
269.22592	1.4
273.18558	1.0
287.20148	0.8
289.21637	2.2
301.21570	1.5
315.23230	1.7
321.08197	7.0
375.08292	0.8
393.35202	11.9
411.36234	1.3
421.34961	1.1
439.35757	100.0
440.36139	2.0
812.45166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	4.3
67.05508	14.0
69.03419	3.2
69.07072	15.0
71.51596	2.1
79.05504	7.2
81.06591	2.6
81.07063	44.7
82.07404	1.4
83.08618	10.7
88.72499	1.3
91.05463	6.7
93.07055	18.9
95.08613	67.7
97.10176	5.7
105.07032	13.4
107.08600	29.4
109.10163	43.5
109.10710	0.9
111.11724	1.3
117.07007	1.5
119.08593	26.0
121.10148	33.5
123.11707	30.2
131.08598	6.4
133.10132	17.7
135.11705	19.5
137.13275	25.9
145.10146	12.7
147.11710	13.1
147.40146	1.4
149.13254	22.6
151.14856	2.0
153.09134	2.9
155.07040	1.8
157.10118	1.7
159.11697	5.3
161.13246	10.4
163.14856	7.5
171.11708	3.4
173.13277	8.9
175.14841	10.7
177.08945	1.2
177.16388	11.1
179.17924	10.6
185.13300	1.4
187.14851	5.8
189.16391	29.1
191.17963	42.9
199.14772	3.0
201.16388	32.1
203.17982	37.9
205.19533	30.4
213.16371	8.1
215.17966	34.9
217.19604	9.3
227.17882	1.2
231.17393	2.1
231.21161	3.1
235.16954	7.7
241.19522	2.9
243.21082	5.9
245.22639	3.9
247.16931	22.7
249.18584	4.6
255.21161	2.8
257.22644	2.3
259.16940	8.1
261.18478	20.2
269.22699	3.0
287.20001	2.2
289.21603	3.4
301.21628	3.0
315.23181	2.6
393.30777	1.5
393.35242	17.7
403.69556	1.7
410.34998	1.7
421.34396	1.6
439.35739	100.0
440.36047	2.8
810.40741	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	810.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.1
65.03941	0.8
67.05506	11.7
69.07073	14.1
71.08622	0.8
71.38151	0.9
77.03911	0.4
79.05492	6.8
81.07062	31.8
83.08620	9.2
85.02907	1.0
91.05479	6.1
91.81049	0.4
92.23949	0.4
93.07047	17.6
94.90456	0.5
95.04941	0.7
95.08614	59.5
96.08965	0.5
97.10178	5.7
105.07036	12.5
107.08600	32.9
109.10163	35.4
110.10545	0.5
111.08086	0.5
111.11710	2.1
117.07025	1.1
119.07703	0.7
119.08588	24.1
121.10153	34.3
123.11713	21.5
129.06999	0.8
131.08583	6.2
133.09119	1.1
133.10136	20.6
135.11696	26.5
137.13264	14.5
139.07564	0.6
141.01804	0.7
143.08543	1.1
145.10130	11.1
147.11702	13.9
149.13263	28.2
151.14832	1.5
153.09102	2.6
157.10162	1.3
159.11703	7.5
160.12331	0.6
161.13268	10.0
163.14816	7.5
165.16461	0.5
167.10783	0.6
169.42348	0.4
171.11707	1.7
173.09668	0.6
173.13300	7.4
175.14841	8.3
177.09143	0.7
177.16396	10.5
177.17865	0.9
179.10684	1.7
179.17998	3.0
185.13304	1.1
186.14000	0.9
187.14848	4.9
189.16388	31.7
190.16647	0.6
191.10684	0.8
191.17963	52.2
191.45851	0.6
192.18375	0.5
192.70453	0.4
193.19652	1.1
199.14828	2.3
201.16396	44.6
202.16719	0.5
203.17969	35.4
204.18346	0.7
205.19534	48.6
206.19789	0.6
207.13730	0.6
207.17467	1.3
208.26852	0.5
213.16327	3.9
215.02103	0.5
215.17969	23.4
216.18250	0.6
217.19537	11.5
219.13879	0.5
219.17451	1.3
219.21120	1.4
221.15411	1.8
227.17973	2.3
229.19583	1.9
231.17493	0.7
231.21043	3.3
235.16904	7.5
237.02142	0.5
241.19501	4.0
243.21059	7.0
245.22656	4.8
247.16948	31.9
249.18466	5.5
255.21133	3.3
257.22681	2.7
259.16962	1.6
261.18521	14.6
269.22653	3.3
271.24304	0.6
273.18530	1.1
275.20059	1.4
283.24213	0.6
287.20099	1.5
289.21600	4.8
297.25937	0.9
301.21591	2.3
303.23175	0.6
309.25726	0.5
315.23221	4.0
329.24905	0.6
341.24692	0.8
343.26199	0.9
355.26434	0.7
369.27777	0.9
372.07532	1.1
393.29999	0.8
393.35162	17.0
410.34958	1.1
411.36234	0.6
421.34402	2.2
437.34195	0.6
438.34863	0.7
439.35745	100.0
440.35858	2.2
456.35516	0.6
605.06030	0.5
783.64893	0.5
810.41718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	4.2
58.56163	0.5
63.04303	0.4
63.95792	0.3
65.03932	0.5
67.05505	12.7
69.03454	0.4
69.07070	13.8
69.37512	0.8
69.37908	3.2
70.06557	0.4
71.08631	1.5
77.02417	0.4
77.03947	0.7
79.05495	7.8
81.07059	36.2
83.08617	8.3
84.08113	0.4
85.02903	1.3
91.05479	6.1
93.07046	19.8
95.04999	0.5
95.08609	61.5
97.02905	0.4
97.10174	5.6
105.06318	0.5
105.07034	13.8
107.08594	33.0
109.10158	37.3
111.08062	0.5
111.11738	1.6
113.02375	1.5
117.07032	1.4
119.08585	23.7
120.08910	0.5
121.10146	32.3
123.11708	23.7
125.13238	0.6
129.07047	0.6
131.08554	5.2
133.09114	1.0
133.10135	19.8
135.11691	24.6
137.06023	0.5
137.13257	19.2
139.07510	0.6
141.01839	1.5
143.08549	0.8
145.10123	10.5
146.10667	0.4
147.11697	15.0
149.13260	26.6
151.07567	0.6
151.14833	1.4
153.09122	2.2
157.10085	1.3
159.02951	0.8
159.11685	6.0
160.12495	0.5
161.09660	0.4
161.13258	10.2
163.07547	0.5
163.14835	9.1
165.09203	0.4
167.06966	0.5
167.10683	0.8
169.10156	0.4
171.11681	1.5
172.12408	0.4
173.13251	6.7
175.14819	8.5
177.09068	0.8
177.16388	10.8
179.10689	1.7
179.14346	0.5
179.17940	3.9
181.18855	0.4
185.13269	1.4
187.14803	5.7
189.16385	32.4
190.16667	0.5
191.17950	59.5
193.12227	0.9
193.19551	1.1
199.14796	1.6
201.16388	38.8
202.16824	0.6
203.17960	42.0
204.18269	0.5
205.19516	42.4
206.19907	0.7
207.13834	0.9
207.17426	1.1
213.16400	4.6
215.17960	25.1
216.18269	0.5
217.16014	0.7
217.19507	11.4
219.13939	0.5
219.17456	1.1
219.21080	0.9
221.15411	1.8
221.19026	1.0
223.16946	0.9
225.16354	0.4
227.17949	1.7
229.19461	2.4
231.17467	1.0
231.21082	3.8
233.15282	1.2
235.16924	8.4
241.19548	2.9
243.21089	6.3
245.22612	4.6
247.16931	28.5
249.18495	7.4
253.19539	0.4
255.21138	3.1
257.22690	2.6
259.16983	2.4
261.18481	16.6
269.22644	3.0
271.24203	0.4
273.18478	0.7
275.19998	1.5
283.24216	0.8
287.20148	1.0
289.21594	4.1
301.21597	1.8
303.23114	1.3
309.25742	0.9
315.23239	3.1
323.27518	0.5
329.24619	0.7
337.42166	0.5
343.26300	0.8
351.30484	1.0
355.26373	0.9
372.07846	0.9
393.35165	15.1
408.66733	0.5
411.36230	0.7
421.34680	1.5
439.35721	100.0
440.36133	2.8
810.42462	2.3
828.10358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
61.02917	0.6
62.59011	0.3
63.04103	0.2
65.03944	4.1
66.04717	0.3
67.05508	1.6
69.03430	4.0
69.18092	2.0
70.06596	1.5
71.04966	0.4
72.08136	0.7
73.02905	0.3
74.06058	0.3
75.04465	0.4
78.04344	0.3
78.04722	3.2
79.05505	2.0
81.03432	1.9
81.07012	0.4
82.04189	1.2
84.04507	0.4
84.08121	1.0
85.02449	0.4
85.02914	6.3
86.09698	0.4
87.04469	0.5
89.03915	0.4
91.05487	4.1
93.03397	1.2
93.07034	1.0
94.04211	0.4
95.04974	2.6
96.05736	0.4
97.02906	1.8
97.06546	1.4
98.21502	0.7
99.04465	0.7
102.04681	0.4
103.05468	3.7
105.03391	0.5
105.07023	1.4
106.04200	1.8
107.04968	5.8
108.02090	0.4
109.02856	0.4
110.03658	1.9
111.04443	0.6
115.05465	7.0
117.03358	0.5
117.07019	8.3
119.04932	1.0
119.08562	0.6
121.02837	0.4
121.05769	0.4
121.06519	3.3
122.03664	0.3
123.00804	0.5
123.03582	0.5
123.04441	8.2
124.05201	2.5
125.06017	1.8
127.03930	0.5
127.05418	1.2
128.06212	0.5
129.06992	0.4
129.10204	0.3
130.04150	0.7
131.04944	2.8
132.05725	0.5
133.02870	0.5
133.06490	0.9
134.03619	0.8
135.04437	1.2
136.07520	0.3
137.02359	0.3
137.06003	3.0
138.03111	0.8
138.05554	0.3
140.04694	0.6
142.02608	1.9
143.04921	1.1
144.05705	0.7
145.02835	0.7
145.06496	12.6
147.04451	0.7
147.08060	1.4
148.05164	0.9
149.05972	2.9
151.03908	1.7
151.07579	1.3
152.04692	2.8
153.05493	1.6
153.06650	0.3
155.04912	0.4
155.06033	5.8
155.07001	0.3
157.06494	0.3
159.04416	1.0
160.05205	1.1
161.05995	2.1
162.06760	0.4
162.47330	0.3
163.03888	1.6
163.07574	0.8
165.05533	1.7
167.07050	100.0
168.07379	1.0
171.04333	0.4
171.06602	2.1
172.05174	0.5
173.05998	22.5
174.06766	0.8
175.07559	2.8
175.51369	0.3
176.04683	1.1
177.05496	4.5
179.07042	1.0
181.04965	69.2
182.05302	0.6
183.04427	0.3
183.06560	0.3
185.06061	0.3
187.07462	0.3
188.04655	0.6
189.05501	0.5
190.06262	0.6
191.07025	3.6
193.04987	0.4
193.08612	1.0
195.06564	1.2
201.05461	3.5
201.07155	0.3
202.06274	0.4
203.07056	5.0
205.06764	0.4
205.08612	6.4
207.06508	0.9
207.08217	0.3
207.10059	0.6
209.08061	3.8
213.05531	0.5
217.08531	1.6
218.05609	0.4
219.06505	3.0
219.08206	0.4
220.07155	0.4
221.06120	0.4
221.07967	1.3
222.06729	0.8
231.06534	1.0
233.05963	0.6
233.08075	9.3
234.06746	0.6
234.08875	3.6
235.07552	0.8
235.09656	5.6
235.11874	0.5
236.08356	0.4
237.09103	0.8
245.08034	0.3
247.07545	0.5
247.09868	0.3
249.05391	0.5
249.07494	0.5
250.06371	0.9
251.07063	0.8
252.07790	0.4
263.06937	0.6
263.09396	0.4
264.07782	0.8
265.08618	1.9
266.09424	0.3
267.06561	0.7
267.10056	0.4
269.08032	0.4
271.09970	0.4
278.05984	0.4
279.06357	0.4
281.07953	0.6
282.08881	0.8
283.09653	0.9
285.11285	0.3
291.06430	0.3
292.07556	0.5
293.07986	1.9
294.09055	0.6
295.06042	0.8
295.09555	0.4
297.11227	2.0
298.11810	0.3
307.09821	0.4
309.07828	0.6
310.08371	2.0
311.09106	0.8
314.07706	0.4
314.11362	0.5
323.09326	0.5
324.09842	0.5
325.10785	3.0
326.11487	1.0
327.08679	0.7
327.12241	0.3
329.13913	0.9
337.10815	0.6
338.07938	0.5
339.12308	0.3
339.62711	0.3
341.10257	0.4
342.11087	1.0
345.13269	0.7
353.10269	1.1
355.12027	0.8
357.13354	7.8
365.10150	0.8
367.11996	0.8
370.10327	0.6
371.14987	0.4
372.12311	0.3
383.10983	0.3
385.12842	22.9
386.13419	0.9
387.14288	4.1
397.12836	5.5
398.13348	0.3
399.14642	1.4
403.13922	4.2
415.13916	8.9
416.14648	4.4
417.15445	8.7
433.14783	0.4
457.47928	0.3
457.54663	0.3
462.19229	1.4
559.17883	0.5
577.19659	1.9
595.21570	0.9
625.23395	0.9
643.23877	53.5
644.24213	2.6
805.29181	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	805.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69798	0.2
57.03415	0.9
61.02901	0.9
65.03942	3.8
66.04690	0.3
67.05501	1.7
68.99789	0.4
69.03436	3.8
69.52520	1.6
70.06601	3.1
71.04964	0.4
72.08142	0.9
73.02907	0.7
77.03915	0.5
78.04714	3.4
79.05504	2.3
81.03432	1.6
81.07037	0.6
82.00558	0.5
82.04198	1.3
83.04973	0.3
84.04469	0.4
84.08134	1.6
85.02908	7.6
86.09681	0.8
88.99335	0.2
89.03930	0.4
91.05481	5.2
93.03395	1.6
93.07050	1.6
94.04201	0.3
94.52733	0.3
95.04985	2.3
96.05735	0.6
97.02891	2.5
97.06536	1.4
99.04428	0.5
103.05477	4.7
105.03377	0.3
105.04497	0.5
105.07013	1.2
106.04168	2.0
107.04957	5.9
108.02074	0.7
109.02855	0.7
109.06541	0.6
110.03692	2.1
110.07171	0.3
111.04424	1.3
115.05459	7.0
117.03378	0.5
117.06244	0.5
117.07027	8.2
118.04143	0.5
119.04961	1.4
119.08558	0.7
120.08101	0.4
121.02908	0.3
121.05675	0.4
121.06514	7.4
122.03633	0.6
123.00749	0.4
123.04438	7.9
124.05229	2.8
125.06026	2.0
127.03913	1.1
127.05439	1.5
128.06253	0.3
129.06952	0.4
129.10258	0.6
130.04102	0.8
131.04938	3.0
131.05861	0.4
132.05652	0.8
133.02852	0.4
133.06480	0.9
134.03633	1.1
135.04402	1.1
137.05981	4.8
138.03140	1.3
140.04674	1.0
142.02641	1.8
142.51559	0.3
143.04915	1.2
144.05667	0.6
145.02838	1.0
145.06494	13.8
147.04395	1.0
147.08023	1.6
148.05180	0.8
149.05988	3.7
151.03891	1.8
151.07542	1.2
152.04689	2.3
152.07076	0.5
153.05464	2.0
153.09100	0.3
155.04951	0.5
155.06021	5.2
155.07036	0.5
157.06468	0.4
159.04414	1.0
159.07942	0.3
160.05205	1.1
161.06018	1.9
163.03952	1.8
163.07518	0.8
165.05495	1.3
165.06842	0.5
167.07043	100.0
168.07385	0.9
170.03592	0.3
171.04367	0.6
171.06535	2.1
173.05989	22.4
174.06720	0.7
175.03862	0.4
175.07539	3.8
176.04637	0.8
177.05493	5.8
177.06807	0.2
178.06226	0.5
178.07736	0.3
179.07088	1.3
179.08449	0.3
180.07799	0.3
181.04964	74.7
182.05347	0.7
183.06459	0.6
187.07506	0.3
188.04655	0.9
189.05484	1.5
189.09096	0.5
190.06233	0.8
191.07033	3.8
191.08554	0.5
192.07971	0.3
193.04900	0.4
193.08644	1.5
194.05687	0.4
194.07349	0.8
195.06549	1.3
197.08083	0.3
201.05466	4.0
203.07037	5.6
204.07660	0.3
205.04805	0.3
205.06627	0.6
205.08585	6.3
205.10349	0.5
207.06512	1.1
207.08266	0.6
207.10190	0.6
209.08076	4.1
209.09917	0.3
211.07608	0.4
213.05496	0.4
217.08583	0.9
218.05620	0.4
219.06451	2.5
219.08276	0.4
219.10007	0.3
221.06152	0.5
221.08125	1.6
222.06796	0.6
223.07626	0.4
227.09103	0.3
231.06424	1.6
233.06055	0.5
233.08078	9.5
234.06741	0.6
234.08904	2.9
235.07564	1.0
235.09651	7.0
237.09077	1.2
239.07043	0.9
245.08037	0.6
247.07539	0.5
249.07590	0.3
250.06276	1.3
251.07033	0.7
253.08685	0.3
254.09323	0.6
263.06979	0.7
263.09372	0.4
264.07788	0.7
265.08566	2.2
267.06601	1.0
267.10281	0.9
269.11798	0.3
271.09787	0.6
272.12885	1.1
276.07617	0.3
277.08664	0.5
278.05786	0.6
279.06305	0.5
279.10477	0.3
280.07281	0.3
281.07996	0.6
282.08881	1.2
283.09735	0.8
292.07254	0.9
293.08090	2.4
294.08902	0.8
295.06006	0.3
295.09613	0.7
296.10294	0.3
297.11154	2.6
298.11865	0.3
299.09171	0.7
299.12619	0.3
302.07327	0.3
307.09662	0.3
308.10452	0.3
309.07697	0.6
310.08344	2.7
311.09116	0.8
313.10767	0.7
314.11282	0.4
321.07205	0.5
322.08328	0.5
323.09213	0.6
324.09775	0.4
325.10730	3.7
326.11438	1.1
327.08649	1.2
327.12241	0.5
329.13895	1.0
337.10886	0.7
338.07928	0.4
339.12354	0.4
340.08972	0.3
342.10983	1.2
353.10153	1.5
354.13495	0.4
355.11795	0.9
356.12387	0.3
357.13342	9.5
357.17563	0.5
365.10117	0.6
367.11826	0.9
369.13290	0.6
370.10474	0.5
371.10822	0.4
371.15146	0.5
372.12411	0.3
383.11407	0.3
385.12823	29.7
386.13419	1.3
387.14398	4.2
397.12839	5.5
398.13562	0.4
399.14471	1.1
403.13916	3.9
415.13913	7.3
416.14627	3.7
417.15460	9.7
417.21082	0.5
429.15436	0.3
462.19092	4.6
463.19989	0.3
473.14157	0.3
488.17310	1.2
535.01617	0.3
559.19061	0.4
577.19714	1.5
595.21277	1.3
625.23254	1.1
643.23883	53.3
644.24146	1.8
805.29150	13.7
806.29047	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61701	0.3
69.36908	2.4
69.65012	0.3
82.34676	0.3
88.02161	0.3
88.15479	0.3
90.66360	0.4
104.00716	0.4
109.49467	0.3
113.52016	0.3
119.58368	0.3
143.83888	0.3
222.14651	0.3
228.62674	0.3
347.03763	37.5
348.04324	0.5
381.33459	0.3
495.32410	0.7
566.47791	0.4
803.39777	100.0
804.40369	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	805.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.6
61.02914	0.7
65.03947	3.8
67.05513	2.2
69.03436	3.6
70.06586	2.5
71.05005	0.4
71.52160	0.4
72.08141	1.1
73.02908	0.6
77.03924	0.6
78.04708	3.4
79.05482	2.0
80.25196	0.3
81.03433	1.4
81.07029	0.4
82.04178	1.5
84.04485	1.1
84.08130	1.1
85.02439	0.5
85.02911	6.9
86.09684	1.2
87.04436	0.6
89.03883	0.5
91.05489	4.4
93.03387	1.3
93.07056	1.6
94.04215	0.4
95.04976	3.0
96.05759	0.4
97.02913	2.7
97.06552	1.8
99.04447	0.9
103.05474	4.1
105.03381	0.8
105.07022	1.1
106.04188	2.1
107.04963	5.2
107.08607	0.3
108.02058	0.4
109.02865	1.1
110.03669	2.3
110.07166	0.9
111.04443	0.7
115.05450	6.4
115.56953	0.3
117.03353	0.5
117.06231	0.6
117.07022	9.0
119.04956	0.8
119.08556	0.5
121.02847	0.3
121.06509	5.3
122.03690	0.7
123.00822	0.4
123.04436	9.2
124.05227	2.8
125.05972	1.8
127.03897	1.1
127.05442	1.3
127.08628	0.3
129.06938	0.6
129.10208	1.2
130.04057	0.4
131.04933	3.3
132.05746	0.4
133.02844	0.8
133.06476	1.4
134.03555	0.5
135.04402	1.2
137.02321	0.3
137.05995	4.0
138.03102	1.1
139.03915	0.5
140.04727	0.6
142.02632	1.6
143.04895	1.0
144.05658	0.7
145.02826	1.4
145.06487	12.0
147.04396	1.2
147.08060	1.3
148.05162	0.6
149.05971	4.1
151.03912	2.2
151.07530	1.2
152.04703	2.1
153.05402	1.6
154.06314	0.5
155.04877	0.7
155.06041	5.7
155.07086	0.4
157.06500	0.4
159.04407	1.2
160.05202	1.3
161.05994	2.2
163.03912	3.2
163.07533	0.9
164.04262	0.3
164.07031	0.4
165.05489	1.3
167.07043	100.0
168.04178	0.4
168.07355	1.0
171.04422	0.5
171.06554	2.1
172.05257	0.5
173.05994	22.2
174.06676	0.4
175.03897	0.6
175.07500	2.7
176.04669	0.6
177.05495	5.7
177.09114	0.3
178.06175	0.6
179.06982	0.8
181.04962	73.8
182.05309	0.7
183.06519	0.4
187.07494	0.8
188.04726	0.7
189.05470	1.1
190.06276	0.9
191.07011	3.0
191.08473	0.5
193.08580	1.3
195.06514	1.5
200.04578	0.4
201.05455	3.3
203.07016	4.1
205.06612	0.8
205.08583	7.2
205.10347	0.6
206.07332	0.4
207.06541	0.9
207.08237	0.5
207.09937	0.5
209.08054	3.4
213.05501	0.6
216.04079	0.5
217.08591	0.8
219.06432	3.0
219.08273	0.4
219.10045	0.4
220.07297	0.4
221.06114	0.5
221.08092	1.7
222.06793	0.5
223.07671	0.3
231.06506	1.4
233.05989	0.7
233.08066	8.2
234.08865	2.3
235.07562	0.7
235.09660	7.0
236.08217	0.4
237.09167	1.2
239.07130	0.4
241.19330	0.3
247.07593	0.7
249.07587	0.4
250.06207	1.1
251.07036	1.0
253.08636	0.6
263.07108	1.0
264.07785	0.6
265.04977	0.3
265.08539	1.8
266.09198	0.5
267.06589	0.9
267.10065	0.6
271.09604	0.5
272.12769	0.5
276.07559	0.3
277.08560	0.5
278.05984	0.5
279.06476	0.4
281.08029	0.7
282.08893	1.1
283.09695	1.0
292.07193	0.7
293.08121	1.9
294.08716	1.0
295.06137	0.6
295.09625	0.5
296.06778	0.3
297.11234	1.8
299.09109	0.7
307.09576	0.4
308.07001	0.4
309.07544	0.4
310.08310	1.9
311.09265	0.8
313.10736	0.6
321.07626	0.4
323.09085	1.0
324.09756	0.6
325.10669	2.9
326.11560	1.4
327.08701	0.7
327.12405	0.7
329.13867	0.9
337.10757	0.7
339.12439	0.4
341.10278	0.5
342.11115	1.2
343.11584	0.4
353.10263	1.2
354.10703	0.6
355.11902	0.6
357.13339	9.5
357.17606	0.6
363.72260	0.4
365.10040	0.8
367.11929	1.0
369.13403	0.6
370.10370	0.7
371.15234	0.4
383.10995	0.4
385.12823	28.6
386.13446	1.8
387.14417	4.4
397.12842	5.1
398.13620	0.4
399.14441	0.9
403.13913	3.2
415.13840	6.8
416.14578	3.7
417.15485	13.4
461.17947	0.4
462.19162	2.2
488.16782	0.5
559.18201	0.6
577.19287	1.5
579.20978	1.2
595.21631	1.5
624.24292	0.4
625.23071	0.6
643.23865	53.6
644.24292	1.9
650.21332	0.5
693.01605	0.4
694.15955	0.3
805.29126	13.1
806.29236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	3.3
57.07063	2.7
67.05513	6.0
69.03419	1.8
69.07072	8.7
70.06577	1.1
71.08640	0.8
71.51199	0.9
73.02919	6.4
79.05505	3.8
81.07064	17.3
83.08611	4.3
84.04475	1.1
85.02887	3.3
86.09717	1.1
91.05476	3.9
93.07050	8.8
95.01315	1.2
95.08613	31.9
97.02894	4.7
97.10160	2.6
105.07027	10.7
107.08593	16.0
109.09475	1.3
109.10162	15.2
111.11704	0.9
115.03945	4.2
117.07020	2.1
119.08589	80.0
121.06539	1.4
121.10156	13.1
123.08111	1.0
123.11711	10.4
129.06995	1.2
131.08565	8.2
133.04987	1.8
133.10139	15.9
135.11700	13.0
137.13274	13.5
141.01814	6.4
143.08542	3.1
145.02849	1.0
145.10132	12.4
147.11696	9.8
149.13269	9.0
151.07587	1.0
151.14813	1.3
157.10144	3.1
159.02922	1.9
159.11696	7.6
161.13257	9.5
163.07541	2.2
163.14850	5.7
169.10133	1.5
171.11702	3.7
173.13264	7.3
175.07599	0.9
175.14815	7.6
177.09132	1.0
177.16379	3.8
179.10680	1.2
179.14195	1.2
185.13251	1.8
187.14838	21.7
189.09109	1.0
189.16391	18.6
191.17960	28.4
197.13231	1.2
197.73524	0.8
199.14764	4.2
201.16380	21.6
203.17986	18.6
205.12189	1.0
205.19539	3.0
213.12857	1.2
213.16377	5.4
215.17990	4.4
217.12091	1.2
217.19597	3.6
219.13832	1.0
219.17514	1.7
219.21091	4.0
221.15398	1.0
225.16319	1.3
227.17940	2.4
229.15790	1.5
229.19542	2.1
231.13792	5.7
231.17488	1.8
233.15369	8.5
239.17953	2.3
241.19516	3.8
243.13620	1.3
243.21077	1.1
245.15401	1.7
247.16949	12.4
253.19453	2.0
255.21066	1.8
257.15427	0.9
259.16971	1.3
261.18430	1.1
273.05994	0.8
273.18759	0.9
285.18390	2.2
287.20007	1.6
291.06992	0.9
299.19998	1.3
336.53458	0.8
353.24576	0.9
366.34998	0.7
391.33609	6.1
393.35208	2.8
409.34799	0.9
419.33023	1.1
437.34195	100.0
438.34509	2.7
455.35150	14.7
457.78174	0.9
459.40765	0.8
633.16388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	1.1
57.03409	1.3
59.34378	0.9
59.75284	0.8
65.03935	5.1
67.05496	1.9
69.03423	3.3
69.07073	1.5
69.91213	4.6
70.06593	9.8
71.04964	1.2
72.08157	3.2
74.06090	1.1
76.51653	1.0
78.04694	1.4
79.05492	4.8
81.03406	3.0
84.04510	1.8
84.08135	4.2
85.02913	6.5
86.09705	3.6
89.03922	1.4
91.05491	9.3
93.03389	1.2
93.07021	1.6
95.04990	5.3
97.02878	1.3
97.06569	1.9
98.20826	1.0
103.04011	1.0
103.05473	19.7
105.03394	1.8
105.07047	10.1
106.04183	2.2
107.04958	10.6
107.08577	1.3
108.02064	1.2
109.06522	2.1
110.03646	2.0
110.07149	1.8
111.04449	2.7
115.04821	0.8
115.05472	6.2
117.03391	3.2
117.07028	5.2
118.04202	4.3
119.04944	7.6
120.08097	1.9
121.06508	4.0
122.03645	1.9
122.07848	0.9
122.80860	1.1
123.04433	6.9
124.05216	1.9
125.05993	4.0
127.03912	1.9
129.07007	2.4
129.10237	2.1
130.04149	1.7
131.04944	22.1
131.05933	1.0
131.08606	1.3
132.05627	1.3
133.02872	4.7
133.06479	7.8
135.04428	2.9
135.08054	1.7
136.07593	2.0
137.05983	15.3
137.06984	1.9
139.07541	1.0
141.06970	1.1
142.02615	2.0
143.04933	1.7
143.06044	0.9
144.05678	2.4
145.02867	6.4
145.06470	7.4
146.03607	1.0
147.04434	6.6
147.08017	2.5
148.05205	9.1
149.05980	5.5
151.03883	3.7
151.07545	3.8
152.04660	1.5
153.05486	5.2
155.05968	1.9
155.07091	2.1
156.05641	1.0
157.06371	1.6
159.08043	2.3
160.05211	2.1
161.06009	14.2
162.06609	1.3
163.03943	2.8
163.07541	20.7
165.05457	3.5
165.09261	1.0
167.07045	73.6
168.07341	2.5
171.06606	2.1
173.06023	9.8
174.06749	1.4
175.03928	1.4
175.07538	5.8
176.04739	2.5
177.05493	15.3
179.07057	6.2
181.04967	82.6
183.06563	1.6
187.07504	4.3
189.05513	1.5
189.09097	1.4
190.06277	1.8
191.07037	100.0
192.07593	1.2
193.04970	2.1
193.08572	4.6
195.06526	4.4
201.05495	3.0
203.07079	5.2
205.08606	8.3
207.06464	2.3
207.08200	1.3
207.10226	1.9
209.06369	1.1
209.08051	5.1
211.07542	0.9
217.08601	4.2
219.06416	2.0
219.08223	1.2
219.10057	7.4
221.07964	1.1
223.07349	1.0
225.07599	2.1
229.08632	1.1
231.06554	1.4
233.08098	8.0
235.07520	2.8
235.09631	6.5
237.09129	1.3
245.08131	3.0
247.07579	1.4
249.09119	1.1
251.09090	1.9
252.07733	1.3
253.08507	1.2
254.09248	1.0
263.09180	37.2
264.07874	1.8
267.10190	3.2
269.08246	1.0
277.08417	1.6
279.10178	1.2
280.07074	1.0
281.08005	1.0
295.09616	1.1
297.11191	3.7
307.09540	2.5
309.11185	1.0
325.10687	4.9
327.12347	2.2
329.13864	1.9
337.10678	4.0
339.12296	3.6
341.13861	3.1
342.14038	1.5
353.09869	1.5
353.13843	1.5
355.11649	2.0
357.13297	10.9
367.11829	2.6
369.13342	4.0
371.14813	1.7
381.13306	1.1
385.12885	17.5
387.14313	3.8
389.16046	1.5
399.14465	8.1
413.15826	1.8
414.24979	1.1
417.15451	47.4
520.19879	1.8
520.28406	0.9
528.32336	1.0
547.19727	2.0
548.19092	2.7
579.21405	1.0
724.60461	1.0
790.60547	1.1
794.38153	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
57.07060	0.3
61.02930	6.3
65.03963	0.3
67.05507	6.9
69.03437	3.6
69.07069	1.5
71.01358	0.5
71.04984	0.5
71.34608	0.4
73.02924	4.7
79.05495	3.8
81.03426	1.7
81.07062	5.8
81.07536	0.5
83.08627	0.5
85.02911	5.7
91.03966	3.8
91.05489	2.4
93.07050	5.2
95.04964	0.3
95.08617	4.4
95.09187	0.5
96.22118	0.3
97.02898	4.6
97.06548	0.5
99.04465	0.9
101.02384	2.5
103.03974	0.6
105.07044	1.5
107.08595	2.5
109.02946	0.5
109.10158	2.4
115.03907	0.5
117.07074	0.6
119.08620	0.8
121.10145	2.0
123.11688	0.4
127.03947	1.6
131.08598	0.7
133.10162	0.9
135.05598	0.2
135.11702	0.9
145.05032	0.3
145.10176	0.6
147.11772	0.5
149.13303	0.5
159.11699	0.4
161.13220	0.4
173.13307	0.4
184.07365	0.3
185.04201	0.6
203.05354	0.4
243.08392	1.7
250.08437	0.3
253.89304	0.2
256.00876	0.3
335.25858	1.0
519.29346	11.4
520.29761	0.4
707.66333	0.3
797.51764	100.0
798.52319	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	794.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.7
65.03947	4.6
67.05502	2.1
68.99809	0.6
69.03432	2.5
69.07088	0.7
70.06589	3.4
71.04981	0.7
71.06957	0.8
71.51448	0.7
72.08170	1.5
75.04487	1.3
78.04736	1.1
79.05506	5.3
81.03416	2.7
81.07059	1.2
82.00600	0.6
82.04220	1.6
84.04526	0.8
84.08155	1.4
85.02911	5.7
86.09721	1.7
89.03947	1.1
91.05486	8.8
93.03425	2.2
93.07077	1.0
95.04967	4.6
97.02895	1.4
97.06561	2.4
101.05996	0.7
102.04696	0.8
103.05474	21.9
105.03385	2.9
105.04524	1.0
105.07033	9.0
106.04172	0.7
106.79557	0.5
107.04963	10.0
107.69152	0.5
108.02120	0.9
109.02892	0.6
109.06529	1.5
110.03682	2.4
110.07183	0.6
111.04475	1.9
115.05460	7.6
117.03399	2.1
117.07035	6.2
118.04177	4.3
118.08598	0.5
119.04964	7.6
119.08636	1.2
120.05706	0.8
120.08056	1.2
121.06496	2.8
122.03657	1.5
123.04437	5.9
124.05174	2.4
125.05981	4.0
127.03927	0.9
128.06186	0.8
129.05444	0.5
129.07007	2.6
130.04166	1.3
131.04936	24.4
131.08569	1.4
132.05684	1.7
133.02856	5.4
133.06499	10.9
134.03685	1.1
135.04385	1.0
135.08038	2.3
137.05977	11.4
137.06964	1.0
138.03122	1.0
138.06267	0.5
139.07574	1.1
140.04694	0.9
141.06953	0.7
142.02608	2.3
143.04950	2.5
143.05983	0.5
144.05724	2.8
145.02872	4.4
145.06503	8.3
146.03558	1.5
147.04428	6.0
147.08014	3.2
148.04022	0.9
148.05197	12.2
149.05994	4.7
151.03894	3.6
151.04964	0.8
151.07553	2.6
152.04672	2.4
153.05463	4.3
155.04924	0.8
155.06035	1.2
155.07089	1.2
156.05736	0.6
157.06465	2.1
158.07265	0.7
159.04387	0.9
159.08092	3.0
160.05196	2.1
161.05988	13.1
162.06621	1.6
163.03909	1.0
163.07555	25.2
164.04877	0.6
165.05547	2.9
165.09116	1.0
167.07050	76.0
168.07381	1.3
171.06532	2.3
172.05139	0.9
173.06013	8.8
174.06781	1.9
175.03972	0.7
175.07545	5.7
176.04723	2.8
176.08090	0.7
177.05470	9.0
177.09073	1.5
179.07036	7.3
179.08525	0.9
181.04964	90.2
181.08463	2.2
182.05461	1.1
183.06525	1.1
184.05153	0.7
185.05965	1.0
186.06752	0.6
187.07555	4.4
189.05493	1.3
189.09055	0.8
190.06299	2.8
191.07034	100.0
192.07562	1.7
193.04924	1.5
193.08606	3.6
195.06526	5.0
201.05518	3.5
201.09128	1.1
202.06158	0.9
203.07022	5.2
203.08627	0.9
205.06691	0.7
205.08568	6.5
206.90642	0.6
207.06490	2.8
207.08138	1.5
207.10152	1.9
209.08026	3.5
217.08597	4.7
219.06419	1.2
219.08153	1.5
219.10060	5.8
221.08086	1.6
223.09413	0.7
224.08112	0.5
225.07455	1.1
229.08669	0.7
231.06459	1.3
233.05998	0.7
233.08072	6.7
234.06795	0.9
234.08931	0.6
235.07428	2.5
235.09624	8.1
236.08295	0.8
237.09050	1.3
238.58330	0.6
239.06932	0.7
241.08507	1.6
245.08026	2.5
246.06880	0.7
247.07431	1.4
247.09773	0.8
248.08223	0.6
249.05428	1.0
249.09132	1.0
250.06299	1.2
251.06895	1.0
251.09113	0.8
252.07716	1.3
253.08488	1.2
255.10258	1.1
257.07986	1.0
261.11191	0.7
262.06354	0.6
263.09161	35.5
264.07559	0.9
265.08524	2.1
265.10941	1.2
267.10214	6.0
277.08746	0.6
279.10086	1.4
281.08087	1.2
281.11465	0.5
282.08749	0.7
283.09601	0.7
291.06613	0.8
291.10303	0.6
292.07312	0.9
293.07999	1.8
294.08691	1.0
297.11108	2.1
299.08890	0.9
300.09656	0.6
307.09540	2.2
309.07559	0.8
309.11111	1.4
323.09061	1.3
325.07349	0.5
325.10742	4.8
327.12149	1.3
329.10071	1.2
329.13754	1.4
331.11774	1.3
337.10681	2.9
339.12189	2.2
340.12561	0.9
341.13748	1.3
343.11618	0.8
344.12253	0.5
351.12167	0.6
352.09155	0.6
353.09918	1.6
357.13358	8.5
359.14709	1.1
367.11578	1.8
369.13443	3.9
371.14810	1.5
381.13062	0.8
385.12845	16.5
387.14645	2.6
387.18594	0.6
389.15735	1.1
399.14401	7.0
413.15778	1.1
417.15448	40.1
418.15787	1.2
489.59390	0.5
520.19403	0.6
546.00336	0.6
549.20386	0.7
579.21411	0.8
761.66174	0.6
794.38251	1.2
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
55.01871	1.1
55.05275	0.9
55.05515	13.5
57.03201	0.7
57.03445	9.3
57.07073	2.6
61.02929	3.0
65.03936	2.2
67.05508	59.8
68.05836	0.5
69.03419	1.4
69.07074	15.8
70.80025	1.5
71.04996	1.1
73.02927	1.1
77.03917	0.7
79.05498	37.6
81.03402	0.5
81.07059	59.9
82.07397	0.5
83.04971	1.9
83.08619	7.0
85.02895	2.3
85.06532	1.8
88.57992	0.6
91.03948	0.8
91.05485	21.5
93.07047	45.0
95.04962	2.4
95.08613	44.1
97.02911	1.4
97.06535	3.3
97.10161	2.7
99.08097	1.0
103.05453	0.6
105.04507	1.2
105.06326	0.6
105.07035	16.9
107.08601	22.3
108.26421	0.5
109.06547	1.4
109.10162	22.4
111.08079	1.5
113.09618	0.8
117.07008	6.8
119.07725	0.6
119.08586	15.6
121.10146	19.3
123.08054	0.9
123.11710	7.8
125.09659	1.1
128.06181	0.7
129.07022	2.3
131.08562	11.4
133.09137	0.7
133.10135	11.5
135.11702	14.4
137.09659	0.7
137.13272	2.3
139.11154	0.6
141.07007	0.7
143.08543	2.0
145.10133	10.5
147.11687	9.8
149.09628	0.7
149.13272	9.2
150.69128	0.5
151.11188	0.6
151.14844	0.7
155.08601	0.7
157.10100	1.4
159.11703	8.9
161.13257	8.1
163.14850	4.4
169.01553	0.6
171.11690	1.9
173.13266	7.2
175.14839	3.8
177.16412	1.5
183.11884	0.5
185.13269	2.2
187.14761	3.1
189.16399	1.4
197.13283	0.6
199.14883	1.2
201.16365	1.4
205.15910	0.6
211.14888	0.6
213.16473	0.9
215.18047	0.7
231.21008	1.0
233.22800	0.7
241.19666	3.1
243.21127	6.3
245.22714	1.1
259.20581	7.8
261.22171	17.8
263.23764	1.5
266.19623	0.5
267.19583	0.7
277.21545	0.6
279.23315	0.5
299.23666	0.8
315.23267	0.8
317.24771	4.1
333.24228	5.7
335.25812	100.0
336.26303	1.2
337.27362	9.0
351.25476	0.8
353.27444	0.9
503.42844	0.8
521.43433	2.1
539.44421	0.7
595.47302	13.4
613.48254	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	793.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37473	0.8
57.07091	1.8
67.05515	7.6
69.07080	8.0
70.81277	1.8
70.81616	1.2
72.72257	1.0
73.02932	0.9
78.10958	0.9
79.05482	4.3
81.07059	13.2
83.08630	5.0
84.08145	1.1
86.09713	1.6
91.05490	7.4
93.07050	13.1
95.08619	36.0
97.10192	3.3
105.07039	12.3
107.08602	24.2
109.10172	23.3
111.11841	1.1
117.07049	1.1
119.08599	24.6
120.08150	1.0
121.10159	23.7
123.11700	7.8
125.13301	1.0
131.08568	2.2
133.10138	21.7
135.11719	17.2
137.05972	1.7
137.13298	2.3
137.20413	1.0
145.10139	5.1
147.11697	19.0
147.12820	1.5
149.13260	11.5
153.09125	1.8
159.02853	0.9
159.11684	5.2
161.06105	0.9
161.13281	11.2
163.14879	10.1
167.07088	1.5
167.10690	1.9
173.13289	1.9
175.14839	9.4
177.16423	7.8
178.96593	0.9
187.14822	5.7
189.16406	29.9
191.17969	100.0
192.18370	1.3
193.12219	1.5
193.16011	0.9
196.08275	1.1
201.16393	10.0
203.17982	72.6
204.18214	1.3
205.19534	8.4
213.16348	1.2
215.17992	4.6
217.19565	8.6
221.19040	3.1
223.17070	0.9
225.16408	1.0
229.19516	2.5
229.90541	0.9
231.21089	2.7
235.16957	4.3
243.21335	0.9
245.22678	1.9
247.16946	4.2
249.18538	21.2
292.80292	0.9
343.26364	1.5
369.13141	0.9
393.35172	8.1
401.16620	0.9
411.36206	3.6
430.13522	0.9
439.35751	51.9
440.36057	2.2
747.38574	1.2
808.39050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.3
60.11276	0.3
67.05474	1.0
69.07055	0.7
70.17992	0.3
70.84434	0.5
73.02896	0.4
81.07065	1.9
83.08602	0.4
91.05434	0.5
93.07022	1.1
95.08608	3.9
105.07018	0.6
107.08580	1.9
109.10153	1.7
119.08553	1.3
121.10149	1.4
123.11667	0.5
133.10149	0.6
135.11668	1.2
137.13225	0.8
143.08450	0.3
145.10098	0.5
147.11711	0.4
149.13231	0.7
155.03166	2.4
155.20926	0.3
159.11658	0.4
163.00021	2.0
173.04227	57.6
173.13223	0.6
175.14850	0.3
181.01161	1.4
189.16335	1.6
199.02155	6.5
201.16412	1.3
203.18022	0.4
205.19435	0.4
214.06845	0.6
215.17986	2.1
217.03227	4.3
233.70018	0.4
258.99121	0.3
331.06369	56.1
332.06827	0.8
339.74719	0.3
349.07385	2.5
427.03220	0.3
453.37970	0.3
453.70801	0.3
479.35043	0.3
787.42377	100.0
788.42786	4.8
801.22302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
56.05028	0.2
69.03414	0.3
70.06593	16.7
70.42358	0.3
70.42762	0.3
72.08156	13.2
76.04013	0.5
79.05491	0.2
82.06586	1.0
84.04502	4.2
84.08144	1.6
85.02895	0.3
85.04034	0.4
86.09698	0.5
88.03994	0.4
89.03934	0.2
91.05467	1.1
93.07040	1.5
99.09216	1.5
100.07585	0.3
103.05464	5.0
103.06148	0.3
110.06043	0.2
110.07191	0.4
111.09189	0.2
115.05448	0.9
116.03468	0.9
116.07023	0.2
117.03380	0.5
117.05694	0.2
117.07033	0.3
118.06545	5.1
119.04930	0.3
120.08105	100.0
121.08423	0.9
125.07020	0.2
127.08686	1.4
129.10245	0.5
130.06523	3.8
130.08598	0.9
132.08089	2.0
137.05951	0.5
138.06409	0.2
139.08649	0.2
142.06526	1.9
143.04527	3.6
143.07298	0.9
144.08087	5.5
145.02856	1.3
145.07591	2.9
145.08661	0.2
146.06009	19.0
147.04404	0.2
149.05899	0.3
154.06502	3.4
156.08133	0.8
157.09731	4.7
158.06134	0.2
158.08485	0.9
158.09569	0.3
159.09166	2.5
160.07491	0.4
161.05957	0.2
163.03928	0.5
165.10234	11.4
167.07071	0.7
167.32074	0.2
169.06506	0.1
169.07611	9.0
170.06010	16.5
171.09174	11.3
173.10698	0.3
175.08705	0.3
175.10797	0.3
177.05449	2.0
178.05824	0.5
179.07059	0.2
181.05013	0.4
181.09711	6.5
182.06015	0.4
185.09219	6.3
186.09201	0.5
187.08652	0.3
188.07065	30.9
189.07379	0.5
196.11255	0.2
197.07120	1.5
198.05415	0.2
199.08617	1.1
199.12332	0.2
200.07010	0.3
201.05571	0.3
205.09720	11.8
209.07202	0.2
209.09219	4.4
209.11089	0.3
213.08704	1.3
213.13942	0.2
215.08160	14.2
216.08830	0.5
217.09868	0.9
223.12273	0.2
225.13791	0.4
230.11392	0.9
232.10818	0.6
241.13309	0.9
242.11815	0.2
243.07637	1.4
251.11986	0.2
253.13379	0.5
268.14499	0.5
269.12833	2.4
270.16046	1.5
286.15552	2.5
296.13980	0.2
298.15372	0.2
310.15421	0.3
314.14975	26.9
315.15298	0.5
328.13580	0.2
328.16556	5.3
342.14478	9.3
343.14594	0.2
344.16043	2.9
355.17419	0.3
356.16010	3.3
371.17145	1.4
373.18750	6.0
377.18198	0.5
383.17032	0.5
385.13281	0.2
399.16760	0.3
400.15024	0.8
417.17691	22.5
418.18021	0.5
482.23926	1.0
493.20087	0.2
494.16495	0.2
510.23416	0.4
567.25146	0.3
585.26660	0.8
587.25665	0.3
597.76483	0.2
615.25079	0.2
686.32800	0.2
692.69232	0.2
714.31818	0.5
789.35480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
55.50397	0.3
57.07057	0.6
57.24951	0.4
67.05508	2.0
69.07059	1.0
71.23774	0.6
73.02910	0.5
73.36898	0.3
79.05482	0.9
81.06612	0.3
81.07059	4.9
83.08591	0.5
91.05490	0.5
93.07053	1.5
95.08616	6.2
97.10160	0.4
102.96880	0.5
105.07001	1.1
107.08582	2.1
109.10174	3.4
110.10376	0.4
119.08606	1.9
119.85555	0.3
121.10155	2.2
123.11691	1.8
133.10132	0.8
135.11687	0.8
137.13248	2.2
145.10164	0.5
147.11684	0.7
149.13281	2.1
149.99597	0.3
155.03194	2.2
155.04218	0.3
159.11690	0.7
161.13307	0.7
163.00084	1.8
173.04233	59.4
173.13234	0.6
174.04645	0.6
175.14795	0.9
181.01115	2.1
182.78705	0.4
183.84071	0.4
187.14807	0.4
189.16405	1.3
199.02135	7.2
201.16377	1.2
203.17970	0.4
205.19589	0.5
213.16347	0.8
214.06915	1.2
215.17990	2.7
217.03209	4.6
217.19565	0.3
241.31674	0.4
261.18466	0.7
303.06622	0.5
331.06381	60.2
332.06720	0.7
349.07440	3.1
372.08951	0.4
439.35828	0.5
482.18225	0.3
490.00116	0.4
655.37659	0.5
670.74902	0.4
787.42389	100.0
788.42743	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	787.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
60.04543	0.4
61.02913	0.5
63.71776	0.4
65.03936	0.7
69.03446	2.1
69.44135	2.0
69.44543	0.8
70.06590	3.1
72.08151	0.7
77.03906	0.4
79.05471	0.4
81.03407	1.1
84.04519	0.4
84.08123	0.6
84.51019	0.4
84.70650	0.4
85.02906	3.1
86.09682	1.2
86.46419	0.4
91.05485	8.9
93.07046	13.7
95.04975	3.0
97.02865	1.4
98.21456	0.8
102.04653	0.6
103.04802	0.7
103.05468	9.2
105.04507	0.9
105.07047	0.4
110.07155	0.9
117.03373	0.8
119.04877	0.6
119.08528	0.4
120.08099	1.0
121.06509	100.0
122.06834	0.8
125.06046	0.4
127.03918	0.9
129.10217	0.5
130.04208	0.5
133.10136	0.4
135.04425	0.4
136.07570	0.4
137.05965	0.8
141.03343	2.2
143.04942	0.5
145.02823	1.1
145.04868	0.4
145.06500	0.7
146.06020	0.8
149.06042	0.5
151.03909	1.0
157.04834	0.4
161.06009	0.6
163.03912	0.4
164.07092	7.7
167.06998	1.0
173.06010	1.1
174.06750	0.6
175.14819	0.9
177.05540	2.2
181.04878	0.6
186.03088	0.7
189.06973	0.5
191.07062	3.5
191.08653	0.6
194.07285	0.7
201.05389	90.8
202.05852	1.3
205.06543	3.0
207.08102	0.6
208.01180	0.3
211.07565	0.5
219.08087	2.0
219.89174	0.3
220.05150	1.8
221.06044	0.6
222.06818	1.6
233.06035	2.2
234.06754	3.3
235.07545	10.0
235.09808	0.7
236.08186	0.5
237.05489	0.4
237.09116	11.4
239.06993	1.0
243.06566	0.5
244.06073	2.8
247.07559	3.2
248.04694	2.5
249.05434	3.1
250.06270	4.8
250.82614	0.4
251.07121	0.8
252.07863	0.7
263.07037	16.8
264.07776	1.5
265.05240	1.7
265.08597	32.2
266.09256	1.5
267.06537	1.9
276.04309	0.7
279.07379	0.4
279.10217	1.5
280.07361	6.3
281.07919	0.5
282.08871	38.8
283.09406	0.5
291.06525	25.0
292.06873	0.6
295.09674	1.6
297.11230	27.4
299.09128	0.7
308.06702	3.0
312.06381	0.5
313.10696	2.0
315.52866	0.4
317.06479	0.5
323.09143	68.9
324.09357	1.9
340.11801	1.0
351.08615	0.4
363.10947	0.4
364.11771	13.3
369.09741	0.4
460.17572	26.0
461.17969	1.3
485.14752	0.7
488.17072	46.2
489.17642	1.6
622.22821	30.2
623.22443	0.5
625.25800	0.9
650.22327	77.3
651.22852	2.2
787.30121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
57.01235	0.4
57.03416	1.7
61.02911	0.9
65.03932	0.6
69.03089	0.5
69.03432	6.0
69.56309	2.3
70.06594	2.4
71.04971	0.7
72.08132	0.7
73.02898	1.1
77.03959	0.5
79.05473	0.9
81.03422	2.7
84.04475	0.5
84.08120	1.4
85.02906	9.0
86.09679	1.1
87.04448	1.1
89.03918	0.6
91.05476	8.9
93.07041	13.5
95.04967	3.4
97.02885	3.4
98.20811	0.7
99.04436	0.8
99.68726	0.4
103.03960	0.4
103.05480	10.0
105.04476	1.4
105.07007	1.2
107.04949	0.7
109.02872	1.5
110.03627	0.4
111.04446	0.6
117.03359	1.5
117.07012	1.3
119.04910	0.9
120.08090	1.0
121.06505	100.0
122.06816	0.8
123.04421	0.6
125.06054	0.5
127.03910	1.7
129.10242	0.7
131.04912	0.5
136.07570	0.5
137.05925	1.0
138.09106	0.7
141.03363	2.5
145.02852	2.5
145.06464	1.3
146.06012	0.9
147.04381	0.6
149.05989	1.1
151.03888	1.2
156.96411	0.4
158.03613	0.5
161.05998	0.5
163.03915	1.0
163.07524	1.5
164.07092	5.6
167.06999	2.3
173.05928	1.1
174.06758	0.7
177.05486	4.7
181.04962	1.0
186.03046	0.7
187.07396	0.5
191.07036	4.2
191.08607	0.7
194.07254	0.7
201.05388	91.4
202.05832	1.6
205.04808	0.5
205.06537	2.2
207.06558	0.4
211.07349	0.6
219.08058	1.2
220.05112	2.2
221.05978	0.9
222.06728	1.5
226.04912	0.6
233.05988	2.0
234.06792	2.3
235.07539	11.0
237.05519	0.5
237.09105	8.7
239.06903	0.9
244.06071	4.4
247.07541	2.2
248.04709	2.6
249.05516	2.4
250.06203	3.2
251.07022	0.4
252.07773	0.7
263.07050	16.1
264.07898	1.9
265.05017	2.9
265.08585	23.1
266.09158	1.1
267.06479	1.7
271.09708	0.8
276.04129	0.7
279.10065	0.8
280.07315	6.3
282.08868	28.7
283.09229	0.4
287.05557	0.7
291.06516	19.6
295.09631	1.8
297.11224	16.5
297.13809	0.3
301.07037	0.5
308.06824	3.2
313.10519	2.6
317.06601	1.1
323.09134	63.7
324.09473	1.1
325.10492	0.5
340.11731	0.8
351.08527	0.7
364.11795	26.4
369.09662	1.0
460.17560	48.7
461.17844	1.0
462.19049	1.0
488.17053	67.0
489.17224	1.7
512.16913	0.5
622.22430	1.2
625.25183	1.5
650.22308	50.3
651.22076	1.8
740.83972	0.4
787.30304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2291
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01849	0.2
55.05502	0.5
56.57632	0.2
57.03191	0.2
57.03441	2.5
58.84371	0.2
59.05001	0.2
60.54427	0.2
61.02932	2.3
61.20904	0.1
69.03440	1.0
69.71139	0.9
71.01350	0.3
71.04997	13.6
73.02920	1.2
75.04491	1.1
80.49442	0.2
81.03410	0.6
83.04984	2.3
84.29385	0.2
85.02910	21.2
87.04469	0.5
88.25148	0.2
91.03967	2.0
91.86750	0.2
92.02618	0.4
93.03405	0.6
94.00755	0.2
97.02906	2.1
99.04433	0.5
101.02396	0.2
103.03962	0.2
109.02875	0.5
111.00837	0.2
111.04456	1.5
115.03888	0.3
121.02857	0.6
126.03135	0.2
127.03924	1.7
129.05496	7.2
139.03882	0.7
142.55057	0.2
145.04990	1.6
147.06531	4.3
151.03918	0.7
153.01833	4.5
163.06039	1.3
163.13060	0.2
165.01881	0.4
165.07628	0.2
168.59363	0.2
177.05493	0.3
201.05531	0.4
217.05005	0.5
218.05804	0.3
228.04134	0.5
229.04965	2.1
231.02888	0.2
233.04561	0.2
243.06487	0.2
245.04518	0.7
246.05269	1.1
255.08667	0.4
257.04520	1.8
260.03238	0.3
261.07474	0.2
273.03922	1.2
274.04727	3.7
284.03177	0.4
285.03964	3.3
302.04233	9.5
317.06564	100.0
318.06918	1.7
329.06650	0.5
359.07654	0.6
383.07596	0.5
418.11832	0.2
461.10846	0.4
479.11993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2298
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01849	0.1
55.05480	0.1
57.03440	1.4
59.04980	0.1
61.02929	1.6
65.03897	0.1
68.99778	0.2
69.03442	0.7
70.06561	0.4
70.78957	0.2
70.79288	0.1
71.04996	8.7
72.08136	0.2
73.02921	0.6
73.63818	0.1
75.04493	0.5
81.03381	0.2
83.04957	0.4
84.04457	0.1
85.02907	11.5
86.03200	0.2
86.09689	0.2
87.04453	0.3
91.03942	0.9
92.02597	0.3
93.03374	0.4
97.02909	1.1
99.04420	0.2
99.30893	0.1
109.02871	0.2
111.00787	0.1
111.04412	0.4
115.03888	0.1
117.03332	0.5
121.02863	0.5
126.03101	0.1
127.03938	0.5
129.05482	2.8
135.04399	0.2
136.07535	0.2
137.02359	0.3
139.03920	0.6
142.33435	0.1
145.02859	1.3
145.04919	0.4
147.06532	0.9
149.05933	0.1
151.03903	0.9
153.01830	3.7
154.73331	0.1
161.05997	0.1
163.03897	0.6
163.05940	0.2
165.01842	0.5
177.05481	3.2
183.02870	0.2
201.05420	0.5
203.03363	0.1
217.05019	0.3
218.05774	0.3
228.04237	0.6
229.04955	1.7
231.02808	0.2
245.04430	0.5
246.05270	0.8
257.04462	1.8
260.03394	0.2
261.07568	0.3
271.06088	0.2
273.03998	0.8
274.01733	0.2
274.04727	3.6
284.03201	0.4
285.03925	3.7
285.07059	0.2
286.04480	0.1
287.05533	2.0
288.06171	0.2
288.89438	0.1
301.03165	0.1
302.04218	12.3
303.04660	0.2
317.06555	100.0
318.06921	1.8
319.10501	0.1
321.09625	0.1
329.14447	0.1
339.10913	0.5
355.08191	0.1
359.07507	0.3
427.10452	0.1
461.10672	0.3
479.11862	27.7
480.12268	0.7
498.45499	0.1
641.16730	0.2
652.64642	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05505	3.2
57.03436	7.2
62.56428	0.4
65.03931	0.6
67.05507	4.5
69.03426	2.6
69.07072	1.9
70.06594	0.4
71.01341	1.1
71.51765	0.6
73.02906	1.5
75.84006	0.4
77.03918	0.9
79.05491	13.2
81.03410	0.4
81.07054	23.8
83.04967	0.6
83.08608	0.8
85.02906	4.7
85.77033	0.4
91.05484	10.5
93.07045	14.7
95.01337	0.9
95.04970	5.4
95.08603	15.0
97.02880	1.5
97.06522	1.9
97.10171	1.7
99.00836	0.4
103.03918	1.0
103.05426	0.7
105.03391	76.8
105.07027	24.9
107.08591	18.8
109.06504	1.0
109.10162	5.4
113.02387	2.0
117.06997	2.2
119.08581	56.6
120.08858	0.8
121.06506	1.8
121.10136	19.0
123.04427	13.8
123.08047	3.5
123.11634	0.4
125.09585	1.3
129.06987	1.1
131.03397	0.8
131.08592	2.8
133.09117	0.8
133.10132	16.6
135.04385	0.5
135.08066	1.2
135.10704	0.9
135.11693	14.1
137.09589	0.6
141.01820	1.9
142.07806	1.0
143.07011	1.2
143.08620	2.2
144.09343	0.7
145.10120	2.0
147.08026	1.2
147.11693	7.5
149.09657	0.8
156.09331	0.7
157.10114	3.3
159.02856	0.8
159.08066	0.6
159.11696	11.8
160.12422	0.6
161.09659	2.2
161.13251	21.6
169.08647	2.0
169.09921	0.5
171.11655	1.2
173.09547	0.4
173.13411	0.9
175.11191	1.7
175.14816	1.1
177.05473	0.6
179.07030	100.0
180.07344	0.8
189.12798	1.1
189.16376	51.0
197.08080	3.6
199.14833	3.4
201.16447	0.4
208.11029	0.5
210.12495	0.4
217.15858	23.0
221.08044	0.8
229.15829	0.7
231.08583	0.7
269.41681	0.4
291.19540	17.1
355.10229	11.0
357.17007	0.4
393.19058	7.8
395.21970	0.9
413.23224	6.7
467.22769	3.1
553.99213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.5
56.45143	0.4
57.03437	2.8
57.07071	3.7
61.02916	0.6
64.67004	0.5
67.05508	9.3
69.03433	2.7
69.07073	10.7
71.01359	0.6
71.08626	0.6
71.41216	0.8
73.02923	7.4
77.84103	0.5
79.05496	5.3
81.07061	25.2
83.08623	5.9
85.02923	4.0
91.05476	4.5
93.07049	14.9
93.07632	0.9
95.01335	1.2
95.08611	45.2
97.02894	6.8
97.10175	4.6
103.40184	0.4
105.07037	10.3
107.08601	24.7
109.10164	28.6
111.11744	1.1
115.03940	5.4
117.07041	0.8
118.54612	0.5
119.08587	19.5
121.10149	25.1
123.11715	14.4
131.08592	4.4
133.04951	2.5
133.10135	16.6
135.10699	1.0
135.11702	19.0
135.12732	1.1
137.13258	11.4
139.07526	0.7
141.01834	6.4
145.10130	8.3
147.11699	12.0
149.13263	23.6
150.07649	0.7
151.14815	1.3
153.09129	2.4
157.10114	0.6
159.02936	1.9
159.11691	3.8
161.13274	8.2
163.14807	5.6
165.09074	0.6
171.11726	1.1
172.37010	0.4
172.61737	0.4
173.13271	4.3
175.13472	0.7
175.14857	6.7
177.09058	0.6
177.16383	6.4
179.10715	1.4
179.18001	1.6
187.14799	3.3
189.16393	23.9
191.17957	40.1
192.18248	0.6
193.19482	1.1
199.14810	0.9
201.16394	34.0
202.16840	0.7
203.17967	31.0
205.19530	30.0
206.19856	0.7
207.13760	0.7
207.17412	1.3
213.16385	1.7
215.17955	13.9
217.07057	0.5
217.16165	0.6
217.19547	8.2
219.17453	1.4
219.21167	0.7
221.15366	1.1
221.18982	0.6
227.18019	0.9
229.19543	1.8
231.21051	2.3
233.15448	1.0
235.16971	5.2
241.19557	2.2
243.21100	4.0
245.22711	3.2
247.16949	23.1
249.18529	3.7
255.05075	1.0
255.21140	2.2
257.22726	2.0
259.17062	1.0
261.18500	8.3
269.22751	1.2
273.06097	2.1
275.20239	0.9
283.24435	0.6
287.20139	1.2
289.21619	2.2
291.07056	1.2
301.21613	1.2
309.08096	1.2
315.23312	1.4
321.56644	0.5
326.10706	1.0
329.24841	0.5
351.30588	0.9
355.26346	0.8
393.35199	10.0
411.35849	0.6
421.34500	0.8
439.35739	100.0
440.36206	2.5
560.73169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	7.4
57.03436	3.9
57.07078	5.1
57.81799	0.4
61.02917	1.0
63.02858	0.5
67.05507	13.3
69.03424	4.0
69.07070	12.2
69.08308	0.5
69.84441	2.1
71.01344	0.7
71.08607	1.1
73.02914	9.5
79.05490	5.3
81.07058	39.0
82.07410	0.6
83.08623	7.4
85.02901	5.0
85.10168	0.5
91.05479	4.4
93.07042	14.6
95.01324	1.8
95.08610	60.8
97.02299	0.9
97.02895	10.9
97.10169	4.8
102.14716	0.4
105.07034	9.6
107.08595	22.6
109.10158	37.3
111.11703	1.4
113.02402	0.7
115.03921	7.8
119.08581	21.2
121.10145	21.6
123.11710	27.9
123.16123	0.5
131.08554	3.8
133.04962	3.8
133.10147	14.8
135.11696	16.2
137.05984	0.7
137.13257	20.2
139.07527	1.0
141.01831	10.6
143.08578	1.0
145.10118	5.5
146.92897	0.5
147.11696	12.5
149.13266	16.0
150.07646	0.5
151.14815	0.7
153.09091	2.5
157.10155	1.2
159.02896	2.8
159.11681	3.9
161.13275	9.4
163.14816	5.0
165.16359	0.6
171.11705	1.1
173.13232	4.9
175.14838	8.4
177.04022	1.3
177.09099	0.7
177.16402	5.6
179.10667	1.0
179.17953	7.6
185.13261	0.8
187.14821	4.7
189.16385	30.8
190.16724	0.8
191.17957	39.6
193.19557	0.8
199.14827	1.5
201.16394	17.1
203.17963	33.8
205.19518	22.8
207.13931	0.7
207.17413	0.8
213.16376	6.1
215.17950	25.8
217.07227	0.8
217.16039	0.8
217.19513	7.1
219.13583	0.5
219.21057	0.8
221.15321	1.2
221.18948	1.0
223.17101	0.6
227.17931	0.8
229.19504	0.9
231.17554	1.1
231.21048	2.6
233.15462	0.8
235.16898	5.0
241.19594	1.7
243.21117	2.2
245.22630	3.3
247.16928	15.2
249.18484	3.9
255.05002	1.8
255.21082	1.5
257.22644	2.2
259.16934	3.7
261.18515	14.0
269.22757	1.1
273.06018	2.9
273.18558	1.0
275.20132	0.6
281.22836	0.6
287.20038	1.0
289.21713	1.4
291.07059	1.7
301.21640	0.9
309.08160	1.9
311.58603	0.5
315.23260	1.1
316.31180	0.5
343.26035	0.9
355.26379	1.2
393.35184	15.8
421.34818	1.3
439.35727	100.0
440.36087	2.5
778.07452	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05312	0.7
55.05516	7.8
57.07066	3.6
65.03949	1.0
67.05507	9.3
69.03426	1.2
69.07069	13.8
70.06602	4.1
70.65929	2.3
71.01350	1.1
71.08643	1.3
73.02924	2.5
75.78049	0.8
77.02409	6.5
79.05506	6.6
81.07060	28.5
83.08630	6.2
84.08140	1.9
84.31064	0.7
85.02905	9.4
86.09693	3.4
91.05472	5.4
93.07045	19.4
95.01318	2.4
95.04913	0.8
95.08613	51.5
96.12532	0.8
97.02893	4.0
97.10180	5.5
101.02371	1.7
103.03960	2.2
105.07036	12.2
107.08591	28.3
109.10161	33.9
111.11716	1.0
113.02366	3.3
117.07033	0.8
117.21869	1.0
119.08582	20.5
121.06529	1.2
121.10145	32.0
123.11709	20.0
129.01826	1.4
131.03412	4.2
131.08595	3.8
133.10143	18.8
135.11694	20.9
136.07576	1.1
137.13257	12.5
141.01826	14.8
143.08498	0.9
145.02774	1.1
145.10127	9.7
147.11700	12.0
149.13252	25.8
149.14392	1.7
151.02446	4.6
151.07587	1.6
151.14906	1.5
153.09097	2.0
159.02910	7.7
159.11688	5.7
161.13280	9.6
163.14810	7.2
171.11699	1.7
173.13295	5.8
175.14832	9.2
177.03937	7.3
177.05424	1.3
177.16397	7.2
179.10693	2.2
179.17943	1.6
187.02382	3.0
187.14754	5.4
189.16380	30.5
190.16786	1.0
191.17952	49.0
192.18109	0.8
199.14838	1.8
201.16385	39.2
203.17963	34.3
205.19521	38.8
207.17343	0.9
213.16414	3.6
215.17958	18.4
217.19522	9.7
219.17476	1.0
221.15292	1.1
227.17970	1.7
229.19556	2.3
229.39589	0.8
231.21031	3.4
233.02972	2.3
235.16920	6.6
241.19502	2.5
243.21002	5.7
245.22714	4.4
247.16942	29.0
249.18535	5.4
255.21109	2.1
257.22586	2.5
259.17059	1.0
261.18491	10.4
269.22537	2.3
271.24277	1.1
275.20288	0.8
283.24173	1.0
287.20206	1.8
289.21622	3.6
301.21576	1.2
309.04507	5.9
315.23166	1.9
393.35114	17.0
411.36099	1.0
439.35739	100.0
440.35907	2.3
718.37677	1.0
733.49927	0.9
782.25537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.4
57.03426	1.7
57.07070	3.9
65.03929	1.1
65.24111	0.7
67.05181	0.8
67.05507	12.1
69.03425	1.5
69.07067	14.5
69.35858	5.2
71.01331	0.9
71.08611	1.3
73.02911	2.3
77.02402	5.9
79.05476	6.3
81.07058	29.9
81.19334	0.7
83.08629	9.9
85.02911	10.4
86.09648	0.8
90.52626	0.6
91.05471	6.2
93.06484	1.3
93.07044	19.5
95.01310	1.7
95.08611	54.4
97.02894	4.4
97.10176	6.0
101.02391	1.6
103.03960	1.9
104.10763	0.9
105.07029	11.3
107.08603	29.8
109.10159	34.6
111.11726	1.8
113.02372	4.2
117.07047	1.5
119.08585	21.4
121.10149	31.8
123.11710	19.0
125.00026	0.9
129.01773	1.1
131.03409	2.6
131.08562	4.7
133.10141	19.6
135.08107	0.9
135.11702	23.9
137.13263	13.6
139.39520	0.7
141.01834	12.3
143.08560	1.3
145.10138	11.5
147.11699	15.8
149.13266	27.8
149.38449	0.6
151.02380	4.2
151.14822	1.5
153.09111	2.7
157.10088	1.3
159.02913	6.6
159.11703	5.8
161.13251	9.5
163.14841	7.9
171.11659	2.2
173.13300	5.6
175.14812	10.5
177.03943	5.4
177.16405	7.4
179.10611	1.5
179.17972	1.9
184.07368	2.3
185.13181	1.2
187.02432	1.9
187.14882	4.6
189.16389	30.4
191.17957	48.7
193.12347	0.8
199.14825	1.2
201.16394	42.8
203.17963	37.7
205.03185	0.8
205.19527	41.5
207.17499	2.0
213.16380	3.4
215.17969	17.0
217.19502	11.2
219.17534	1.0
221.15384	1.7
227.18030	2.1
229.19542	2.4
231.21107	3.3
233.02994	1.5
233.15437	0.9
233.44667	0.7
235.16934	6.8
241.19489	3.2
243.21014	6.2
245.22699	4.2
247.16939	25.7
249.18483	4.0
255.21094	4.1
257.22711	2.8
259.16864	1.0
261.18466	11.6
269.22702	2.1
271.93713	0.7
287.20233	1.5
289.21750	3.8
301.21658	2.2
309.04559	3.4
315.23276	1.5
317.46680	0.9
326.07150	0.9
329.24606	1.1
343.26373	0.8
393.35181	15.8
439.35727	100.0
440.35812	2.5
446.00137	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
56.05023	0.2
57.03423	0.5
61.02913	0.7
65.03941	2.7
67.05490	1.2
69.03091	0.2
69.03429	2.3
69.22952	2.0
70.06594	1.6
71.04968	0.2
72.08131	0.6
73.02380	0.2
73.02869	0.4
77.03924	0.2
78.04340	0.2
78.04714	2.8
79.05154	0.2
79.05493	1.7
81.03419	1.4
81.07043	0.3
82.04175	1.1
84.08123	1.0
85.02439	0.3
85.02903	4.1
86.09676	0.6
86.73267	0.2
87.04446	0.2
90.74995	0.2
91.05485	4.2
93.03391	1.1
94.04156	0.5
95.04959	1.6
96.05762	0.2
97.02887	1.9
97.06513	0.8
98.21507	0.5
99.04458	0.3
103.05462	2.2
105.03371	0.4
105.04458	0.4
105.06989	0.6
106.04186	1.3
107.04955	2.9
108.02085	0.5
109.02856	0.7
110.03673	1.2
110.07168	0.3
111.04433	0.5
111.08115	0.3
115.05452	5.3
115.06271	0.3
116.06205	0.3
117.07020	7.8
119.04937	3.8
120.08086	0.5
121.02890	0.3
121.06503	0.4
122.03630	0.7
123.04427	7.2
124.05226	2.1
125.05983	1.1
127.03912	0.5
127.05452	1.3
129.06944	0.3
129.10231	0.4
130.04129	0.3
131.04915	1.3
132.05672	0.4
133.02826	0.9
134.03587	0.5
135.04387	0.6
136.07593	0.5
137.05980	6.0
138.03088	0.7
142.02623	1.3
143.04913	0.7
144.05716	0.4
145.02769	0.5
145.06485	12.7
147.03238	0.3
147.04401	4.1
147.08044	0.9
149.06003	0.4
151.03937	1.8
151.07542	0.7
152.04675	1.9
153.05443	1.6
155.04912	0.3
155.06027	5.2
160.05170	0.5
161.06017	1.2
162.06645	0.3
163.03918	0.5
163.07480	0.3
165.05457	0.9
167.07037	100.0
168.07379	0.8
171.06532	1.8
172.05225	0.3
173.05984	23.2
174.06639	0.4
175.07532	1.3
176.04657	0.5
177.05457	1.0
179.07047	1.9
181.04951	48.0
182.05310	0.5
188.04686	0.3
189.05452	0.5
190.06235	0.6
191.07001	1.3
193.08449	0.3
195.06572	0.5
201.05428	1.2
203.07024	2.5
205.06656	0.3
205.08603	5.8
207.06435	0.3
207.08157	0.2
207.10243	0.3
209.08020	0.3
217.08531	0.4
219.06383	1.1
219.08345	0.4
219.10107	0.3
220.07208	0.3
221.06096	0.2
221.08099	0.6
222.06752	0.4
231.06561	1.0
233.08076	6.4
234.06747	0.3
234.08910	0.4
235.07593	0.3
235.09659	5.2
237.09129	0.6
239.07176	0.4
250.06194	0.5
251.06911	0.3
254.09319	0.2
263.06992	0.3
264.07797	0.2
265.08554	0.8
267.06519	0.4
267.10092	0.4
277.08630	0.2
278.05646	0.3
279.06485	0.4
281.08237	0.3
282.08871	0.4
283.09665	0.5
293.08057	1.0
294.08817	0.3
295.06097	0.3
295.09467	0.3
297.11145	1.0
299.09149	0.3
307.10101	0.2
309.07489	0.3
310.08350	1.2
311.09122	0.5
323.08969	0.3
324.09747	0.3
325.10706	1.7
326.11566	0.7
327.08713	0.3
327.12320	0.3
329.13788	0.4
337.10516	0.3
338.07919	0.3
342.10956	0.3
353.10233	0.8
354.10986	0.3
355.11710	0.4
356.12585	0.2
357.13324	5.3
367.11783	0.5
369.13412	0.4
370.10187	0.3
370.14331	0.3
385.12799	20.5
386.13339	1.0
387.14410	5.6
397.12643	1.3
399.14487	0.8
403.13901	1.5
415.13889	2.2
416.14670	0.8
417.15439	33.4
418.15836	0.9
453.33105	0.2
460.35110	0.2
515.17236	0.3
559.17889	0.3
565.20544	0.5
577.19385	0.5
583.21552	0.3
595.20953	0.7
613.22754	11.2
614.23236	0.6
775.28040	23.1
776.27844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.2
57.03430	1.5
57.07073	2.9
61.02926	0.9
67.05512	7.7
69.03419	3.5
69.07073	12.4
70.06583	0.8
71.08616	1.2
71.52120	0.8
73.02922	6.5
75.99471	0.8
79.05497	4.7
81.06590	1.4
81.07064	24.2
82.27240	0.8
83.08619	7.4
85.02908	3.9
91.05482	3.3
93.07049	14.9
95.01328	2.4
95.08614	41.9
97.02887	9.8
97.10189	5.2
105.06377	1.3
105.07031	9.2
107.08601	23.3
109.10164	27.1
111.11719	2.2
115.03934	5.2
117.07032	1.3
119.08587	19.5
121.10154	25.3
123.11710	14.8
131.08580	3.5
133.04955	2.3
133.10135	16.6
135.11702	19.0
137.13263	11.4
141.01820	7.5
145.10133	7.5
147.11688	12.6
149.13261	22.6
153.09180	2.2
156.98152	0.8
159.02908	1.9
159.11713	5.0
161.13284	7.6
163.14871	7.1
167.10764	1.1
171.11664	1.3
173.13268	3.7
175.14845	9.2
177.03944	1.1
177.05498	0.8
177.16417	6.3
179.10689	0.9
179.17937	3.0
187.14850	3.9
188.42206	0.8
189.16396	26.7
191.17955	41.5
193.12286	1.3
193.19518	1.0
199.14766	1.8
201.16386	30.9
203.17955	33.6
205.19521	32.0
207.17542	1.7
213.16429	3.2
215.17960	12.1
217.19528	8.1
219.17418	1.2
219.21024	1.0
221.15323	1.8
227.17972	1.7
229.19661	1.4
231.21065	2.3
233.15355	1.0
235.16919	6.0
241.19524	1.5
243.21140	3.6
245.22681	3.8
247.16946	18.1
249.18506	5.2
255.21089	2.1
257.22675	2.4
261.18469	7.7
269.22549	1.2
273.06085	2.4
287.19888	1.1
289.21640	1.8
291.07004	1.2
309.08197	1.6
315.23199	1.6
351.30780	0.9
352.03400	0.9
393.35153	12.5
439.35730	100.0
440.35843	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05040	0.6
58.06356	0.3
58.06631	0.5
60.08173	5.3
60.08483	0.3
60.50719	0.2
61.42441	0.2
67.05511	0.5
69.07072	0.2
69.25667	1.8
71.07378	3.2
74.22970	0.2
81.07076	0.7
82.56738	0.2
82.59962	0.2
85.61606	0.2
86.09714	30.2
93.07031	0.3
95.08613	0.5
98.98475	3.1
104.10738	2.3
105.07123	0.2
125.00014	20.8
146.98201	0.4
151.07555	0.3
184.07355	100.0
185.07695	0.6
200.32524	0.2
234.83835	0.2
268.47629	0.2
379.01331	0.2
405.89398	0.2
518.32208	0.3
535.40833	0.2
540.82904	0.2
557.18219	0.2
597.48730	0.3
721.48071	0.3
780.55530	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	775.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
57.03411	0.5
61.02904	0.4
65.03671	0.3
65.03938	3.9
66.57011	0.4
67.05491	1.0
69.03430	2.8
70.06602	2.4
70.72974	0.6
72.08139	0.8
73.02887	0.6
78.04718	3.2
79.05468	1.6
80.04699	0.3
80.25124	0.3
81.03402	1.7
81.07041	0.8
82.04179	1.4
84.08119	1.3
85.02911	4.5
86.09687	1.2
91.05482	5.1
93.03375	1.3
95.04943	1.5
96.05769	0.3
97.02904	2.1
97.06508	1.2
103.05457	2.8
105.03353	0.4
105.04453	0.4
105.07023	0.5
106.04165	1.8
107.04383	0.4
107.04961	3.4
108.02045	0.6
109.02879	0.6
110.03638	1.3
110.07151	0.3
111.04436	1.0
111.52103	0.3
115.05451	5.7
117.03361	0.9
117.07019	8.1
119.04954	3.7
119.08593	0.5
120.08092	0.6
121.06467	0.5
122.03649	0.6
123.04424	7.0
124.05225	2.4
125.05991	1.9
127.03958	0.5
127.05415	1.9
129.06985	0.4
129.10196	0.7
131.04915	1.8
132.05696	0.6
133.02837	1.3
133.06441	0.6
134.03603	0.8
135.04408	0.6
137.05981	7.9
138.03111	1.3
142.02660	1.9
143.04871	1.2
144.05688	0.9
145.02888	2.6
145.06480	13.5
146.03162	0.4
147.04402	4.7
147.08035	1.3
149.05974	0.9
151.03915	2.5
151.07516	1.0
152.04684	2.5
153.05508	1.9
155.04883	0.7
155.06036	6.7
159.04523	0.5
160.05182	0.7
161.06004	1.8
162.06783	0.6
163.03922	0.5
163.07538	0.7
165.05499	1.4
167.07036	100.0
168.07370	1.0
171.06549	2.0
172.05190	0.6
173.05988	23.5
175.07571	2.2
177.05466	4.9
178.05833	1.5
179.07057	2.2
181.04950	62.1
182.05260	0.8
185.06088	0.4
187.07578	0.5
188.04724	0.5
189.07085	0.4
190.06136	0.6
191.06990	2.2
195.06442	0.4
201.05518	1.6
203.07008	3.4
205.06621	0.5
205.08575	7.4
205.10329	0.6
207.06499	0.7
209.06018	0.4
217.08624	0.7
219.06557	1.6
220.07285	0.5
221.08116	1.3
222.06870	0.4
231.06587	1.3
233.08072	7.6
234.06718	0.5
234.08798	0.9
235.07520	0.9
235.09653	6.7
236.08411	0.4
250.06357	0.7
251.06836	0.5
255.10231	0.4
263.07007	0.6
264.07819	0.8
265.08536	1.7
267.10175	0.8
271.09644	0.4
282.08926	0.8
283.09543	0.6
292.07413	0.5
293.08069	1.0
294.08926	0.5
295.06140	0.5
297.08075	0.4
297.11227	1.5
307.09662	0.7
309.07596	0.5
310.08447	1.1
311.09042	0.6
315.12341	0.6
323.09311	0.4
325.10770	2.5
326.11575	0.8
327.08649	0.6
327.12393	0.7
329.13702	0.5
339.12256	0.5
342.11002	0.8
353.09888	0.7
354.11188	0.5
355.11786	0.5
357.13284	7.3
359.23218	2.0
365.10269	0.5
367.11853	0.5
369.13452	0.6
385.12796	25.4
386.13251	0.9
387.14340	3.7
397.12732	2.1
399.14603	0.5
403.13889	2.8
415.13885	5.3
416.14731	1.6
417.15433	10.6
515.16998	0.6
565.20874	1.1
566.21674	0.4
577.19434	0.9
595.21552	0.7
613.22809	19.4
614.23102	0.7
775.28009	33.6
776.28394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.5
57.03442	0.5
61.02906	0.7
64.61870	0.4
65.03951	3.3
67.05490	1.7
69.03427	3.4
69.18942	3.8
70.06596	4.7
71.01319	0.4
72.08162	0.6
73.02885	0.6
77.03925	0.6
78.04720	3.2
79.05479	1.9
81.03398	1.6
81.07021	0.8
82.04173	1.1
82.87868	0.4
84.04475	0.8
84.08142	1.2
85.02913	6.2
86.09683	1.6
91.05483	6.4
92.27446	0.4
93.03381	1.2
93.07033	0.6
95.04951	1.6
97.02927	2.1
97.06528	0.7
103.05483	3.5
105.03393	0.9
105.07003	1.4
106.04167	1.8
107.04980	3.0
108.02105	0.7
109.02873	0.7
109.10014	0.4
110.03645	1.5
110.07158	0.6
111.04456	0.8
114.03065	0.5
115.05463	6.8
116.06232	0.4
117.03365	1.2
117.07018	10.5
119.04939	5.9
119.08626	0.5
120.08103	8.2
121.06487	1.1
121.08418	1.9
122.03644	1.1
123.04434	7.2
124.05224	2.2
125.05936	1.2
127.03885	0.8
127.05429	1.5
129.07005	0.6
129.10205	0.6
131.04933	2.5
133.02866	1.1
133.06459	1.3
134.03535	0.6
135.04405	0.4
136.07584	0.6
137.02283	0.4
137.05980	11.3
138.03102	0.9
142.02618	1.4
143.04944	0.9
144.05695	1.1
145.02911	2.6
145.06497	14.1
146.03209	0.5
147.04402	5.8
147.07990	1.5
149.05978	1.3
151.03908	3.3
151.07512	2.2
152.04741	2.6
153.05457	1.7
155.04866	0.8
155.06017	5.0
155.07001	0.5
159.04439	0.6
160.05241	0.8
161.05995	1.6
163.03932	0.6
163.07526	1.5
165.05455	1.4
166.02698	0.4
167.07043	100.0
168.07387	1.2
171.06544	1.8
173.05998	24.7
174.06523	0.7
175.07541	2.3
177.05469	5.1
178.05858	1.0
179.07042	3.1
181.04959	64.3
182.05351	0.5
187.04047	0.5
187.07536	0.6
190.06268	0.7
191.07045	2.9
193.08569	1.2
201.05460	1.3
203.07025	3.5
205.08612	6.3
207.06546	0.7
207.10078	0.8
211.08714	0.5
217.08640	0.6
219.06538	1.6
221.08089	1.1
231.06538	1.5
233.08061	6.9
234.06787	0.8
235.07535	0.8
235.09647	6.1
237.09093	1.0
239.07288	0.6
250.06055	0.6
251.06993	0.7
263.06924	0.8
264.07849	0.6
265.08673	1.5
280.07349	0.7
282.09045	0.9
283.09799	0.9
293.08011	1.2
294.08777	0.7
295.09802	0.7
297.11246	1.5
298.11945	0.5
307.09610	0.5
310.08292	1.7
314.13849	0.8
315.12323	0.8
324.09677	0.5
325.10785	2.2
326.11618	1.2
327.12103	0.6
329.13785	0.6
339.12228	0.7
341.10349	0.8
342.10913	0.7
353.10379	1.4
355.11929	0.9
357.13315	8.1
367.11981	0.7
369.13391	0.5
385.12811	31.8
386.13229	1.4
387.14368	4.3
397.12903	1.5
399.14420	0.6
403.13556	2.0
415.13965	4.1
416.14578	1.2
417.15430	12.4
515.17511	0.7
535.19061	0.5
549.19324	0.8
565.20776	1.2
577.19379	0.6
595.21069	1.2
613.22821	17.9
614.23279	1.0
775.28009	35.4
776.28357	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2133
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
54.87271	0.2
55.05502	0.5
57.03439	1.8
59.50364	0.1
61.02926	2.2
63.53867	0.1
68.99794	0.2
69.03440	0.9
69.60493	0.3
69.60890	0.6
71.04996	11.4
73.02923	0.9
75.04490	1.0
81.03420	0.5
83.04987	2.5
84.08158	0.2
85.02909	19.0
87.04462	0.6
91.03958	1.6
93.03395	0.2
95.05027	0.2
97.02897	2.2
99.04478	0.4
103.03925	0.3
109.02877	0.7
111.00819	0.8
111.04443	1.2
112.41866	0.2
114.88690	0.2
121.02856	0.6
123.04462	0.2
127.03915	1.7
129.05484	6.1
137.02351	1.9
145.04956	1.4
147.06531	4.0
149.02356	0.4
153.01820	3.0
154.69838	0.2
155.04919	0.2
161.05994	0.3
163.03891	0.6
163.06018	1.0
165.01865	1.6
165.07545	0.1
166.02621	0.4
183.02855	0.6
183.04326	0.4
187.03871	0.4
201.05490	1.1
219.06563	0.2
229.02875	0.3
229.04964	3.1
247.06059	0.6
255.08664	0.5
257.04501	2.3
273.09692	0.2
274.04758	0.4
275.05563	0.2
285.03925	1.0
303.04996	100.0
304.05270	1.4
304.14789	0.2
309.11945	0.4
315.05026	0.6
327.04968	0.2
341.06860	0.2
345.06009	0.7
369.06070	0.6
447.09433	0.3
449.10583	0.3
465.10419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2138
Annotation	Quercetin 3-glucosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.05503	0.1
57.03442	1.4
57.03715	0.2
61.02929	1.4
63.22232	0.1
64.31650	0.1
64.31979	0.1
65.03915	0.2
67.03867	0.1
68.99768	0.3
69.03421	0.6
69.61800	0.6
69.62582	0.1
70.06587	0.6
71.01321	0.2
71.05000	8.1
71.05367	0.3
72.08128	0.3
73.02921	0.7
75.04455	0.3
76.32843	0.1
81.03383	0.3
83.04980	0.5
84.04472	0.1
84.08115	0.2
85.02912	11.9
86.06024	0.1
86.09687	0.2
87.04462	0.3
91.03969	0.8
93.03400	0.2
95.04940	0.2
97.02895	1.1
99.04416	0.3
103.20088	0.1
104.78044	0.1
108.01032	0.1
109.02853	0.5
109.03542	0.1
111.00793	0.7
111.04418	0.4
120.08021	0.1
121.02890	0.8
123.04377	0.2
127.03931	0.8
129.05492	3.2
133.06471	0.1
135.04396	0.3
137.02350	2.4
137.05957	0.1
145.02838	0.2
145.04935	0.4
147.06520	1.0
149.02362	0.3
152.07098	0.1
153.01839	2.5
161.05966	0.3
163.03946	1.3
163.05969	0.2
165.01845	1.5
166.02591	0.3
177.05450	0.3
183.03006	0.6
183.04288	0.1
187.03949	0.2
191.03401	0.1
195.02925	0.2
198.57101	0.1
201.05493	1.0
205.04892	0.1
207.02917	0.1
219.02939	0.1
219.06487	0.2
229.04985	2.9
232.44165	0.1
238.00793	0.1
239.03450	0.2
247.06012	0.6
255.08730	0.1
257.04456	2.5
258.04718	0.1
274.04788	0.7
275.05411	0.2
285.03970	1.1
287.05487	0.8
303.05002	100.0
304.05350	1.7
315.04977	0.2
343.33212	0.1
345.06073	0.4
369.06241	0.1
432.52573	0.1
447.08777	0.1
449.10764	0.4
465.10336	24.2
466.10559	0.5
611.15356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
56.96571	2.0
57.03440	0.7
57.07075	0.5
57.63328	0.3
61.50062	0.3
63.15036	0.3
63.94962	0.3
65.03930	0.9
67.05505	4.1
69.03423	1.6
69.07065	1.7
70.06594	1.2
71.01396	0.5
71.04997	0.6
71.51867	0.4
75.04459	0.3
77.03915	0.6
79.05495	5.4
81.03436	0.7
81.07062	26.1
82.07390	0.4
83.04983	0.8
83.08611	1.6
84.08149	0.5
84.96045	0.5
85.02914	2.7
86.09705	0.8
87.00837	0.4
91.05482	8.7
93.07047	14.2
94.57684	0.3
95.01328	1.2
95.04977	1.4
95.08614	18.9
97.02885	0.8
97.06522	2.2
97.10193	1.0
98.97586	6.2
99.04472	0.6
99.97961	0.4
102.05550	0.4
103.05470	0.8
105.01918	0.6
105.07037	23.8
107.05012	0.3
107.08600	17.6
109.06545	1.5
109.10155	5.8
109.10851	0.6
110.07187	0.5
110.97565	0.7
112.99158	0.9
113.02382	0.5
113.99411	0.4
115.05479	0.3
116.98664	1.0
117.07029	1.8
119.08587	58.7
120.08157	0.5
120.08912	0.4
121.06548	2.5
121.10149	30.0
122.10514	0.4
123.08072	4.4
123.11691	1.5
125.06007	0.4
125.09634	1.5
127.03942	0.8
128.06229	0.6
128.98621	0.5
129.06996	0.6
129.10190	0.3
131.00195	0.6
131.08562	2.6
133.10139	18.2
135.08086	2.3
135.11697	14.9
136.07669	0.4
137.09645	1.8
140.47942	0.3
140.98608	0.4
141.01837	2.6
142.07820	0.6
143.00224	0.4
143.08559	2.6
145.02867	0.9
145.08638	0.6
145.10115	2.8
147.08054	1.3
147.11699	9.3
147.12822	0.7
149.09615	1.1
149.13274	0.4
152.98700	0.5
157.10127	3.4
158.99666	2.8
159.02940	0.5
159.10471	0.7
159.11707	10.3
160.12352	0.5
161.09657	3.8
161.13263	35.2
162.13524	0.7
163.14897	0.5
169.10193	0.6
170.10898	0.3
170.99675	0.5
171.11700	1.1
173.01228	1.5
173.09625	0.6
173.13246	1.0
175.11209	1.6
175.14844	1.1
177.00734	1.3
177.05486	1.1
179.22964	0.3
182.99777	0.4
187.14819	0.6
189.00705	0.7
189.16389	100.0
190.16760	1.4
191.02287	0.5
197.13271	0.4
199.14825	5.0
201.00740	1.3
202.01210	0.4
202.98732	0.6
217.15889	27.8
218.16185	0.4
219.01796	2.9
220.02174	0.8
231.08566	0.9
235.16969	6.0
237.02768	2.6
238.03094	0.4
240.96906	0.4
244.99765	0.8
261.02783	0.7
262.03296	0.3
275.04453	0.8
277.14844	0.9
278.15213	0.4
279.03769	0.6
291.19669	0.4
301.14893	0.4
309.20609	21.3
310.20825	0.4
311.16632	0.6
316.98175	0.4
321.20502	1.3
329.17816	0.4
375.17960	1.0
393.19080	4.8
407.05075	0.5
421.18921	0.9
422.19415	2.0
463.19830	1.0
464.20712	1.7
485.07745	0.6
485.23593	0.9
501.14764	0.6
502.14914	2.0
521.23944	0.4
547.02582	0.6
548.03003	0.7
628.23096	0.4
741.47327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
55.05510	2.1
65.03927	0.7
67.45175	0.3
68.04681	0.7
68.05032	11.0
69.03416	0.8
69.07034	0.5
70.06591	5.1
70.16393	1.6
71.07323	0.4
72.08157	8.7
74.02438	1.7
79.05492	0.5
81.03416	0.9
82.06575	1.4
84.04488	0.9
84.08144	2.8
84.82085	0.3
85.02898	1.3
86.09708	2.1
89.03894	0.5
91.05472	4.6
93.03391	0.6
93.07039	0.5
94.06569	0.6
96.08129	0.5
97.08910	2.5
102.05517	0.4
103.05476	3.0
104.04966	0.8
105.07009	0.9
106.06536	0.8
107.04952	1.7
110.03648	1.1
110.07165	0.8
111.04436	1.5
115.05447	0.8
117.03397	0.8
117.05772	0.4
118.06535	1.6
119.04910	0.7
119.08601	0.4
120.08107	10.8
121.02876	0.9
121.06516	0.8
123.04432	0.7
124.00642	0.6
125.05985	0.8
129.06970	0.7
129.10222	1.1
130.06538	1.4
131.04994	0.9
133.06473	0.5
136.07588	1.1
137.05962	2.1
142.06502	0.6
144.08044	0.6
145.02838	1.7
145.06461	0.5
146.06000	5.1
147.04361	0.6
149.05936	1.1
151.03932	0.7
151.07573	0.6
153.05466	5.1
154.06618	1.1
155.07312	1.3
156.08107	0.7
158.08336	0.5
159.07964	0.5
161.05962	1.0
163.03911	0.9
166.06493	0.6
166.08640	1.3
167.07120	3.1
168.08157	0.5
170.06027	0.9
170.08363	0.5
175.07486	0.9
177.05490	1.7
178.05328	6.1
179.07024	0.4
181.04935	2.0
185.07176	0.5
188.07074	1.1
191.07048	0.9
191.08582	0.5
193.08838	1.7
194.09613	0.9
198.07928	0.5
200.07053	0.7
201.05447	0.8
202.07845	0.8
203.06920	0.5
203.08745	0.5
204.08064	0.6
205.08661	1.8
206.07954	0.5
206.09721	1.2
209.06996	3.0
215.08632	1.1
217.08865	2.2
218.09654	12.7
219.06244	0.4
219.10446	3.0
220.11201	9.3
223.07524	5.3
229.08751	0.5
230.09642	5.9
231.06438	0.9
231.10423	4.2
232.11232	11.6
234.12820	2.6
235.07448	0.5
235.09792	0.8
235.12323	1.3
241.08694	0.6
242.09589	2.8
243.10417	2.9
244.11218	21.6
245.11696	1.1
246.09171	15.3
246.12813	1.7
247.09587	1.1
247.12347	1.5
248.10733	9.7
248.12944	0.4
249.13914	1.4
254.09244	0.5
257.10788	0.9
258.09311	2.4
258.11325	2.2
259.09872	6.4
259.12347	13.1
260.10703	33.9
261.11133	1.1
261.13858	16.1
263.11850	1.4
269.10938	1.7
270.09244	2.0
270.11758	0.4
271.09250	0.4
271.12189	0.6
272.10730	5.1
274.08606	1.5
276.10010	0.5
276.15091	0.8
277.13382	7.8
278.11670	2.2
278.98935	0.4
282.08792	0.4
286.13443	1.3
287.11798	12.9
288.10220	3.7
289.13251	0.6
290.11758	32.6
291.12073	0.8
293.12808	2.2
295.09406	0.5
295.14407	0.9
298.08578	1.0
300.12137	0.8
304.14447	3.2
305.12854	40.7
306.13132	1.1
307.14417	8.9
308.09857	0.7
315.11328	0.8
316.09473	2.1
319.11893	0.7
322.15454	4.4
325.10773	2.4
326.11169	1.8
330.13321	1.1
332.14005	2.5
333.12338	21.0
339.12213	1.2
340.12579	1.4
350.14990	100.0
351.08759	0.6
351.15384	2.1
357.13232	2.5
358.13672	1.6
383.11374	1.1
387.14377	0.8
388.14514	0.6
416.13953	0.4
442.20389	0.4
449.21725	1.6
469.22321	1.0
497.21863	8.4
498.20239	7.4
499.20212	0.5
500.23090	0.7
515.22925	37.0
516.23199	1.2
548.19354	0.7
576.18414	0.8
600.21252	5.7
614.29169	1.0
665.84052	0.4
719.28357	0.4
747.27704	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
57.03435	0.9
63.02367	0.9
65.03616	1.3
65.03944	20.1
65.23148	0.7
66.76260	0.7
66.76633	0.6
67.05509	3.8
67.28497	0.7
67.86417	0.7
69.03421	2.6
69.38556	5.2
70.06252	1.0
70.06596	8.6
72.08155	3.3
78.04707	1.0
79.05487	3.0
81.03398	2.2
81.07074	0.8
82.04197	3.5
84.04501	1.8
84.08150	4.6
84.96041	0.7
85.02908	6.4
86.06106	0.6
86.09712	3.2
89.03905	1.3
91.05491	8.5
93.03414	13.7
93.07047	2.2
95.01334	2.2
95.04958	5.6
97.02875	1.7
97.06519	3.0
102.91611	0.7
103.05447	4.7
105.03403	1.0
105.07034	3.7
106.04183	1.8
107.04962	6.7
108.02092	1.3
110.03674	18.1
110.07167	1.1
111.03717	1.3
111.04456	23.2
115.05471	2.9
117.03390	6.8
117.07014	1.3
118.04126	1.2
119.04950	6.7
119.08554	0.8
120.08130	6.3
121.02875	15.7
121.03769	1.5
121.06499	4.8
123.04478	5.5
123.08035	0.7
124.05225	1.0
125.05997	21.7
127.00262	0.8
127.03945	1.0
128.06291	0.9
129.07008	1.1
129.10243	3.0
130.04144	0.9
131.04941	6.5
133.02856	5.8
133.06502	3.1
134.03596	0.8
134.05997	1.4
135.04404	2.1
136.07602	1.4
137.05995	13.8
138.03091	3.4
138.06265	0.7
139.07501	0.8
140.04652	1.4
142.02661	0.9
143.04900	1.2
144.05669	1.3
145.02849	12.8
145.06499	5.3
146.03603	0.9
146.06033	1.6
146.07172	1.0
147.04411	6.3
147.08075	1.9
148.05194	1.6
149.05994	7.1
151.03909	2.3
151.07559	4.5
152.04718	0.9
153.05478	100.0
155.07077	1.2
157.06523	0.8
158.06044	0.9
159.08044	3.8
160.05237	2.5
161.05981	7.2
162.06769	1.1
163.03909	3.4
163.07567	3.1
164.07114	1.1
165.05502	2.8
165.06894	1.5
167.07059	19.2
167.08382	1.0
171.06503	2.1
172.05124	0.8
173.06042	2.0
174.06757	1.7
175.03969	2.1
175.07547	7.1
176.04562	1.0
177.05487	20.0
177.06848	0.8
177.09108	1.3
178.06104	1.0
178.07629	0.9
179.07036	4.3
179.08522	1.8
181.04965	43.8
181.08475	1.5
183.06538	3.7
183.08034	1.5
187.07568	5.6
189.05455	1.9
191.07022	4.4
191.08624	2.1
192.07771	1.1
193.08585	1.2
195.06540	1.4
195.08128	3.1
197.09610	1.2
198.06856	0.9
199.07541	2.3
201.05438	4.1
202.07790	0.9
203.06967	1.5
203.08656	1.6
204.07852	1.4
205.06581	1.5
205.08495	1.4
206.07314	1.5
207.06479	1.9
207.08110	2.4
208.08870	1.3
209.08031	9.7
210.06770	2.2
211.07607	2.0
215.06883	1.1
216.07796	4.7
217.08583	1.5
218.07736	1.6
219.06419	2.1
219.08371	4.4
220.08867	2.1
221.06030	2.1
221.09689	2.2
222.06816	1.8
223.04184	3.5
223.07591	3.3
223.11166	0.9
224.08328	1.3
225.09106	3.1
226.06277	3.2
229.08650	2.9
231.06439	1.5
233.05978	1.6
233.08160	2.5
234.06715	2.0
235.07518	3.4
235.09718	2.5
236.08347	3.9
237.09207	3.6
238.06250	2.0
239.07135	5.5
239.10831	1.9
240.07820	1.1
246.06862	1.0
247.07492	2.6
247.09727	12.2
248.08223	1.8
249.05415	1.6
249.09138	2.5
250.06206	0.8
251.07069	2.6
251.10773	5.1
252.08005	1.7
253.08614	12.7
254.09250	3.7
255.10271	1.6
263.07004	1.7
264.07809	4.4
265.08640	5.3
266.09406	2.0
267.10144	3.4
269.11682	5.5
271.09601	0.9
275.06903	1.2
276.07809	2.1
277.08603	2.9
278.09460	1.4
279.10196	4.4
280.07492	0.8
280.10828	1.0
281.08167	2.5
281.11649	1.5
282.08890	3.6
283.09698	2.7
289.08566	1.3
291.10077	1.3
292.07373	1.8
293.08051	2.5
294.08887	2.6
295.09732	4.0
296.10461	1.6
297.11194	10.8
299.13110	1.0
307.09644	15.3
308.10413	2.4
309.11145	3.4
310.08185	1.4
310.11929	1.2
311.09186	1.4
311.12805	1.5
313.10669	1.2
315.12079	0.9
319.09641	2.0
321.11368	1.0
323.09302	1.1
323.12839	1.6
324.09827	1.1
325.10721	57.7
326.11298	2.5
327.12173	2.7
329.13892	2.0
336.13168	0.9
337.10739	2.8
339.12302	43.3
340.12811	2.7
341.13834	6.1
351.12347	7.9
353.10107	1.2
353.13922	1.7
355.11880	4.9
357.13351	74.1
358.13779	2.6
359.15100	0.8
369.13306	10.4
370.14105	2.2
385.12616	1.6
387.14450	12.1
401.12378	3.6
415.13895	21.3
417.15387	1.3
433.14896	3.5
489.19028	3.0
501.18759	0.9
518.18280	1.0
769.13251	1.0
769.27618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
65.03616	1.1
65.03943	17.7
67.05502	2.1
69.03423	1.6
70.06608	4.2
70.76408	1.3
72.08144	1.1
75.04458	1.0
78.04705	0.8
78.13539	0.5
79.05486	1.7
81.03425	1.4
82.04186	2.8
84.04512	1.1
84.08132	2.2
85.02917	5.0
86.09709	2.2
89.03915	1.3
91.05489	6.0
93.03410	15.6
94.04179	0.6
95.01329	1.6
95.04974	2.9
97.02871	1.0
97.06536	0.7
103.05444	3.2
105.03403	0.7
105.04515	1.1
105.07024	2.4
106.04186	1.5
107.04962	4.4
108.02106	1.7
109.02878	0.6
110.03664	16.7
111.04453	17.6
115.05476	1.7
116.07014	0.7
117.03388	2.1
117.07034	1.1
118.04202	0.8
119.04956	5.0
119.08604	0.7
120.08118	3.7
121.02875	14.9
121.06527	2.9
122.03671	0.9
123.04426	2.0
123.62251	0.5
125.05995	21.7
127.03988	0.9
128.06218	0.7
129.06987	1.6
129.10266	1.4
131.04938	2.6
131.08472	0.6
133.02852	4.9
133.06516	2.3
134.06041	1.3
135.04420	2.0
137.05960	7.7
138.03137	2.5
139.08551	0.6
142.02615	0.8
144.05702	1.1
145.02849	4.1
145.06482	2.7
146.07187	0.7
147.04425	4.8
147.08063	1.1
149.02391	0.7
149.05948	3.9
151.03986	1.2
151.07520	3.7
153.05472	100.0
154.05821	1.2
155.07077	0.7
155.08430	0.8
157.06458	0.7
158.07281	0.8
159.04498	0.7
159.08052	4.3
160.05223	1.4
161.06000	5.4
163.03949	2.9
163.07530	2.2
165.05518	2.0
165.06929	1.5
167.07045	16.7
171.04355	1.0
173.06013	1.3
174.06807	1.5
175.03900	0.9
175.07524	7.8
176.04694	0.7
176.08315	0.8
177.05475	8.9
178.07709	1.1
179.07117	3.6
179.08485	1.1
181.04971	24.6
181.06372	1.2
181.08566	0.8
182.05235	0.7
183.06567	1.2
186.06715	1.1
187.07578	4.6
189.05505	0.8
189.07010	0.9
189.08893	0.6
190.07814	0.9
191.07001	3.4
191.08606	1.5
193.06635	1.2
193.08630	0.8
194.07257	1.4
195.06532	0.6
195.08095	2.9
196.08914	0.6
199.07532	1.7
201.05493	2.0
203.06973	1.1
203.08672	0.9
204.07816	1.2
205.06548	1.8
205.08598	1.7
206.07240	0.9
207.06505	1.7
207.08099	2.1
208.08894	2.0
209.07993	4.9
209.09480	0.7
210.06778	1.6
211.07524	1.6
213.09076	0.7
216.07809	5.5
217.08549	1.5
218.07195	1.5
219.06296	1.3
219.06755	0.8
219.08185	3.9
220.08864	2.7
221.06110	1.1
221.07944	0.7
221.09834	0.9
222.06731	1.3
223.04283	2.2
223.07559	2.6
224.08347	1.6
225.09114	3.2
226.06247	2.2
226.09871	0.8
229.08632	2.5
231.08185	1.0
233.06059	0.9
233.07909	1.0
234.06720	1.8
235.07521	3.0
235.09605	1.1
236.08284	4.0
237.09085	2.5
238.06209	0.8
239.07063	4.8
239.10635	2.9
240.07899	1.0
241.08481	1.0
247.07486	1.6
247.09697	13.8
248.08324	1.9
249.05574	0.9
249.09114	1.5
250.06351	0.8
250.09843	1.0
251.07024	2.7
251.10632	6.2
252.07843	1.6
253.08638	11.9
254.09474	4.1
255.06680	0.7
255.10149	1.4
257.07947	0.6
259.07520	1.0
261.09091	1.8
262.06332	0.8
263.07086	2.0
263.10736	0.8
264.07831	5.5
265.08603	4.2
266.09360	1.0
267.06793	0.6
267.10110	2.6
268.10880	0.6
269.11795	6.4
270.08856	1.0
275.07047	2.0
276.07867	2.3
277.08563	1.9
278.09363	1.2
279.06955	0.7
279.10150	3.5
281.08215	2.2
281.11652	1.3
282.08893	3.6
283.09787	2.7
283.12891	0.7
287.12692	0.8
289.08524	1.1
291.10178	1.1
292.07294	1.6
293.08173	1.5
293.11456	0.6
294.08948	1.8
295.09573	3.2
296.06842	0.7
296.10349	1.7
297.11191	9.2
299.09058	0.8
300.12256	0.9
306.08823	1.0
307.09641	14.6
308.10321	1.8
309.08072	0.6
309.11227	3.1
310.08264	0.8
310.11719	0.8
311.09125	1.5
311.12790	1.1
313.10739	1.1
319.09732	2.1
321.11197	1.9
323.12762	0.9
324.10034	1.3
325.10718	54.6
326.11060	3.3
327.12210	1.3
329.13895	1.4
337.10721	3.0
337.14322	1.0
339.12274	41.6
340.12756	2.5
341.13852	5.9
351.12302	6.6
353.13715	1.4
355.11774	2.5
357.13333	71.7
358.13779	1.6
359.15128	0.8
369.13364	12.2
370.14023	2.1
371.14771	0.9
387.14374	10.0
401.12292	3.2
403.13855	0.8
415.08743	1.1
415.13840	10.4
433.14868	2.2
437.32306	0.6
489.19162	3.1
501.19009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01862	1.1
55.05502	0.8
61.02910	0.5
65.03627	0.7
65.03944	11.3
67.05499	1.5
69.03418	2.0
69.25568	5.2
70.06598	6.6
72.08139	2.4
75.04462	1.0
75.73481	0.6
78.04708	1.2
79.05489	3.6
81.03414	1.7
81.07060	1.0
82.04176	1.7
84.04478	1.2
84.08123	2.5
85.02908	3.4
86.09683	2.5
89.03951	0.6
91.05485	5.1
93.03397	7.9
93.07029	1.2
95.01299	1.8
95.04966	2.1
97.02887	1.5
97.06509	0.8
98.20798	1.2
103.05466	4.4
105.04507	0.8
105.07028	4.8
106.04190	3.3
107.04955	7.1
108.02158	1.0
110.03659	11.2
110.07182	1.1
111.04445	12.3
115.05439	2.5
116.06257	0.7
117.03396	1.4
117.07014	1.2
119.04931	1.7
120.08099	1.0
121.02848	1.0
121.06509	3.7
123.04443	3.2
124.05192	1.4
125.05997	13.3
128.06207	0.6
129.06995	3.1
129.10211	1.7
130.04144	0.8
131.04916	4.8
131.08510	0.8
132.05699	1.1
133.02856	0.7
133.06491	3.0
134.03612	1.4
135.04402	1.7
136.05179	0.9
136.07549	0.6
137.05975	5.1
138.03171	1.3
140.04630	0.6
140.50388	0.6
144.05690	1.3
145.02849	2.0
145.06456	1.3
146.07269	0.6
147.04395	1.7
147.07982	1.1
149.05988	7.1
151.03906	1.0
151.07533	1.7
152.04689	1.2
152.97800	0.7
153.05472	57.0
155.04947	1.0
156.05663	0.6
159.08067	5.4
160.05203	0.6
161.05998	4.8
162.06715	0.7
163.03954	2.9
163.07555	2.9
165.07065	1.3
167.07047	32.6
168.07350	0.8
171.04443	1.4
172.05098	1.4
173.05974	0.9
175.03893	0.7
175.07541	6.1
177.05498	8.8
177.06940	1.1
178.05952	0.9
178.07710	1.3
179.07097	1.1
179.08546	0.7
181.04941	2.6
181.08565	3.1
185.06009	2.1
186.06746	2.4
187.07516	8.8
189.05457	3.1
189.07036	2.0
190.07814	1.9
191.07018	4.5
191.08591	3.1
192.29462	0.6
193.06662	0.8
193.08611	1.3
194.07280	0.8
195.08066	0.9
198.06837	1.0
199.07526	3.0
201.05443	1.0
202.07776	2.0
203.08606	2.7
205.06511	2.6
205.10243	1.1
206.07278	2.0
207.06517	1.7
207.08110	2.1
208.08836	1.4
209.08073	14.4
209.09940	1.0
211.07643	0.8
214.06226	1.4
215.06955	1.0
216.07840	7.5
217.06599	0.9
218.07292	3.1
219.08086	8.0
220.08865	4.7
221.06013	1.8
221.09651	3.0
222.06755	1.1
223.07599	0.8
229.08586	7.6
230.07318	0.7
231.08084	2.0
232.09010	1.1
233.05972	1.8
233.09717	2.9
234.06776	3.7
235.07512	5.9
236.08278	4.6
237.09012	1.7
239.07039	1.3
245.05894	1.0
246.06798	1.9
247.07571	6.1
248.08342	4.0
249.05467	1.7
249.09125	6.0
250.06300	1.8
250.09845	1.3
251.07024	2.0
251.10684	10.6
253.08553	1.6
257.05945	1.1
259.07632	1.4
260.08347	1.0
261.05475	1.3
261.09164	3.9
262.06183	1.8
263.07104	3.5
263.10809	1.4
264.07788	9.3
265.08557	7.9
266.09198	0.8
275.06851	2.8
276.07855	6.4
277.08615	5.6
278.09357	3.7
279.06894	1.2
279.10062	7.7
280.07111	0.7
280.11102	1.1
281.08160	2.4
281.11758	3.7
287.07019	0.6
288.07745	1.2
289.08496	2.1
291.06866	1.1
291.10181	3.7
292.07269	3.4
293.08054	5.1
293.11621	2.0
294.08899	1.8
295.09671	0.9
296.10413	0.8
304.07394	1.8
305.08157	2.4
306.08774	1.6
307.09659	30.8
308.10309	4.8
309.07968	1.0
309.11154	5.1
310.11929	0.9
311.09210	0.9
311.12796	2.5
319.09671	6.4
320.10431	1.7
321.07715	1.0
321.11249	3.8
323.12790	4.3
324.09961	2.0
325.14322	1.2
326.11670	0.8
337.10672	2.0
339.12271	100.0
340.12616	3.2
341.13837	13.9
350.22928	1.1
351.12250	18.8
351.24438	1.7
352.12933	2.7
353.13864	2.5
359.23209	5.6
359.73508	3.2
360.23486	1.1
369.13242	3.3
370.14340	0.8
417.16125	0.7
483.56656	0.8
644.40857	0.6
745.74469	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
54.00207	0.9
55.05516	3.4
57.03445	7.5
57.07072	1.2
67.05510	6.2
68.74948	0.9
69.03429	3.5
69.07053	2.4
69.42257	3.7
69.42667	3.1
70.06594	2.7
71.01352	1.1
71.05000	15.4
72.63610	1.0
73.02956	1.0
77.30953	0.9
78.55807	1.0
79.05520	5.8
81.07062	26.0
83.08624	1.5
84.08160	1.1
85.02916	5.2
86.09708	2.0
89.06041	9.0
91.05492	10.3
93.07053	14.4
95.04980	2.9
95.08617	15.7
97.02901	2.2
97.06534	1.1
97.10197	1.1
105.07037	23.7
107.08612	17.6
109.10180	6.3
113.02372	1.7
117.07023	2.2
119.08594	56.1
120.08129	1.0
121.06566	2.9
121.10155	16.9
123.08128	3.2
125.09628	1.3
127.11266	1.3
131.08577	3.5
133.10147	15.5
135.08087	1.8
135.11711	12.6
137.09645	1.4
139.62379	1.0
141.01823	2.8
143.07036	1.5
143.08601	2.1
145.08611	100.0
147.11708	9.4
149.13252	2.2
150.11319	1.0
157.10135	3.1
159.11700	9.7
161.09634	3.2
161.13263	25.2
171.11673	1.2
173.13225	1.3
175.11111	1.6
175.14854	1.7
177.05467	2.3
181.35135	1.0
185.42876	1.2
187.14925	1.4
189.16400	63.1
190.16753	1.7
199.14836	2.9
203.18141	1.0
217.15884	23.4
233.11583	1.0
247.08154	2.1
291.19543	13.8
321.11826	11.6
361.23904	2.3
379.24850	9.6
393.19077	6.5
467.22882	2.0
631.27637	1.1
666.88055	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03939	0.2
55.01865	0.2
55.05513	0.4
57.03440	1.8
59.05014	0.2
61.02931	2.3
68.99820	0.4
69.03428	0.8
69.62408	0.7
70.06593	1.1
71.01355	0.2
71.04996	11.3
71.26887	0.1
72.08170	0.3
72.20599	0.1
73.02924	0.8
75.04485	1.0
79.05499	0.2
81.03419	0.5
83.04983	2.0
84.04487	0.1
84.08167	0.2
85.02908	19.5
86.09718	0.4
87.04470	0.5
91.03956	1.8
91.05505	0.2
91.14519	0.1
95.04939	0.2
97.02895	2.6
99.04459	0.5
103.03957	0.2
105.03391	0.2
107.04948	0.5
109.02895	0.4
111.00809	0.4
111.04459	1.3
112.96003	0.1
112.96815	0.1
115.57505	0.1
121.02868	1.9
127.03922	1.7
129.05486	6.1
129.10262	0.2
131.08589	0.3
133.02852	0.4
136.07622	0.2
137.02371	0.6
137.06000	0.2
145.02852	0.2
145.04970	1.4
145.06122	0.2
145.06496	0.2
147.04439	0.4
147.06520	3.1
153.01834	2.5
157.06502	0.3
161.05936	0.2
163.03877	0.3
163.06007	1.3
165.01859	1.4
165.07545	0.2
181.05029	0.1
183.02930	0.7
185.05957	0.3
189.05495	0.2
192.83907	0.1
203.07077	0.2
207.13765	0.2
209.11716	0.3
213.05374	0.9
213.07262	0.1
231.06572	0.6
241.04884	0.8
255.08710	0.6
258.05347	0.6
259.06079	0.3
273.09674	0.3
287.05502	100.0
288.05832	1.8
299.05453	0.5
303.04871	0.6
309.11911	0.2
329.06525	0.6
353.06534	0.5
413.09088	0.2
415.14322	0.1
431.09512	0.3
449.10818	1.9
471.25314	0.2
608.62817	0.2
697.76837	0.1
757.27496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01860	1.4
55.05510	1.0
57.03423	0.9
59.71741	0.6
65.03947	11.1
67.05502	1.4
69.03423	2.2
70.06596	7.1
70.25040	0.6
71.04988	1.0
71.51984	0.9
72.08154	2.4
78.04703	1.8
79.05485	3.0
81.07026	0.9
82.04190	3.0
84.08169	4.3
84.08603	1.0
85.02904	3.2
86.09700	2.1
89.03913	1.4
91.05495	4.8
93.03410	6.4
93.07038	0.9
95.01305	1.8
95.04979	1.4
97.02903	1.8
97.06541	1.2
100.11269	0.7
103.05459	4.3
105.07039	4.7
106.04175	2.4
107.04983	7.1
108.02076	0.9
110.03669	12.2
110.07162	1.5
111.04449	11.9
115.05479	2.0
117.03383	1.4
117.07011	1.8
119.04938	1.3
119.08526	0.8
120.08115	1.9
121.02840	0.8
121.06532	3.9
123.04429	3.4
124.05209	1.2
125.06007	14.3
128.06235	2.1
129.07019	3.4
129.10228	1.1
131.04942	5.3
131.08548	0.9
132.05678	1.1
133.06517	3.6
134.03613	0.9
134.06021	0.9
135.04407	1.6
137.05981	4.5
143.04893	1.2
144.05684	1.8
145.02846	2.3
145.06490	1.1
145.62239	0.7
146.07309	1.3
147.04414	2.4
147.08049	1.9
148.05177	0.7
149.06023	6.2
151.03857	0.8
151.07553	1.9
152.04742	0.9
153.05475	56.9
155.04945	0.9
157.06396	0.8
159.08051	3.7
160.05138	1.5
161.05972	4.5
161.09607	1.0
163.03926	4.2
163.07520	2.9
165.05470	1.4
165.06798	0.9
167.07059	31.5
169.06496	1.2
172.05266	1.4
173.05986	1.1
175.07545	6.2
177.05467	8.4
178.07669	1.4
179.07083	1.9
181.04939	2.6
181.06445	1.0
181.08609	3.2
184.05266	1.2
185.05959	1.8
186.06789	3.0
187.07555	8.5
189.05461	3.4
189.07079	1.8
190.07803	2.0
191.07021	3.2
191.08586	4.3
192.09271	0.7
193.06609	1.0
193.08601	1.7
194.07376	1.2
195.06442	0.9
195.08081	0.7
198.06769	1.0
199.07558	3.1
202.07791	2.5
203.08563	2.9
205.06531	2.3
205.08459	0.7
205.10255	1.2
206.07265	2.1
207.06421	1.1
207.08156	1.6
208.08786	0.8
209.06311	1.2
209.08104	12.1
214.06406	1.5
215.06952	1.7
215.08707	1.6
216.07831	9.3
217.06458	1.5
218.07286	3.9
219.08121	7.3
220.08803	3.9
221.06055	2.1
221.09637	3.5
222.06686	1.5
223.07439	0.9
228.03177	0.9
229.08598	5.7
230.07321	0.8
231.08101	2.5
232.08878	1.1
233.06026	1.8
233.09602	3.1
234.06764	2.6
235.07497	5.0
236.08321	6.0
237.09224	2.0
245.06110	1.8
246.06879	2.9
247.07544	5.6
248.08380	3.8
249.05452	1.6
249.09140	5.0
250.06206	0.9
250.09901	1.7
251.07100	2.6
251.10695	13.1
252.07761	0.9
253.08560	1.6
259.07605	1.6
260.08209	0.9
261.05548	1.7
261.09106	3.3
262.06232	1.5
262.09991	0.8
263.07104	3.1
263.10788	1.5
264.07813	11.9
265.08572	7.0
266.09259	1.0
267.09903	0.9
275.07040	3.1
276.07834	6.3
277.05298	0.8
277.08643	6.1
278.09375	3.2
279.10135	7.1
280.10947	1.2
281.08301	1.6
281.11673	3.5
289.08600	2.8
290.09442	1.2
291.10168	2.3
292.07281	3.5
292.10611	1.4
293.08136	5.2
293.11426	1.5
294.08737	1.7
295.09583	1.5
296.10303	0.7
304.07343	1.9
305.08057	1.8
306.08829	2.3
307.09656	35.3
308.10419	5.9
309.07938	0.9
309.11087	4.9
311.12720	3.8
319.09622	5.4
320.10519	1.4
321.07758	1.0
321.11279	2.3
323.09433	0.9
323.12576	3.9
324.09836	2.2
325.14157	1.0
336.10101	1.0
337.10861	1.6
339.12286	100.0
340.12811	2.8
341.13831	14.2
350.22763	1.3
351.12283	20.2
352.13013	3.5
353.13824	3.0
359.23386	6.0
359.73386	2.3
369.13336	2.8
482.11108	0.7
529.18579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.3
55.05510	4.5
57.03446	0.9
57.07082	11.1
62.06102	1.1
67.05510	7.2
69.07081	5.7
71.08645	7.3
71.53542	1.0
73.94434	0.8
78.08900	0.7
79.05505	4.4
81.07060	26.0
83.04987	2.5
83.08620	3.8
84.18533	0.7
85.10166	3.9
91.05490	2.4
91.07177	0.7
93.07063	4.5
94.89690	0.7
95.08620	11.9
97.10181	1.1
105.07039	2.1
105.79879	0.7
107.08609	4.6
109.06541	8.7
109.10143	5.4
111.04448	17.0
119.08588	3.9
121.10153	4.6
123.08096	1.6
123.11699	2.4
125.05145	0.9
125.05991	5.2
131.08601	2.1
133.10130	3.7
135.08081	4.2
135.11684	5.6
137.05986	100.0
137.13266	2.9
143.08580	1.3
145.10132	1.4
147.08054	1.4
147.11656	6.5
149.09659	4.5
149.13257	1.7
151.07558	3.0
157.10162	2.1
159.11734	1.8
161.09612	4.7
161.13295	2.3
163.11218	2.6
165.09103	2.7
169.04733	1.0
171.11713	1.0
173.13266	0.8
175.11200	5.5
175.14809	1.3
177.12827	0.9
179.10683	2.4
184.07271	1.2
189.12711	1.2
193.12289	1.2
203.17969	8.0
213.16438	3.2
221.19012	2.4
231.17480	9.3
235.60503	0.8
241.15950	1.8
249.18573	6.1
251.81383	0.8
277.18005	45.4
282.27951	2.6
293.13165	0.9
295.19073	7.1
313.23853	0.5
313.27350	15.4
320.22180	5.7
351.21725	10.5
406.85684	0.9
589.44659	91.4
590.44617	2.9
607.45728	20.8
730.46350	3.8
748.46472	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	752.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03739	1.1
53.03947	11.5
55.01871	7.5
55.05515	9.5
57.03425	3.6
61.02919	7.1
65.03941	3.9
67.05508	29.2
68.99791	3.6
69.03432	30.5
69.07064	9.4
69.81763	3.0
69.82183	2.4
70.06594	4.6
70.66528	0.9
71.04989	3.4
72.08150	1.6
73.02908	6.6
79.05494	21.2
81.03422	33.0
81.07056	54.3
83.05001	1.5
83.08622	2.9
84.08137	2.4
85.02909	77.8
86.09708	2.3
87.00832	28.7
91.03962	3.0
91.05480	24.9
93.07045	52.9
95.04965	4.4
95.08611	68.7
97.02892	30.5
97.06526	1.3
97.10159	2.4
98.21507	1.3
99.04455	15.6
103.05447	1.2
105.01874	27.7
105.04516	1.8
105.07035	57.2
107.04956	2.0
107.08596	77.4
108.08900	1.0
109.02139	1.8
109.02884	37.1
109.06535	2.2
109.10159	56.9
111.08124	1.4
115.03920	2.0
117.01830	5.0
117.03374	1.5
119.06087	1.8
119.08584	44.7
120.08115	1.5
121.09325	1.7
121.10155	21.5
123.04414	1.9
123.11705	11.3
127.03923	63.7
129.01848	4.5
129.10260	1.3
131.08551	2.3
133.10132	28.4
133.11096	2.2
135.04439	1.5
135.10701	1.8
135.11697	22.7
137.06068	1.3
145.02896	2.4
145.04958	24.1
145.10135	4.6
147.02872	3.6
147.11694	50.9
148.12202	1.1
149.13263	2.7
151.11142	2.6
157.10126	1.6
159.02902	20.2
159.11719	4.1
161.13264	15.7
163.03925	7.1
163.14835	7.4
164.04204	1.5
167.07025	1.1
169.04945	1.1
175.14841	8.6
177.05499	3.1
185.13199	1.4
187.14847	1.1
189.03922	2.7
189.16466	2.0
201.05690	1.1
201.16377	3.2
203.17960	100.0
204.18370	1.3
213.03947	8.7
221.19043	4.3
231.05054	16.8
249.06189	4.8
273.05978	5.0
284.09949	1.3
311.19867	1.4
339.07156	1.3
357.08252	1.2
412.38193	1.1
425.41302	1.0
433.22464	1.3
438.60248	1.0
443.08240	1.5
461.09085	2.3
486.26990	5.4
516.44543	1.2
528.40820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03253	1.1
53.03952	2.6
55.01879	2.2
55.05501	4.9
57.07064	1.6
57.87095	1.1
65.03936	2.8
67.05511	10.1
68.43906	1.0
68.99789	1.5
69.03423	1.8
69.07072	10.2
69.17968	4.2
69.18390	7.4
73.02902	1.3
73.58598	1.1
77.03938	2.1
78.04718	2.0
79.05499	10.6
81.03409	4.5
81.07066	13.9
82.04194	1.3
82.07401	1.9
83.08604	2.8
85.02908	7.0
86.09729	1.6
91.05485	14.8
91.06019	1.9
93.03403	1.4
93.07043	12.0
94.07394	1.8
95.01364	1.0
95.04961	4.1
95.08614	22.7
96.08936	3.8
97.02873	2.6
97.06520	2.8
97.10132	1.8
97.62038	1.2
101.02376	2.8
103.05470	18.8
105.03374	2.3
105.04512	1.8
105.07039	21.9
106.04145	1.5
106.07377	3.7
107.04964	10.0
107.08607	15.3
108.08942	3.1
109.10159	12.4
110.03639	1.5
110.10490	2.7
111.04443	2.0
113.02388	3.1
115.05444	8.3
117.03358	1.6
117.07033	10.8
118.04134	4.0
119.04955	3.1
119.08595	22.3
119.09425	0.7
120.08923	4.0
121.06515	31.0
121.10150	13.8
122.03690	2.2
122.10480	3.3
123.04417	5.3
123.11757	5.3
124.05215	2.5
125.05996	4.3
129.07007	2.7
130.04152	1.2
131.04933	15.8
131.08562	5.2
132.05702	2.0
133.02856	32.3
133.06523	7.8
133.10136	17.0
134.10442	3.8
135.11702	7.3
136.07582	6.7
136.12006	2.0
137.05978	18.3
141.07053	1.4
143.04968	2.1
143.08549	1.3
144.05693	3.7
145.02792	1.8
145.06490	11.9
145.10123	5.8
146.03603	1.1
146.05923	1.2
146.10474	2.0
147.04359	1.2
147.08037	2.1
147.11681	13.8
148.05203	7.4
148.12029	3.7
149.05994	6.0
149.13281	8.6
150.13611	2.1
151.03940	2.7
151.07518	4.7
152.04642	2.4
153.05472	5.7
155.06017	2.0
156.05679	1.6
157.06444	1.6
157.10147	1.4
159.02887	2.0
159.08083	2.9
159.11705	4.7
160.05203	6.6
160.12006	1.2
161.06003	10.5
161.13274	11.3
162.13612	3.3
163.07536	13.6
163.14832	12.1
164.07077	15.6
164.15164	4.5
165.05493	9.7
167.07043	100.0
171.06558	1.8
173.04475	1.3
173.05988	23.9
173.13203	1.7
174.06734	1.5
175.07553	10.6
175.14832	28.1
176.04694	1.4
176.15163	10.4
177.05478	4.4
177.09119	1.4
177.16409	4.5
178.16754	2.4
179.06975	1.9
181.04961	63.1
183.06506	1.9
187.07555	5.2
187.14839	6.6
188.04616	1.5
188.08353	2.2
188.15225	2.8
189.07425	1.2
189.09064	6.0
189.16382	12.7
190.06276	6.9
190.16690	4.1
191.07028	66.1
191.17967	13.4
192.18396	6.5
193.08566	2.5
195.06502	2.7
201.09175	7.1
201.16412	4.9
202.06238	1.9
202.16721	2.0
203.07031	20.2
203.16100	2.1
203.17966	34.6
204.18297	16.1
205.08618	16.7
207.08272	1.5
207.10112	3.2
209.07982	2.8
213.16541	1.4
215.17984	4.8
217.08592	13.4
217.19456	1.8
219.10132	7.7
223.07600	1.2
227.98610	1.3
228.18436	1.4
229.19530	1.4
231.06506	1.5
231.21043	2.1
233.08047	10.5
234.06760	2.2
235.07576	2.8
235.09677	7.5
241.08611	2.3
245.08072	2.1
247.07518	1.7
249.09058	2.4
249.11292	3.5
253.08485	1.5
257.08304	1.2
257.22720	1.3
263.06601	1.9
263.09149	26.0
264.07904	1.7
265.10886	1.7
269.22610	1.3
277.08545	1.5
279.10144	2.1
291.10031	2.7
293.08292	1.7
293.11566	1.6
295.09534	1.8
297.11374	1.9
299.09238	1.6
300.12393	1.6
307.09671	3.3
311.08997	1.2
314.11472	3.3
315.12372	1.5
321.11139	2.3
322.08429	1.5
325.10718	3.7
329.10245	6.9
330.13226	2.4
331.11716	1.5
333.11429	1.8
337.10699	3.5
338.11194	1.2
339.12289	2.0
351.12183	1.3
353.13904	9.8
357.13458	6.5
365.13937	11.6
367.15506	1.9
369.13257	3.6
371.14987	1.5
383.14874	3.2
385.12668	12.7
385.16824	1.8
387.14130	7.1
393.35059	3.7
394.35443	8.3
399.14478	11.9
413.15930	5.9
417.15451	76.1
418.15469	2.2
478.16116	1.6
531.19995	1.6
549.20874	2.0
730.28955	1.4
748.39050	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	748.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01871	2.9
55.05480	0.6
61.48318	0.6
65.03944	5.5
65.17204	0.5
67.05488	1.6
69.03404	1.4
69.64795	1.0
69.65211	3.0
69.98855	0.5
70.06589	3.8
72.08144	1.3
75.04459	1.8
75.46069	0.6
76.02194	0.7
77.03899	1.4
78.04697	2.7
79.05480	4.3
80.35490	0.5
81.03391	2.2
82.00573	0.6
82.04180	1.2
84.08138	1.2
85.02904	5.2
86.09686	1.4
89.03925	1.5
89.47531	0.6
91.05476	11.0
93.03417	7.5
93.07036	2.9
94.04224	0.7
94.61288	0.6
95.04981	4.9
97.06506	2.4
98.54461	0.6
99.04419	0.6
101.06052	0.8
103.05468	19.8
105.03388	1.8
105.04548	0.7
105.07037	7.2
106.03484	0.8
106.04174	13.4
107.04314	0.7
107.04961	9.9
109.06486	1.0
110.03626	1.8
111.04430	1.1
115.05461	5.3
117.03405	0.7
117.07038	4.1
118.04166	4.4
119.04932	2.4
119.08590	0.8
120.02056	0.7
120.08057	0.9
121.05666	1.0
121.06507	16.0
121.07370	1.0
123.04421	5.0
124.05166	2.3
125.05984	6.4
129.07011	1.8
129.10219	0.8
130.04123	1.2
131.04932	19.9
131.08556	1.1
132.05742	1.5
133.02827	1.9
133.06491	7.6
134.03630	3.3
135.04381	1.7
135.08043	2.1
137.05992	6.6
138.03123	1.2
138.06673	0.7
139.07512	2.1
141.06960	0.6
142.02602	2.0
143.04945	1.3
144.05711	1.1
145.02827	2.5
145.05402	0.5
145.06468	3.8
146.03650	1.3
147.04401	1.5
147.08000	2.4
148.05186	11.9
149.05980	27.7
151.02095	0.7
151.03891	2.9
151.07565	2.3
152.04675	0.9
153.05476	4.6
153.09097	7.7
155.06013	1.2
157.06459	1.2
159.04370	0.9
159.08025	1.8
160.05180	1.2
161.04785	1.0
161.05988	9.9
162.01308	1.4
163.03963	2.9
163.07542	22.5
165.05449	2.1
165.06749	0.6
165.09087	0.9
167.07042	57.5
168.07274	0.6
171.06505	1.9
173.05945	6.2
174.06706	1.0
175.03989	1.0
175.07527	3.8
176.04704	2.1
177.05467	20.3
177.08978	0.6
179.07103	1.3
180.07843	0.6
181.04956	69.8
181.08528	15.0
187.07480	3.0
189.05469	0.8
189.09106	0.8
190.00827	1.6
190.06229	1.3
191.07028	92.2
192.07681	1.9
193.04964	1.0
193.08603	2.9
195.06548	4.0
196.08852	0.8
197.07985	0.6
201.05446	2.0
203.06978	1.6
205.08612	3.9
207.06471	2.0
207.10211	2.0
209.08090	100.0
210.08553	1.4
213.05482	1.1
214.67743	0.7
217.08522	2.8
219.08116	1.4
219.10031	4.7
221.08057	1.7
223.04236	15.6
225.07504	2.1
231.06418	1.7
233.07965	5.2
234.06635	0.6
235.07706	0.9
235.09657	4.3
237.08992	0.9
241.08649	1.0
245.08118	2.0
246.64117	0.6
249.09135	0.7
251.09187	0.8
252.07823	1.8
263.09161	25.5
264.07733	0.8
265.08417	0.6
267.10236	4.0
279.09958	1.2
283.09579	0.7
293.08115	0.7
295.09567	1.3
297.11230	1.7
307.09637	1.0
311.08990	0.6
312.09042	2.5
313.10718	0.9
315.04630	0.6
324.09634	0.6
325.10663	3.4
329.13815	1.4
337.10397	1.2
339.12128	1.4
355.11667	0.7
357.13318	5.7
359.14853	0.8
367.11670	1.9
369.13422	1.3
371.15234	1.2
381.13388	1.1
385.12808	11.7
387.14352	1.4
399.14264	2.9
417.15430	20.5
417.20990	1.2
577.20905	1.0
609.23529	0.9
613.07281	0.7
676.33899	0.6
688.64325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01876	2.5
60.97935	0.5
65.03937	6.3
67.05502	2.0
68.99721	0.5
69.03423	1.7
70.06586	2.6
72.08163	0.9
74.00626	0.5
75.04469	2.3
77.03934	1.3
78.04709	2.3
79.01823	0.6
79.05499	5.1
81.03418	2.1
81.07070	1.4
82.04186	1.4
84.04488	0.6
84.08132	1.1
85.02914	5.5
86.09705	1.7
89.03933	1.0
89.06069	0.6
91.05484	10.9
93.03409	7.3
93.07048	3.5
95.04970	5.2
97.06528	2.4
99.46011	0.5
102.04694	0.9
103.05468	19.6
105.03399	2.2
105.04511	1.2
105.06390	0.8
105.07034	8.9
106.04174	12.9
107.04960	11.7
109.06523	1.7
110.03655	2.4
111.04440	0.8
115.05444	5.5
116.06245	0.8
117.03382	1.2
117.07038	5.4
118.04182	4.8
119.04932	3.0
120.02086	0.7
120.05773	1.0
120.08088	0.8
121.06507	17.1
122.03605	0.6
122.07233	0.6
123.04447	5.0
123.08105	0.5
124.05202	2.8
125.05991	7.4
128.06230	1.1
129.06992	1.0
129.10201	0.6
130.04175	1.7
130.07845	0.5
131.04936	23.9
131.08525	0.7
132.05701	2.1
133.02831	2.5
133.06493	9.5
134.03639	3.3
135.04428	2.1
135.08099	1.6
136.05182	0.6
137.05981	6.6
138.03127	0.9
138.06728	1.0
139.07532	1.9
142.02635	1.6
143.04929	1.8
143.06004	0.7
144.05661	1.8
145.02831	1.6
145.06487	5.6
146.03642	1.4
146.07251	0.7
147.04413	2.0
147.08046	2.2
148.05193	11.8
149.05988	26.3
151.02119	1.0
151.03923	3.3
151.07507	2.4
152.04657	1.6
153.05479	4.6
153.09100	7.1
155.05956	1.1
155.07079	0.9
157.06473	1.8
159.04391	1.1
159.08058	2.4
160.05185	1.7
161.05986	10.4
162.01373	1.6
162.06750	1.1
163.03917	2.6
163.07542	24.0
165.05446	1.8
165.09109	0.7
166.02643	0.7
166.06210	0.7
167.07047	64.1
168.07391	1.0
171.04443	0.6
171.06529	2.0
172.09822	0.5
173.05988	6.8
174.06711	0.9
175.03917	1.1
175.07570	4.1
176.04686	3.5
177.05461	19.1
177.09050	1.0
178.06284	0.8
179.01633	1.3
179.07008	1.7
181.04961	79.0
181.08522	13.9
182.05315	1.2
185.05920	0.8
187.07582	3.4
189.05501	1.1
190.00848	1.4
190.06287	1.7
191.07031	100.0
192.07564	2.1
193.05028	1.4
193.08633	3.4
195.06531	4.4
197.08022	0.6
201.05452	1.8
202.06262	0.6
203.06995	3.2
205.06709	0.8
205.08554	3.5
207.06520	2.2
207.08336	0.8
207.10248	1.2
208.01939	1.9
209.08092	95.9
210.08459	1.2
213.05545	0.7
217.08569	2.6
219.06393	0.7
219.08215	0.8
219.10144	5.9
221.05992	0.8
221.08058	1.5
223.04233	21.8
225.07500	1.0
229.08612	1.0
229.26395	0.7
231.06500	1.6
233.08063	6.6
235.07523	1.8
235.09656	6.5
237.09132	1.0
241.08545	1.1
245.08073	2.2
247.07538	1.2
249.11340	0.7
250.06084	0.6
252.07867	0.7
257.08209	0.9
263.09161	28.3
264.07593	0.6
265.08508	1.0
267.10159	3.5
271.09726	0.5
277.08386	0.6
279.10037	1.3
281.08029	0.7
283.09790	0.6
289.10736	0.7
292.07343	1.0
293.08139	1.0
295.09674	1.0
297.11221	1.9
307.09540	1.9
308.10083	0.6
312.09000	3.4
323.08871	0.6
325.10858	3.3
327.12210	1.7
329.13940	0.8
330.10266	1.0
331.11783	0.9
337.10931	1.0
339.12170	1.6
353.10254	0.8
355.11633	1.3
357.13351	8.8
359.14575	1.0
367.11728	2.2
369.13248	1.3
371.14868	1.3
381.13174	1.4
385.12781	13.4
386.13123	0.6
387.14380	2.5
389.15799	0.9
399.14368	4.1
417.15442	21.6
418.15436	0.7
487.64957	0.5
591.16992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.01867	0.4
61.02919	0.2
65.03934	0.9
66.04713	0.3
67.05486	0.4
69.03428	0.5
69.63069	0.9
70.06593	1.0
72.08153	0.3
79.05522	0.8
81.03397	0.2
81.07047	0.4
81.32914	0.1
82.04191	0.2
84.04494	0.2
84.08146	0.4
85.02921	0.9
85.37993	0.1
86.09707	0.4
89.03928	0.2
91.05479	1.3
93.03403	0.2
93.07005	0.2
94.04189	2.4
95.04988	0.2
95.06187	0.1
97.02881	0.4
97.06545	0.2
103.05479	0.6
103.95130	0.2
105.03413	0.2
105.07056	0.3
106.04178	0.2
107.04944	0.9
108.02127	0.2
109.06503	0.2
110.03672	0.3
110.07172	0.2
111.04448	0.2
115.05471	1.7
117.07008	1.7
119.04960	0.5
121.06481	0.2
122.03658	5.4
123.04456	0.6
125.05994	0.3
127.05452	0.2
129.10255	0.4
130.04991	0.1
131.04936	0.5
133.06505	0.3
137.05981	100.0
138.03198	0.2
138.06339	1.1
140.03548	0.2
142.02614	0.3
143.04926	4.3
145.02904	0.3
145.06479	2.1
147.04414	0.4
147.08018	0.3
151.03928	4.0
151.05038	0.3
151.07559	0.3
152.04756	0.2
153.05453	0.3
155.04984	0.1
155.06015	0.8
160.05266	0.1
161.05981	0.6
163.03906	0.3
163.07596	0.4
164.22217	0.2
167.07045	11.8
168.07347	0.2
171.04440	0.4
171.06526	0.4
173.05981	3.7
175.07550	1.2
177.05467	1.0
179.07108	0.3
181.04962	13.6
182.05318	0.2
187.07555	0.2
189.05588	0.2
190.06126	0.2
191.07037	0.5
193.08649	0.2
203.07016	1.2
205.08620	2.1
206.99654	0.1
209.08026	0.2
211.09671	0.2
217.08371	0.2
221.08179	0.4
233.08049	0.9
235.07512	0.3
235.09650	2.0
277.08511	0.2
295.09637	0.2
325.10638	0.1
327.11880	0.2
339.12238	0.4
355.11606	0.8
357.13342	7.4
367.11768	0.2
369.13120	0.2
387.14389	65.1
388.14752	1.7
417.15399	0.2
549.19849	0.7
583.22333	0.2
620.25714	0.2
702.58502	0.2
745.27173	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05510	8.4
57.03425	1.2
57.07071	2.6
65.03934	1.2
67.05508	15.9
69.03419	2.1
69.07069	18.4
70.06578	1.9
70.63311	1.9
71.01341	0.9
73.02904	3.2
75.89091	0.7
77.03909	0.9
79.05495	10.8
81.06593	1.6
81.07059	26.8
83.01302	1.1
83.08617	6.1
85.02903	8.3
86.09719	1.1
91.05480	16.3
93.07044	24.3
95.04936	1.2
95.08611	52.9
95.41470	0.7
95.75858	0.8
97.02882	2.5
97.10188	3.9
99.00818	1.5
101.02356	3.9
103.05479	2.1
105.07034	37.8
107.04948	1.2
107.08596	34.9
109.10161	35.7
111.08074	1.8
111.11753	1.3
113.02374	5.7
117.07023	2.4
119.08587	50.5
121.06477	2.3
121.10149	25.2
123.11707	13.1
126.83534	0.8
131.03424	1.1
131.08569	6.6
132.09372	0.8
133.06587	0.8
133.10135	43.8
135.11693	17.1
137.05968	2.0
137.13245	3.4
141.01828	2.6
143.08563	2.2
145.02861	0.9
145.10133	11.1
147.11696	34.8
149.13268	18.8
151.11189	0.9
151.14673	1.1
157.10121	1.8
159.02879	3.2
159.11696	10.9
160.12370	0.8
161.13257	25.6
163.14828	35.4
165.05522	1.0
165.16396	1.2
167.07040	3.6
171.11540	0.9
173.13235	5.9
175.14833	73.2
176.15175	1.5
177.05457	2.1
177.16408	10.7
181.04942	2.4
185.13132	1.5
187.14832	17.9
189.16383	32.5
190.16612	1.0
191.07005	1.9
191.17960	40.8
199.14806	1.5
201.16385	10.3
203.17960	100.0
204.18231	1.5
205.19548	3.0
213.16441	2.3
215.17967	9.3
217.19533	7.1
221.19057	3.8
227.17853	1.7
229.19534	5.2
231.21065	7.1
235.07405	1.0
241.19507	2.7
243.21115	4.6
245.22769	2.4
255.21107	1.5
257.22607	3.5
269.22635	2.6
271.24188	2.7
283.24213	1.8
323.26978	0.8
351.30450	0.9
367.24924	0.8
393.35184	27.1
411.36105	1.0
417.15207	1.2
747.38623	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	735.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.4
55.01880	2.6
55.05506	1.7
57.03438	2.8
61.02920	1.6
65.03957	0.6
67.05508	3.5
68.99790	1.5
69.03091	0.7
69.03437	12.1
69.03815	0.6
69.07055	1.3
70.06601	3.7
71.04998	2.2
72.08152	1.4
73.02927	3.1
79.05492	2.5
81.03426	13.7
81.07056	6.3
83.01350	0.6
83.04968	0.5
83.08623	0.8
84.04495	0.6
84.08161	2.4
85.02911	23.0
86.09699	1.5
87.00831	9.2
87.04476	0.5
89.03903	0.5
91.03953	1.0
91.05492	4.0
93.07044	5.5
95.04974	1.1
95.08612	8.7
97.02905	8.0
97.06540	2.3
99.04456	5.4
100.11279	0.5
103.05463	1.2
105.01879	7.1
105.07037	5.9
107.04970	0.6
107.08592	4.9
109.02885	13.7
109.06519	1.8
109.10153	1.8
110.07179	0.5
111.08060	1.5
115.03918	0.8
115.20840	0.4
117.01868	1.5
117.03358	1.1
117.07019	1.5
119.04949	1.5
119.08598	2.6
120.08101	0.8
121.06495	2.9
121.10133	2.2
122.03629	0.5
123.04421	1.0
123.08082	11.3
125.09641	1.9
127.03927	20.1
128.06265	0.7
129.01837	1.7
129.07024	1.3
129.10240	1.0
131.04938	0.7
131.08595	3.2
133.02853	1.1
133.10139	3.6
135.04446	0.6
135.08083	0.8
137.05974	4.2
137.09618	1.0
139.07544	1.7
140.76476	0.4
141.06984	1.0
141.09077	0.6
142.07773	0.8
143.08580	3.3
145.02934	2.2
145.04982	6.8
145.06270	0.8
145.10143	4.3
147.02896	0.8
147.04430	0.5
147.08008	1.2
147.11676	1.3
149.05984	1.0
149.09637	2.3
151.11174	9.4
153.06926	0.6
155.08597	3.6
156.09311	0.5
157.10106	1.8
159.02910	9.2
159.08081	1.2
159.11697	0.9
161.05942	0.6
161.09572	0.8
161.13246	0.6
163.03964	0.9
163.07576	0.5
165.06931	0.7
167.07086	1.2
167.08543	1.5
167.10680	4.6
168.09351	0.8
169.10092	3.1
169.12227	1.4
171.08028	2.6
171.11729	1.5
173.09633	3.1
173.13266	0.9
175.07518	1.0
175.11243	0.7
177.05495	3.3
178.05768	0.7
178.07854	0.5
179.08591	1.7
180.09340	0.5
181.04971	1.1
181.10124	2.6
182.05342	0.6
182.10905	1.0
183.11696	2.0
185.09625	0.6
185.13310	1.6
187.07364	0.6
187.11179	0.7
189.09114	1.3
191.06883	0.5
191.10632	0.7
192.09332	0.6
193.10114	2.9
194.10918	0.6
195.08035	0.8
195.11649	4.2
196.12373	0.5
197.09651	1.9
197.13297	3.0
198.10220	0.5
199.11134	1.6
199.14763	0.6
201.05516	0.9
201.12869	0.6
205.10159	1.5
206.10942	0.6
207.06462	0.6
207.11693	1.7
209.09610	1.5
209.13263	2.6
210.10307	0.7
211.11209	1.7
211.14825	1.8
212.11938	0.6
213.03891	1.1
213.12663	2.1
217.10121	0.5
219.11763	1.1
221.09709	0.8
221.13301	1.3
222.14061	0.8
223.11212	3.4
223.14870	1.4
225.12752	4.6
227.14325	0.8
229.12173	0.7
231.04973	4.2
232.12488	1.0
235.11209	1.3
235.14806	3.0
236.12041	0.9
237.12720	1.1
237.16452	3.2
239.14262	2.4
247.14833	1.7
249.06233	1.0
250.13524	1.7
251.14339	0.7
253.15892	1.3
255.17461	1.1
257.13284	0.6
261.16550	0.7
263.14307	2.2
265.15863	5.3
267.17493	0.5
268.14636	0.5
273.16544	0.5
281.15369	1.7
283.16943	17.6
284.17563	0.6
293.19098	1.1
297.16269	0.5
299.16415	6.7
300.17151	0.6
301.17993	100.0
302.18390	2.7
303.19675	3.3
307.16977	0.8
311.20120	1.2
313.18173	0.6
317.18869	0.5
327.19595	0.9
329.20996	2.5
331.22632	0.6
335.20068	1.2
339.19717	1.3
350.22739	1.2
353.21149	2.7
354.21973	0.7
357.20728	1.3
359.23355	9.4
359.73175	2.4
371.22183	3.7
393.24307	1.4
409.27234	0.5
415.26413	1.3
416.13980	0.5
417.17368	0.8
433.27393	4.3
451.28479	36.4
452.28760	1.4
469.29572	29.1
470.29886	0.9
487.30612	10.4
530.30566	0.7
698.76575	0.5
735.35669	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
54.03474	0.1
55.05520	0.4
58.28090	0.1
59.21344	0.1
65.03963	0.1
70.06598	13.8
72.08160	4.2
74.02433	0.1
75.02313	0.1
77.03926	0.2
79.05494	0.2
82.06580	0.1
84.04511	3.9
84.08172	0.1
91.05475	0.8
93.07048	1.2
95.04990	0.1
98.06081	0.2
98.21662	0.2
99.09209	0.2
100.07638	0.4
103.05476	4.1
105.04558	0.2
108.62039	0.1
110.07179	0.2
115.05441	0.9
115.86576	0.1
116.04990	0.2
116.07104	0.1
117.07006	0.2
118.06554	2.2
118.08682	0.3
120.08114	100.0
121.08461	0.9
121.68630	0.1
123.63602	0.1
127.05386	0.1
128.07101	0.4
129.07010	0.2
130.06538	4.8
131.07370	0.2
132.08090	0.4
137.06035	0.1
140.04898	0.1
142.06531	1.4
143.07309	0.8
144.04445	0.2
144.06871	0.7
144.08081	5.9
145.02850	0.1
145.07614	9.8
146.06026	4.5
153.05574	0.2
153.62280	0.1
154.06526	12.3
155.07072	0.2
156.06833	0.5
156.08073	2.3
157.07422	0.2
158.08435	0.7
159.09198	0.7
160.07625	0.4
165.10252	5.9
166.20724	0.1
169.07622	15.9
170.06026	12.1
170.08133	0.6
171.09184	28.8
172.07602	0.2
172.09518	0.3
173.10754	0.7
175.08719	0.2
177.05484	0.3
181.09735	5.4
182.06013	0.4
184.06294	0.2
185.07120	0.4
186.09123	0.3
187.08743	0.2
188.07080	6.4
197.07117	3.6
198.05521	0.7
199.08690	1.2
199.12416	0.2
200.07118	0.1
205.09729	1.4
209.09235	3.8
215.08173	18.4
216.08871	1.0
217.09740	3.5
225.13974	0.3
227.11768	0.1
232.10803	0.4
235.37311	0.1
241.13394	0.4
243.07707	0.4
255.15097	0.1
268.14505	0.5
270.15991	0.6
271.14236	0.1
283.14386	0.2
286.15527	0.8
287.13934	2.4
314.14999	11.6
315.15216	0.3
316.16605	6.0
320.16025	0.8
328.16574	7.7
329.16919	0.1
336.15509	0.1
342.14407	0.6
343.12741	0.7
355.17786	0.2
356.11792	0.2
356.16064	3.0
359.23553	0.6
359.27136	0.1
360.15555	42.3
361.15891	1.0
364.14981	0.3
372.19330	0.2
373.18701	2.5
383.17007	0.2
386.17114	0.1
482.23727	0.3
510.23184	0.2
511.22128	0.2
528.24554	0.9
647.63062	0.1
731.46863	0.1
732.33545	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.3
55.01858	0.3
55.05504	1.0
56.05042	0.5
67.05495	0.3
67.81950	0.3
69.03438	0.5
70.06595	20.3
71.52080	0.4
72.08159	5.7
79.05505	0.5
81.03445	0.5
81.07069	0.6
82.06568	0.5
84.04509	4.6
84.08158	2.2
85.02895	0.9
86.09727	1.9
89.03961	0.4
91.05464	1.6
93.07037	1.2
95.04960	0.7
95.08597	0.3
97.02918	0.4
98.97600	0.3
100.07613	0.6
103.05466	4.8
105.07040	0.5
107.04946	0.7
109.02885	0.4
110.07166	0.9
115.05473	0.9
117.03364	1.0
117.07014	0.4
118.04212	0.3
118.06548	2.7
118.08599	0.4
119.04974	0.6
120.08110	100.0
121.06519	1.0
121.08458	1.0
124.07639	0.3
128.07056	1.1
129.10226	0.9
130.06538	4.6
132.08081	0.7
136.07565	0.3
137.05968	1.5
142.06564	1.5
143.07312	0.9
144.06960	0.4
144.08092	6.2
145.02847	3.3
145.07608	10.8
146.06029	5.2
147.04462	0.5
149.06038	0.5
151.03922	0.7
151.07561	0.5
154.06526	11.5
156.06879	0.5
156.08072	2.7
158.08434	0.6
159.09212	1.2
161.05914	0.4
163.03905	0.6
165.05493	0.4
165.09233	0.3
165.10260	6.7
166.08571	0.3
167.07069	2.6
169.07614	17.8
170.06012	14.6
170.08237	0.6
171.09184	28.9
173.10829	0.5
177.05470	5.8
179.07170	0.3
180.81514	0.3
181.05032	0.5
181.09740	5.6
185.07182	0.4
187.08769	0.3
188.07071	7.0
191.07068	0.5
197.07141	4.0
198.05571	0.6
199.08705	1.2
200.07141	0.4
205.09840	1.4
207.06554	0.4
209.09358	4.2
215.08167	19.4
216.08952	1.2
217.09723	3.5
232.10960	0.5
259.92520	0.3
268.14471	0.4
270.15982	0.7
286.15594	1.0
287.13916	2.6
314.14996	12.4
316.16544	6.7
320.16135	1.0
323.09207	0.3
328.16559	6.6
332.15942	0.4
341.23260	0.8
342.14319	0.5
343.12772	0.7
350.14444	0.5
351.08551	0.4
352.08862	0.4
356.16000	2.7
360.15546	47.3
361.15845	0.9
373.18802	2.7
383.11304	0.4
384.11490	0.7
511.22253	0.4
528.24457	1.1
539.22241	0.4
543.18939	0.6
575.21838	1.0
732.33618	6.3
733.34863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03937	3.1
55.01856	0.9
65.03935	2.7
66.04707	0.9
67.05495	1.2
67.55933	0.8
70.06593	0.9
77.03922	1.5
78.04707	1.0
79.05492	3.9
81.03426	4.9
81.07051	1.5
84.08132	1.1
84.90996	0.7
85.02909	1.1
89.03912	0.8
91.05486	28.8
93.03422	0.7
93.07048	7.9
94.04192	2.4
95.04975	3.6
98.33564	0.7
103.05467	10.4
105.03384	1.4
105.04534	1.1
105.07036	2.7
107.04971	6.0
108.00610	0.7
109.06508	1.4
110.03669	1.1
111.04391	0.8
115.05473	2.7
117.07016	2.1
118.04143	1.0
118.06581	1.5
119.04948	14.7
121.06515	55.5
122.03652	4.4
123.04415	3.5
124.05219	0.9
125.06037	1.0
128.06265	1.2
131.04942	4.6
131.08545	1.1
133.02858	14.2
133.06512	3.5
135.04405	2.2
136.07587	100.0
137.05991	58.7
145.02869	0.9
145.06505	2.5
146.06020	3.0
147.04373	1.6
148.05200	2.3
149.05975	3.2
150.03149	4.2
151.03873	2.0
151.07539	3.3
152.04807	0.8
152.07033	2.0
153.05498	3.1
154.02594	0.8
159.08070	0.8
160.05211	1.1
161.06067	4.1
163.03957	2.6
163.07555	4.8
164.04929	1.3
164.07086	24.2
165.05487	6.6
167.07054	30.9
168.05812	0.7
169.13971	0.7
173.05977	4.1
174.06770	1.6
175.07558	3.6
176.04750	0.8
177.05528	3.0
177.09192	1.2
178.08640	1.6
181.04965	19.6
181.08485	0.9
187.07576	2.0
188.08456	1.2
189.09128	8.8
191.03423	2.7
191.07040	22.3
193.04939	0.9
193.08630	2.0
195.06520	1.0
201.05489	1.1
201.09138	3.7
203.07004	3.8
203.10664	1.1
205.06799	0.7
205.08586	3.7
207.06462	0.9
207.10217	0.8
209.08131	1.1
217.08650	2.4
219.08275	1.2
219.10167	5.7
223.07469	1.0
233.08192	3.0
235.07588	1.5
235.09724	3.0
245.08139	0.8
249.11293	6.8
255.10205	2.6
263.09174	5.7
265.83878	0.7
267.10233	1.0
272.12891	4.2
283.09622	1.4
286.08600	1.1
297.11188	1.4
299.09354	3.5
300.12308	20.3
314.11325	1.5
315.12448	1.7
321.11340	1.0
323.12686	1.3
325.10870	1.7
328.11819	3.7
329.10349	1.3
336.10083	1.0
340.09393	1.0
351.12445	0.8
353.13934	1.1
355.15683	0.9
357.13312	2.2
365.13971	1.5
367.15421	2.2
369.13406	1.7
381.13577	1.2
385.12680	2.5
385.17044	3.4
386.79428	0.8
387.14999	0.8
399.14490	2.4
401.15857	0.9
417.15549	5.4
429.15829	1.2
467.75482	0.8
549.21210	0.9
550.18329	22.0
593.20032	1.3
730.28345	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	729.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78629	0.6
53.03938	1.4
55.01861	1.5
62.96559	0.5
63.72145	0.5
65.03947	9.7
67.05502	1.5
69.03419	2.2
69.64453	3.0
70.03753	0.6
70.06597	5.8
70.98736	0.6
72.08139	2.0
78.04706	1.7
79.05497	5.0
81.03402	1.5
82.04189	2.1
84.04490	0.6
84.08152	2.1
85.02914	6.1
86.09737	1.3
91.05487	6.3
93.03406	6.9
93.07042	0.5
94.04170	0.6
95.01325	1.6
95.04962	2.5
97.02882	2.0
97.06541	1.0
98.21532	0.7
103.05476	4.3
105.03374	0.8
105.04552	0.6
105.07037	6.1
106.04172	1.0
107.04958	6.6
108.02114	0.7
109.02840	0.8
109.06510	0.6
110.03666	10.0
110.07201	0.8
111.03722	0.9
111.04445	13.5
115.05460	3.3
116.06281	0.7
117.03387	0.9
117.07021	0.7
118.04175	1.4
119.04961	5.6
119.08577	1.0
120.08128	0.7
121.06503	1.2
122.03631	1.0
123.04428	3.2
124.05201	2.5
125.05997	15.3
127.03925	0.8
128.06216	2.1
129.07021	4.6
129.10274	0.8
130.04135	0.5
131.04915	4.1
131.08597	0.9
132.05704	1.0
133.02850	2.3
133.06493	4.0
134.06062	0.6
134.29535	0.6
135.04399	1.0
136.05179	1.3
136.07574	0.8
137.05986	10.7
138.03162	0.8
138.09184	0.5
144.05702	1.4
145.02846	1.6
145.04924	0.7
145.06488	2.1
147.04434	7.8
147.08040	1.9
148.05188	0.6
149.05965	2.6
151.03882	1.3
151.07549	1.6
152.04675	1.5
153.05476	65.9
154.05745	1.0
155.04874	0.9
155.06033	0.6
156.05698	1.0
157.06438	0.9
159.08044	6.7
159.09258	0.6
160.05139	1.5
161.05981	8.3
163.03926	1.2
163.07513	2.8
165.05475	0.9
165.06952	1.1
166.08667	1.2
167.07050	39.8
169.06427	0.6
171.04407	1.2
171.08000	0.6
172.05205	1.2
173.05968	0.7
175.03972	0.7
175.07550	9.5
177.05525	5.7
177.06967	1.0
178.07829	1.6
179.07083	4.2
179.08466	0.9
181.04976	1.2
181.06500	0.6
184.05176	1.3
185.05984	2.1
186.06810	2.6
187.07547	10.2
188.03462	1.2
189.05437	4.3
189.07037	2.7
189.08997	1.1
190.07784	4.2
191.07021	5.5
191.08592	4.3
193.06633	1.0
194.07365	0.6
195.08012	0.9
198.06747	1.4
199.07555	4.8
201.05589	1.2
202.07835	2.3
203.06993	0.8
203.08647	3.7
204.05746	0.5
204.09315	0.6
205.06558	2.9
205.08321	0.8
205.10246	0.7
206.07245	3.2
207.06468	1.5
207.08180	2.5
208.08859	1.0
214.06210	1.1
215.07034	2.5
215.08714	1.4
216.07813	8.7
217.06535	1.3
217.08482	0.8
218.07257	4.7
219.08067	9.3
220.08864	4.5
221.05957	2.1
221.09668	3.6
222.06683	0.7
223.07500	1.1
225.09117	0.8
229.06517	1.2
229.08578	7.5
231.08110	3.2
232.08821	1.6
233.05988	2.4
233.09634	4.1
234.06696	3.1
234.10301	0.8
235.07498	4.7
236.08357	7.3
237.09169	2.6
239.06960	1.1
243.08411	0.6
244.08604	0.5
245.06029	1.5
246.06831	2.3
247.07536	6.3
248.08339	5.2
249.05420	1.5
249.09135	5.7
250.06241	1.5
250.09854	1.7
251.07065	2.4
251.10706	11.2
253.08626	2.2
258.06915	0.6
259.07584	2.8
260.08295	1.5
261.05508	1.9
261.09100	4.6
262.06207	2.6
262.09982	1.3
263.07086	5.0
263.10632	1.9
264.07813	11.4
265.08652	10.0
265.11594	0.9
266.09229	1.8
273.09039	0.8
274.06201	1.2
275.07095	2.8
276.07840	8.6
277.08585	7.4
278.06305	0.9
278.09384	4.6
279.06885	0.9
279.10175	8.4
280.07727	0.7
280.10843	1.4
281.08389	1.2
281.11749	4.4
287.07104	0.9
288.07831	1.6
289.05646	0.7
289.08444	2.6
290.09384	2.0
291.06473	1.6
291.10184	4.2
292.07242	3.1
292.10794	1.4
293.08084	5.5
293.11472	1.2
294.08853	2.1
295.09705	1.4
296.10306	1.6
299.12994	0.6
304.07355	3.1
305.08087	2.1
306.08899	2.5
307.09647	38.7
308.10352	7.6
309.07666	1.1
309.11188	5.5
310.12012	0.6
311.09360	0.9
311.12491	2.5
319.09625	8.4
320.10410	1.9
321.07739	1.2
321.11084	5.6
322.11554	0.6
323.09198	1.0
323.12750	4.6
324.09784	1.8
324.13284	0.9
326.11417	1.2
336.13553	0.8
337.10654	1.8
338.11429	0.7
339.12283	100.0
340.12683	2.2
341.14194	8.9
351.12280	29.4
352.12878	2.2
353.13855	4.5
369.13330	2.9
370.13474	0.6
400.92682	0.6
499.17435	2.2
505.46405	0.6
624.17334	0.5
729.23059	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.6
52.58321	0.4
53.03959	0.9
55.01871	1.3
55.05523	0.7
57.03442	0.9
65.03944	11.7
66.04712	0.6
67.05501	1.8
69.03438	1.8
69.27499	3.0
69.27903	1.1
70.06599	6.8
72.08158	1.6
75.04495	0.5
78.04700	1.7
79.05497	5.2
81.03430	1.3
82.04195	2.7
84.04501	0.7
84.08150	2.3
85.02911	4.5
86.09703	2.4
87.04494	0.6
89.03904	0.9
91.05495	7.3
93.03412	7.7
93.07038	0.8
94.04159	0.9
95.01322	2.5
95.04961	2.0
97.02898	2.2
97.06496	0.7
100.61119	0.5
103.05473	3.9
105.03448	0.7
105.04507	0.9
105.07039	6.4
106.04201	1.2
107.04968	7.4
108.02097	0.9
109.02919	0.9
109.06462	0.5
110.03674	12.0
111.04453	12.4
112.04111	0.5
115.03995	0.5
115.05453	3.6
116.06268	1.0
117.03315	0.7
117.07025	1.3
118.04152	2.0
119.04940	4.9
119.08595	1.6
120.08170	0.6
121.02823	0.6
121.06524	1.6
122.03661	1.0
123.04415	3.5
124.05228	2.1
125.06003	17.5
125.66024	0.6
128.06232	1.8
129.06999	5.1
129.10272	0.8
130.04135	0.6
131.04950	4.3
131.08617	0.9
132.05714	1.7
133.02844	2.5
133.06500	4.1
135.04448	0.8
137.05984	9.1
138.03140	1.1
141.06979	0.8
144.05727	1.5
145.02879	1.1
145.06473	2.5
145.10062	0.6
147.04433	6.7
147.08049	2.2
148.05176	0.5
149.06012	1.6
151.03902	1.5
151.07555	1.7
152.04700	1.5
153.05476	75.3
154.05803	0.7
155.04924	1.4
155.07083	0.8
156.05655	0.8
157.06491	0.8
159.08049	6.0
159.09245	0.7
160.05235	1.3
160.99185	0.5
161.06006	7.6
163.03909	1.6
163.07526	2.2
164.04846	0.5
165.05466	1.4
165.06956	1.2
167.07054	52.1
169.06421	0.7
171.04424	1.2
171.07965	0.8
172.05179	2.8
173.05920	1.0
175.07561	10.5
176.04710	0.8
177.05489	4.1
178.07851	1.9
179.07048	4.9
179.08478	0.7
181.05003	1.0
181.06493	0.9
183.04559	0.5
184.05232	1.3
185.05989	2.0
186.06830	3.5
187.07538	12.5
187.10741	1.0
189.05470	4.5
189.07048	2.1
189.09010	0.7
190.06331	0.6
190.07774	3.1
191.03427	1.4
191.07098	3.8
191.08488	4.2
193.06583	0.7
193.10138	0.7
195.08110	1.3
198.06776	1.8
199.07571	4.7
201.05379	1.2
201.07083	0.7
202.07744	4.0
203.06949	0.8
203.08626	4.4
205.06509	3.7
205.10219	0.7
206.07358	3.6
207.06451	1.2
207.08109	1.8
208.08829	1.7
209.08102	1.5
213.05524	0.6
214.06255	1.1
215.07013	1.7
215.08734	1.2
216.07822	11.2
217.06531	1.6
218.07304	4.8
219.08073	9.4
220.08852	5.3
221.06122	2.4
221.09624	4.2
223.07549	1.9
223.11220	0.7
225.09288	0.7
229.06599	0.8
229.08597	9.0
230.07262	1.0
231.08066	4.2
232.08838	1.7
233.05981	3.1
233.09647	4.2
234.06775	3.5
234.10440	0.8
235.07570	6.4
236.08315	5.9
237.09050	3.1
238.10023	0.6
239.07188	1.2
243.08014	1.2
245.06036	1.3
245.09712	1.0
246.06834	3.0
247.07568	6.4
248.08339	4.9
249.05470	2.0
249.09091	7.0
250.06317	1.5
250.09874	2.3
251.06934	1.7
251.10692	13.8
253.08611	1.6
255.14653	0.7
259.07562	1.9
260.08282	2.4
261.05490	3.0
261.09180	4.7
262.06308	1.3
262.09912	1.3
263.07053	4.2
263.10510	1.1
264.07855	12.1
264.10724	1.0
265.08630	9.7
266.09378	1.3
267.10260	0.9
273.05780	0.7
273.09235	1.6
274.06213	0.8
275.07117	4.5
275.10345	0.7
276.07813	8.4
277.05618	0.9
277.08585	7.3
278.09396	4.0
279.06870	1.0
279.10138	9.4
280.07376	1.6
280.10760	1.2
281.08127	1.8
281.11752	5.3
287.07144	0.8
288.07898	1.5
289.05463	0.8
289.08597	4.1
290.05936	0.6
290.09320	2.0
291.06622	1.8
291.10208	4.6
292.07288	3.0
292.10556	1.0
293.08093	5.7
293.11682	1.4
294.08853	2.2
295.09518	1.1
296.10489	1.3
303.09576	0.7
304.07181	2.7
305.08133	2.4
305.11615	0.8
306.08710	2.5
307.09647	40.0
308.10416	7.5
309.07739	1.0
309.11182	7.7
310.12021	1.0
311.12601	2.9
319.09662	8.1
320.10297	2.1
321.11145	5.7
323.12750	5.7
324.09848	2.1
325.10767	0.6
325.14392	0.8
326.11444	1.5
336.09897	1.4
336.13528	0.7
337.10724	2.4
337.14200	0.7
339.12296	100.0
340.12799	2.2
341.13855	17.4
351.12280	29.9
352.12924	1.1
353.13943	5.8
369.13440	3.3
387.14572	0.8
461.20609	0.5
499.17538	1.5
501.18304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	1.9
57.03428	0.8
63.86834	0.4
65.03615	0.8
65.03943	11.4
67.05499	1.8
69.03426	1.8
69.46787	3.0
70.06600	4.8
72.08146	1.9
72.90972	0.5
77.03938	0.7
78.04711	1.2
79.05488	3.6
81.03413	1.4
82.04196	2.1
84.04505	0.9
84.08136	1.7
85.02905	4.1
86.09702	2.9
86.57287	0.4
89.03916	1.0
91.05490	5.9
93.03409	7.9
94.04179	1.0
95.01338	1.8
95.04977	2.0
97.02887	1.5
97.06512	0.7
103.05460	2.8
105.03406	0.5
105.04510	0.5
105.07040	5.5
106.04149	1.2
107.04960	6.1
108.02098	1.0
109.02885	0.7
109.06496	0.6
110.03661	11.1
110.07175	0.9
111.04442	12.5
115.05457	3.6
115.37843	0.5
116.64241	0.5
117.03376	1.2
118.04182	1.2
119.04947	5.1
119.08585	1.2
120.08105	1.1
120.63197	0.4
121.02872	0.6
121.06510	1.3
122.03671	0.8
123.04428	3.7
124.05212	1.5
125.05080	0.9
125.05994	14.5
127.03934	1.0
128.06235	1.6
129.07024	4.7
129.10252	1.4
130.04123	0.8
131.04939	5.2
131.08583	0.5
132.05702	1.6
133.02843	3.1
133.06493	4.0
134.03693	0.6
135.04375	0.7
136.05212	0.8
136.07530	0.9
137.05980	10.9
138.03114	1.6
138.09111	0.5
141.07001	0.6
143.04948	0.8
144.05705	1.0
145.02863	1.4
145.06462	1.9
146.03564	0.7
147.03358	0.8
147.04428	7.4
147.08046	1.7
148.05141	0.5
149.06013	1.5
151.03923	1.8
151.07549	2.0
152.04675	1.2
153.05472	67.8
154.05827	0.7
155.04907	1.1
156.05704	1.1
157.06526	0.8
159.08043	5.3
160.05194	1.4
161.06017	7.2
162.06744	0.7
163.03899	1.9
163.07553	2.3
165.05565	1.0
165.06963	1.0
167.07048	41.9
168.05728	0.5
169.06424	0.9
171.04411	1.2
171.08093	1.1
172.05202	2.0
173.05978	0.9
175.07552	9.5
176.04758	0.5
177.05505	4.0
178.07816	1.4
179.07077	4.5
179.08549	0.8
181.04956	1.0
181.06451	0.7
184.05202	1.0
185.05919	2.6
186.06757	2.7
187.07532	10.6
188.03452	1.1
189.05453	4.4
189.07056	2.4
189.09161	1.2
190.07771	2.5
191.07024	4.3
191.08566	4.3
192.09276	0.6
193.06480	1.1
193.08542	0.8
193.10187	0.8
194.07361	0.9
195.08009	1.0
198.06754	1.1
199.07538	4.2
201.05502	1.0
202.07765	2.8
203.06953	0.8
203.08586	3.7
204.09364	0.9
205.06476	2.8
206.07339	2.6
207.06458	1.1
207.08083	2.4
208.08815	0.7
209.07953	0.7
214.06261	1.1
215.07011	1.5
215.08734	0.9
216.07803	8.2
217.06538	1.1
217.08574	0.6
218.07286	4.6
219.08076	8.9
220.08876	4.6
221.06123	2.3
221.09720	3.4
222.06721	0.8
223.07590	1.1
225.09149	0.7
229.06514	0.5
229.08600	8.2
231.07997	4.2
232.08852	1.4
233.06015	2.6
233.09639	3.4
234.06764	3.9
235.07533	5.5
235.11209	0.6
236.08310	5.8
237.09033	2.3
239.07195	0.5
242.07243	0.5
243.08162	0.7
245.05957	1.5
245.09549	1.0
246.06810	2.5
247.07544	6.7
248.08376	4.3
249.05455	1.2
249.09094	6.3
250.06239	0.9
250.09868	1.6
251.07091	1.9
251.10666	11.7
252.07784	0.5
252.11160	0.6
253.08716	1.3
257.05917	0.6
258.06897	1.1
259.07541	2.1
260.08331	2.1
261.05521	2.2
261.09131	3.9
262.06262	2.1
262.09753	1.0
263.07071	4.7
263.10660	1.7
264.07840	12.2
265.08603	10.3
265.11609	0.7
266.09241	1.5
268.10864	0.5
273.05573	0.5
273.09171	0.7
274.06119	1.1
275.06985	3.4
276.07819	7.4
277.08582	5.8
278.09363	4.9
279.10126	8.2
280.07620	1.0
280.10938	1.6
281.08121	1.9
281.11758	4.8
282.08813	0.9
288.07797	1.5
289.05228	0.6
289.08530	3.5
290.06009	0.5
290.09241	2.1
291.06915	0.8
291.10165	4.0
291.46515	0.5
292.07297	3.1
292.10538	0.8
293.08078	5.4
293.11649	2.1
294.08841	1.6
295.09656	1.6
296.10291	0.9
304.07449	2.1
305.08084	2.1
305.11475	1.0
306.08844	2.6
307.09647	35.4
308.10370	7.6
309.07733	0.8
309.11099	5.6
310.12003	0.6
311.12805	2.1
319.09625	8.7
320.10464	2.3
321.07687	0.8
321.11185	5.1
323.09293	0.8
323.12732	5.1
324.09973	2.0
325.10773	0.6
325.14413	0.5
326.11401	1.0
336.09976	1.1
337.10571	2.2
339.12277	100.0
340.12811	2.4
341.14056	10.8
351.12265	29.2
352.12714	2.1
353.13843	5.2
369.13467	3.2
387.14227	0.8
497.82327	0.5
499.17310	2.1
521.02832	0.5
550.20044	0.5
714.23956	0.6
END